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 2vd4_1_A DATA FIRST_RESID 4 DATA SEQUENCE KALSAVILAA GKGTRMYSDL PKVLHTIAGK PMVKHVIDTA HQLGSENIHL DATA SEQUENCE IYGHGGDLMR THLANEQVNW VLQTEQLGTA HAVQQAAPFF KDNENIVVLY DATA SEQUENCE GDAPLITKET LEKLIEAKPE NGIALLTVNL DNPTGYGRII RENGNVVAIV DATA SEQUENCE EQKDANAEQL NIKEVNTGVM VSDGASFKKW LARVGNNNAQ GEYYLTDLIA DATA SEQUENCE LANQDNCQVV AVQATDVMEV EGANNRLQLA ALERYFQNKQ ASKLLLEGVM DATA SEQUENCE IYDPARFDLR GTLEHGKDVE IDVNVIIEGN VKLGDRVKIG TGCVLKNVVI DATA SEQUENCE GNDVEIKPYS VLEDSIVGEK AAIGPFSRLR PGAELAAETH VGNFVEIKKS DATA SEQUENCE TVGKGSKVNH LTYVGDSEIG SNCNIGAGVI TCNYDGANKF KTIIGDDVFV DATA SEQUENCE GSDTQLVAPV KVANGATIGA GTTITRDVGE NELVITRVAQ RHIQGWQRPI 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 4 K HA 0.000 nan 4.320 nan 0.000 0.191 4 K C 0.000 176.603 176.600 0.005 0.000 0.988 4 K CA 0.000 56.291 56.287 0.006 0.000 0.838 4 K CB 0.000 32.505 32.500 0.008 0.000 1.064 5 A N 0.501 123.325 122.820 0.007 0.000 2.366 5 A HA 0.567 4.888 4.320 0.001 0.000 0.250 5 A C -0.629 176.957 177.584 0.003 0.000 1.099 5 A CA -0.271 51.769 52.037 0.006 0.000 0.794 5 A CB 0.207 19.215 19.000 0.013 0.000 1.056 5 A HN 0.627 nan 8.150 nan 0.000 0.499 6 L N -0.203 121.018 121.223 -0.003 0.000 2.445 6 L HA 0.719 5.060 4.340 0.001 0.000 0.262 6 L C -0.394 176.468 176.870 -0.015 0.000 0.974 6 L CA 0.242 55.076 54.840 -0.011 0.000 0.822 6 L CB 2.257 44.308 42.059 -0.013 0.000 1.339 6 L HN 0.644 nan 8.230 nan 0.000 0.409 7 S N 1.912 117.594 115.700 -0.030 0.000 2.632 7 S HA 0.990 5.460 4.470 0.001 0.000 0.289 7 S C -1.120 173.448 174.600 -0.053 0.000 1.115 7 S CA -0.255 57.931 58.200 -0.025 0.000 0.889 7 S CB 1.871 65.099 63.200 0.047 0.000 1.116 7 S HN 0.961 nan 8.310 nan 0.000 0.486 8 A N 0.997 123.798 122.820 -0.032 0.000 2.374 8 A HA 0.844 5.165 4.320 0.001 0.000 0.317 8 A C -1.263 176.329 177.584 0.014 0.000 1.094 8 A CA -0.630 51.381 52.037 -0.043 0.000 0.765 8 A CB 1.106 20.078 19.000 -0.045 0.000 1.268 8 A HN 0.579 nan 8.150 nan 0.000 0.438 9 V N 2.541 122.433 119.914 -0.036 0.000 2.448 9 V HA 0.443 4.564 4.120 0.001 0.000 0.295 9 V C -0.524 175.518 176.094 -0.087 0.000 1.025 9 V CA -0.149 62.150 62.300 -0.002 0.000 0.859 9 V CB 1.269 33.081 31.823 -0.019 0.000 0.988 9 V HN 0.705 nan 8.190 nan 0.000 0.431 10 I N 5.510 126.032 120.570 -0.079 0.000 2.389 10 I HA 0.410 4.580 4.170 0.001 0.000 0.288 10 I C -0.508 175.551 176.117 -0.098 0.000 0.999 10 I CA -0.485 60.747 61.300 -0.113 0.000 1.129 10 I CB 1.741 39.686 38.000 -0.092 0.000 1.288 10 I HN 0.363 nan 8.210 nan 0.000 0.444 11 L N 6.513 127.646 121.223 -0.150 0.000 2.278 11 L HA 0.488 4.828 4.340 0.001 0.000 0.287 11 L C 0.711 177.598 176.870 0.027 0.000 1.072 11 L CA 0.034 54.832 54.840 -0.069 0.000 0.819 11 L CB 1.012 42.992 42.059 -0.131 0.000 1.176 11 L HN 0.799 nan 8.230 nan 0.000 0.435 12 A N 2.546 125.406 122.820 0.067 0.000 2.543 12 A HA 0.519 4.839 4.320 0.001 0.000 0.279 12 A C 1.087 178.761 177.584 0.150 0.000 0.917 12 A CA 0.340 52.437 52.037 0.100 0.000 1.036 12 A CB 0.413 19.453 19.000 0.066 0.000 1.227 12 A HN 0.703 nan 8.150 nan 0.000 0.503 13 A N -0.174 122.735 122.820 0.148 0.000 2.238 13 A HA 0.504 4.824 4.320 0.001 0.000 0.210 13 A C 1.353 179.073 177.584 0.225 0.000 1.179 13 A CA 0.719 52.855 52.037 0.165 0.000 0.827 13 A CB -0.349 18.720 19.000 0.114 0.000 0.856 13 A HN 0.953 nan 8.150 nan 0.000 0.488 14 G N -0.615 108.292 108.800 0.178 0.000 2.491 14 G HA2 0.284 4.244 3.960 0.001 0.000 0.242 14 G HA3 0.284 4.244 3.960 0.001 0.000 0.242 14 G C 0.630 175.571 174.900 0.068 0.000 1.266 14 G CA -0.031 45.148 45.100 0.132 0.000 0.844 14 G HN 0.365 nan 8.290 nan 0.000 0.571 15 K N 1.073 121.387 120.400 -0.143 0.000 2.155 15 K HA 0.080 4.400 4.320 0.001 0.000 0.203 15 K C 1.629 178.165 176.600 -0.107 0.000 1.052 15 K CA 0.916 57.044 56.287 -0.264 0.000 0.948 15 K CB -0.265 31.885 32.500 -0.582 0.000 0.728 15 K HN 1.048 nan 8.250 nan 0.000 0.448 16 G N 1.203 109.950 108.800 -0.089 0.000 2.333 16 G HA2 -0.245 3.716 3.960 0.001 0.000 0.296 16 G HA3 -0.245 3.716 3.960 0.001 0.000 0.296 16 G C 0.423 175.229 174.900 -0.157 0.000 1.059 16 G CA 0.556 45.608 45.100 -0.079 0.000 1.050 16 G HN 0.354 nan 8.290 nan 0.000 0.508 17 T N 0.253 114.685 114.554 -0.204 0.000 2.699 17 T HA -0.128 4.223 4.350 0.001 0.000 0.268 17 T C 2.443 176.792 174.700 -0.586 0.000 1.036 17 T CA 1.497 63.420 62.100 -0.295 0.000 1.147 17 T CB -0.123 68.612 68.868 -0.222 0.000 0.862 17 T HN 0.452 nan 8.240 nan 0.000 0.446 18 R N 0.676 120.878 120.500 -0.497 0.000 2.323 18 R HA 0.218 4.558 4.340 0.001 0.000 0.198 18 R C 1.765 177.780 176.300 -0.476 0.000 0.988 18 R CA 0.244 55.969 56.100 -0.626 0.000 1.041 18 R CB -0.296 29.861 30.300 -0.238 0.000 0.926 18 R HN 0.444 nan 8.270 nan 0.000 0.476 19 M N -0.886 118.491 119.600 -0.371 0.000 2.492 19 M HA -0.002 4.479 4.480 0.001 0.000 0.262 19 M C -0.127 176.154 176.300 -0.031 0.000 1.090 19 M CA 0.327 55.502 55.300 -0.208 0.000 1.110 19 M CB -0.492 31.947 32.600 -0.269 0.000 1.407 19 M HN 0.072 nan 8.290 nan 0.000 0.470 20 Y N 0.369 120.672 120.300 0.006 0.000 3.027 20 Y HA -0.217 4.333 4.550 0.001 0.000 0.195 20 Y C 0.530 176.461 175.900 0.052 0.000 1.381 20 Y CA 0.257 58.370 58.100 0.022 0.000 1.015 20 Y CB -1.939 36.528 38.460 0.011 0.000 1.329 20 Y HN 0.217 nan 8.280 nan 0.000 0.462 21 S N -0.675 115.108 115.700 0.137 0.000 2.570 21 S HA 0.449 4.919 4.470 0.001 0.000 0.286 21 S C 0.570 175.224 174.600 0.091 0.000 1.099 21 S CA -0.836 57.455 58.200 0.152 0.000 0.913 21 S CB 1.388 64.752 63.200 0.274 0.000 1.085 21 S HN 0.249 nan 8.310 nan 0.000 0.480 22 D N 1.652 122.092 120.400 0.065 0.000 2.317 22 D HA 0.159 4.799 4.640 0.001 0.000 0.211 22 D C 0.421 176.720 176.300 -0.001 0.000 0.966 22 D CA 0.633 54.654 54.000 0.034 0.000 0.876 22 D CB -0.025 40.793 40.800 0.030 0.000 0.927 22 D HN 0.420 nan 8.370 nan 0.000 0.519 23 L N 1.997 123.198 121.223 -0.037 0.000 2.418 23 L HA 0.250 4.590 4.340 0.001 0.000 0.265 23 L C -1.880 174.962 176.870 -0.047 0.000 1.143 23 L CA -1.727 53.035 54.840 -0.130 0.000 0.809 23 L CB 0.576 42.420 42.059 -0.358 0.000 1.124 23 L HN -0.160 nan 8.230 nan 0.000 0.456 24 P HA 0.046 nan 4.420 nan 0.000 0.274 24 P C -0.017 177.331 177.300 0.080 0.000 1.246 24 P CA -0.511 62.614 63.100 0.041 0.000 0.795 24 P CB 0.948 32.691 31.700 0.071 0.000 1.006 25 K N 0.861 121.339 120.400 0.131 0.000 2.044 25 K HA -0.147 4.173 4.320 0.001 0.000 0.210 25 K C 1.470 178.212 176.600 0.237 0.000 1.049 25 K CA 2.345 58.751 56.287 0.197 0.000 0.927 25 K CB -0.513 32.045 32.500 0.098 0.000 0.713 25 K HN 0.350 nan 8.250 nan 0.000 0.443 26 V N -1.104 118.892 119.914 0.137 0.000 3.623 26 V HA 0.053 4.173 4.120 0.001 0.000 0.271 26 V C 1.527 177.671 176.094 0.082 0.000 1.248 26 V CA 0.694 63.062 62.300 0.113 0.000 1.156 26 V CB -0.243 31.634 31.823 0.090 0.000 0.870 26 V HN 0.193 nan 8.190 nan 0.000 0.453 27 L N -0.417 120.818 121.223 0.021 0.000 2.509 27 L HA 0.213 4.553 4.340 0.001 0.000 0.222 27 L C 1.171 178.000 176.870 -0.069 0.000 1.123 27 L CA 0.031 54.840 54.840 -0.052 0.000 0.856 27 L CB -0.519 41.433 42.059 -0.178 0.000 0.985 27 L HN 0.418 nan 8.230 nan 0.000 0.456 28 H N 1.168 120.256 119.070 0.029 0.000 2.897 28 H HA 0.040 4.597 4.556 0.001 0.000 0.347 28 H C 0.407 175.759 175.328 0.039 0.000 1.068 28 H CA 0.515 56.582 56.048 0.033 0.000 1.426 28 H CB 0.661 30.435 29.762 0.021 0.000 1.410 28 H HN 0.088 nan 8.280 nan 0.000 0.597 29 T N 0.982 115.622 114.554 0.144 0.000 2.909 29 T HA 0.460 4.811 4.350 0.001 0.000 0.286 29 T C 0.301 175.041 174.700 0.066 0.000 1.002 29 T CA -0.935 61.224 62.100 0.099 0.000 1.074 29 T CB 1.096 70.011 68.868 0.078 0.000 0.984 29 T HN 0.263 nan 8.240 nan 0.000 0.495 30 I N 1.659 122.254 120.570 0.041 0.000 2.436 30 I HA 0.496 4.666 4.170 0.001 0.000 0.289 30 I C 0.944 177.056 176.117 -0.009 0.000 1.010 30 I CA -0.744 60.507 61.300 -0.081 0.000 1.098 30 I CB 0.663 38.424 38.000 -0.398 0.000 1.266 30 I HN 1.163 nan 8.210 nan 0.000 0.434 31 A N 4.910 127.734 122.820 0.006 0.000 2.745 31 A HA -0.094 4.226 4.320 0.001 0.000 0.296 31 A C 1.432 179.068 177.584 0.087 0.000 1.500 31 A CA 1.429 53.523 52.037 0.097 0.000 0.766 31 A CB -1.878 17.250 19.000 0.212 0.000 1.030 31 A HN 2.084 nan 8.150 nan 0.000 0.489 32 G N -1.708 107.128 108.800 0.061 0.000 2.179 32 G HA2 -0.228 3.733 3.960 0.001 0.000 0.260 32 G HA3 -0.228 3.733 3.960 0.001 0.000 0.260 32 G C -0.013 174.903 174.900 0.027 0.000 0.977 32 G CA 1.437 46.562 45.100 0.040 0.000 0.641 32 G HN 2.181 nan 8.290 nan 0.000 0.533 33 K N -0.445 119.976 120.400 0.035 0.000 2.426 33 K HA 0.676 4.996 4.320 0.001 0.000 0.251 33 K C -3.333 173.298 176.600 0.052 0.000 0.941 33 K CA -2.480 53.799 56.287 -0.014 0.000 0.808 33 K CB 2.870 35.275 32.500 -0.158 0.000 1.265 33 K HN -0.058 nan 8.250 nan 0.000 0.432 34 P HA -0.040 nan 4.420 nan 0.000 0.264 34 P C 0.768 178.155 177.300 0.144 0.000 1.179 34 P CA 0.230 63.381 63.100 0.084 0.000 0.763 34 P CB 0.386 32.123 31.700 0.062 0.000 0.806 35 M N 2.360 122.048 119.600 0.147 0.000 2.108 35 M HA -0.195 4.285 4.480 0.001 0.000 0.257 35 M C 1.936 178.318 176.300 0.138 0.000 1.071 35 M CA 1.873 57.260 55.300 0.146 0.000 1.093 35 M CB -0.732 31.916 32.600 0.080 0.000 1.345 35 M HN 0.193 nan 8.290 nan 0.000 0.403 36 V N 0.287 120.252 119.914 0.085 0.000 2.515 36 V HA -0.250 3.870 4.120 0.001 0.000 0.250 36 V C 2.274 178.378 176.094 0.017 0.000 1.058 36 V CA 1.983 64.309 62.300 0.044 0.000 1.064 36 V CB -0.393 31.439 31.823 0.015 0.000 0.675 36 V HN 0.398 nan 8.190 nan 0.000 0.461 37 K N -0.422 119.980 120.400 0.003 0.000 2.097 37 K HA -0.178 4.143 4.320 0.001 0.000 0.205 37 K C 2.028 178.575 176.600 -0.087 0.000 1.050 37 K CA 1.796 58.044 56.287 -0.065 0.000 0.938 37 K CB -0.557 31.882 32.500 -0.101 0.000 0.718 37 K HN 0.668 nan 8.250 nan 0.000 0.442 38 H N -0.438 118.616 119.070 -0.026 0.000 2.319 38 H HA -0.102 4.454 4.556 0.001 0.000 0.299 38 H C 1.987 177.322 175.328 0.012 0.000 1.092 38 H CA 1.986 58.026 56.048 -0.014 0.000 1.302 38 H CB -0.078 29.652 29.762 -0.054 0.000 1.373 38 H HN 0.052 nan 8.280 nan 0.000 0.497 39 V N 1.120 121.111 119.914 0.128 0.000 2.379 39 V HA -0.190 3.930 4.120 0.001 0.000 0.245 39 V C 2.710 178.823 176.094 0.031 0.000 1.044 39 V CA 1.199 63.544 62.300 0.076 0.000 1.036 39 V CB -0.501 31.356 31.823 0.057 0.000 0.664 39 V HN 0.257 nan 8.190 nan 0.000 0.453 40 I N 0.439 121.005 120.570 -0.006 0.000 2.163 40 I HA -0.272 3.898 4.170 0.001 0.000 0.243 40 I C 2.309 178.429 176.117 0.004 0.000 1.085 40 I CA 1.767 63.044 61.300 -0.039 0.000 1.347 40 I CB -0.471 37.475 38.000 -0.091 0.000 1.044 40 I HN 0.319 nan 8.210 nan 0.000 0.408 41 D N 0.169 120.577 120.400 0.013 0.000 2.117 41 D HA -0.133 4.508 4.640 0.001 0.000 0.198 41 D C 2.238 178.593 176.300 0.093 0.000 0.982 41 D CA 1.482 55.514 54.000 0.053 0.000 0.828 41 D CB -0.376 40.438 40.800 0.023 0.000 0.967 41 D HN 0.267 nan 8.370 nan 0.000 0.464 42 T N 0.633 115.237 114.554 0.084 0.000 2.746 42 T HA -0.093 4.257 4.350 0.001 0.000 0.267 42 T C 2.003 176.737 174.700 0.058 0.000 1.039 42 T CA 1.390 63.539 62.100 0.081 0.000 1.142 42 T CB -0.233 68.692 68.868 0.094 0.000 0.866 42 T HN 0.183 nan 8.240 nan 0.000 0.444 43 A N 1.011 123.861 122.820 0.049 0.000 1.902 43 A HA -0.185 4.135 4.320 0.001 0.000 0.217 43 A C 2.032 179.643 177.584 0.045 0.000 1.181 43 A CA 2.218 54.273 52.037 0.030 0.000 0.623 43 A CB -0.925 18.078 19.000 0.005 0.000 0.818 43 A HN 0.632 nan 8.150 nan 0.000 0.443 44 H N -0.361 118.691 119.070 -0.029 0.000 2.353 44 H HA -0.071 4.485 4.556 0.001 0.000 0.300 44 H C 2.072 177.392 175.328 -0.014 0.000 1.090 44 H CA 2.149 58.179 56.048 -0.030 0.000 1.327 44 H CB -0.189 29.552 29.762 -0.036 0.000 1.383 44 H HN 0.574 nan 8.280 nan 0.000 0.508 45 Q N -0.385 119.385 119.800 -0.049 0.000 2.224 45 Q HA -0.040 4.300 4.340 0.001 0.000 0.203 45 Q C 2.206 178.158 176.000 -0.080 0.000 0.970 45 Q CA 1.013 56.765 55.803 -0.085 0.000 0.865 45 Q CB 0.111 28.851 28.738 0.005 0.000 0.922 45 Q HN 0.482 nan 8.270 nan 0.000 0.445 46 L N -1.099 120.094 121.223 -0.049 0.000 2.376 46 L HA -0.003 4.337 4.340 0.001 0.000 0.219 46 L C 1.074 177.908 176.870 -0.060 0.000 1.133 46 L CA 0.717 55.535 54.840 -0.036 0.000 0.816 46 L CB -0.008 42.044 42.059 -0.011 0.000 0.933 46 L HN 0.464 nan 8.230 nan 0.000 0.449 47 G N -0.750 107.986 108.800 -0.107 0.000 2.135 47 G HA2 -0.216 3.744 3.960 0.001 0.000 0.183 47 G HA3 -0.216 3.744 3.960 0.001 0.000 0.183 47 G C 0.152 175.010 174.900 -0.070 0.000 1.004 47 G CA -0.042 44.990 45.100 -0.113 0.000 0.677 47 G HN 0.189 nan 8.290 nan 0.000 0.512 48 S N -0.141 115.530 115.700 -0.049 0.000 2.537 48 S HA 0.248 4.718 4.470 0.001 0.000 0.286 48 S C 1.305 175.900 174.600 -0.008 0.000 1.299 48 S CA 0.495 58.682 58.200 -0.022 0.000 1.067 48 S CB 1.744 64.934 63.200 -0.016 0.000 0.864 48 S HN 0.514 nan 8.310 nan 0.000 0.494 49 E N 2.676 122.868 120.200 -0.013 0.000 2.051 49 E HA -0.050 4.301 4.350 0.001 0.000 0.189 49 E C -0.068 176.511 176.600 -0.035 0.000 0.979 49 E CA 0.668 57.064 56.400 -0.007 0.000 0.803 49 E CB 0.235 29.937 29.700 0.004 0.000 0.761 49 E HN 0.524 nan 8.360 nan 0.000 0.451 50 N N -0.013 118.643 118.700 -0.074 0.000 2.272 50 N HA 0.370 5.111 4.740 0.001 0.000 0.305 50 N C -1.021 174.324 175.510 -0.275 0.000 1.103 50 N CA -0.404 52.520 53.050 -0.211 0.000 0.791 50 N CB 2.014 40.333 38.487 -0.280 0.000 1.356 50 N HN -0.011 nan 8.380 nan 0.000 0.486 51 I N 1.877 122.224 120.570 -0.372 0.000 2.439 51 I HA 0.162 4.332 4.170 0.001 0.000 0.283 51 I C -0.505 175.356 176.117 -0.428 0.000 1.023 51 I CA -0.608 60.506 61.300 -0.309 0.000 1.100 51 I CB 1.123 38.999 38.000 -0.206 0.000 1.238 51 I HN 0.236 nan 8.210 nan 0.000 0.445 52 H N 6.621 125.627 119.070 -0.106 0.000 2.705 52 H HA 0.261 4.817 4.556 0.001 0.000 0.291 52 H C -0.634 174.610 175.328 -0.140 0.000 1.085 52 H CA -0.712 55.269 56.048 -0.113 0.000 1.357 52 H CB 1.975 31.743 29.762 0.010 0.000 1.419 52 H HN 0.317 nan 8.280 nan 0.000 0.462 53 L N 5.821 126.955 121.223 -0.149 0.000 2.259 53 L HA 0.197 4.537 4.340 0.001 0.000 0.288 53 L C -0.494 176.376 176.870 0.001 0.000 1.051 53 L CA -0.514 54.212 54.840 -0.189 0.000 0.824 53 L CB 0.146 41.896 42.059 -0.516 0.000 1.206 53 L HN 0.423 nan 8.230 nan 0.000 0.429 54 I N 7.002 127.605 120.570 0.054 0.000 2.363 54 I HA 0.160 4.330 4.170 0.001 0.000 0.292 54 I C -0.056 176.188 176.117 0.212 0.000 1.075 54 I CA -0.153 61.220 61.300 0.122 0.000 1.333 54 I CB -0.592 37.433 38.000 0.043 0.000 1.415 54 I HN 0.601 nan 8.210 nan 0.000 0.502 55 Y N 4.374 124.705 120.300 0.051 0.000 2.662 55 Y HA 0.937 5.487 4.550 0.001 0.000 0.335 55 Y C 0.313 176.256 175.900 0.072 0.000 1.066 55 Y CA -0.871 57.282 58.100 0.088 0.000 1.116 55 Y CB 1.547 40.110 38.460 0.172 0.000 1.308 55 Y HN 0.546 nan 8.280 nan 0.000 0.502 56 G N -0.582 108.165 108.800 -0.088 0.000 3.432 56 G HA2 0.063 4.024 3.960 0.001 0.000 0.124 56 G HA3 0.063 4.024 3.960 0.001 0.000 0.124 56 G C -0.737 174.067 174.900 -0.159 0.000 1.237 56 G CA -0.485 44.469 45.100 -0.244 0.000 1.347 56 G HN 0.757 nan 8.290 nan 0.000 0.654 57 H N 1.276 120.356 119.070 0.015 0.000 2.897 57 H HA 0.348 4.905 4.556 0.001 0.000 0.347 57 H C 1.519 176.881 175.328 0.057 0.000 1.068 57 H CA 1.440 57.505 56.048 0.028 0.000 1.426 57 H CB 0.654 30.433 29.762 0.028 0.000 1.410 57 H HN 1.164 nan 8.280 nan 0.000 0.597 58 G N 2.430 111.323 108.800 0.154 0.000 2.305 58 G HA2 -0.310 3.651 3.960 0.001 0.000 0.287 58 G HA3 -0.310 3.651 3.960 0.001 0.000 0.287 58 G C 1.413 176.382 174.900 0.115 0.000 1.036 58 G CA 0.746 45.904 45.100 0.097 0.000 0.887 58 G HN 0.912 nan 8.290 nan 0.000 0.505 59 G N 0.185 109.063 108.800 0.130 0.000 2.476 59 G HA2 -0.271 3.689 3.960 0.001 0.000 0.218 59 G HA3 -0.271 3.689 3.960 0.001 0.000 0.218 59 G C 1.354 176.356 174.900 0.170 0.000 1.164 59 G CA 1.637 46.883 45.100 0.242 0.000 0.768 59 G HN 0.602 nan 8.290 nan 0.000 0.560 60 D N 0.178 120.620 120.400 0.069 0.000 2.144 60 D HA -0.044 4.597 4.640 0.001 0.000 0.199 60 D C 2.623 178.932 176.300 0.014 0.000 0.984 60 D CA 0.567 54.577 54.000 0.018 0.000 0.834 60 D CB -0.263 40.543 40.800 0.009 0.000 0.955 60 D HN 0.344 nan 8.370 nan 0.000 0.465 61 L N -0.428 120.800 121.223 0.008 0.000 2.093 61 L HA -0.125 4.215 4.340 0.001 0.000 0.208 61 L C 2.572 179.410 176.870 -0.052 0.000 1.085 61 L CA 0.553 55.357 54.840 -0.060 0.000 0.755 61 L CB -0.345 41.602 42.059 -0.187 0.000 0.904 61 L HN 0.126 nan 8.230 nan 0.000 0.435 62 M N -0.327 119.290 119.600 0.029 0.000 2.080 62 M HA -0.208 4.272 4.480 0.001 0.000 0.260 62 M C 2.423 178.809 176.300 0.143 0.000 1.068 62 M CA 1.820 57.200 55.300 0.134 0.000 1.109 62 M CB -1.087 31.680 32.600 0.280 0.000 1.342 62 M HN 0.250 nan 8.290 nan 0.000 0.405 63 R N -0.349 120.089 120.500 -0.103 0.000 2.092 63 R HA -0.098 4.242 4.340 0.001 0.000 0.231 63 R C 2.239 178.470 176.300 -0.116 0.000 1.119 63 R CA 1.987 57.855 56.100 -0.387 0.000 0.970 63 R CB -0.925 29.077 30.300 -0.497 0.000 0.864 63 R HN 0.579 nan 8.270 nan 0.000 0.440 64 T N -1.789 112.778 114.554 0.021 0.000 2.809 64 T HA -0.092 4.259 4.350 0.001 0.000 0.260 64 T C 1.589 176.365 174.700 0.127 0.000 1.039 64 T CA 1.053 63.198 62.100 0.075 0.000 1.141 64 T CB -0.367 68.570 68.868 0.116 0.000 0.869 64 T HN 0.239 nan 8.240 nan 0.000 0.437 65 H N 1.048 120.123 119.070 0.008 0.000 2.495 65 H HA 0.358 4.915 4.556 0.001 0.000 0.287 65 H C 1.250 176.601 175.328 0.038 0.000 1.033 65 H CA 0.581 56.639 56.048 0.017 0.000 1.307 65 H CB -0.192 29.579 29.762 0.016 0.000 1.401 65 H HN 0.342 nan 8.280 nan 0.000 0.555 66 L N -0.601 120.750 121.223 0.213 0.000 3.202 66 L HA 0.396 4.736 4.340 0.001 0.000 0.278 66 L C 1.738 178.750 176.870 0.237 0.000 1.268 66 L CA -0.035 54.923 54.840 0.196 0.000 1.034 66 L CB 0.446 42.640 42.059 0.224 0.000 1.407 66 L HN 0.138 nan 8.230 nan 0.000 0.581 67 A N 0.539 123.438 122.820 0.133 0.000 1.940 67 A HA -0.234 4.087 4.320 0.001 0.000 0.219 67 A C 1.907 179.547 177.584 0.093 0.000 1.176 67 A CA 2.086 54.170 52.037 0.079 0.000 0.631 67 A CB -0.369 18.628 19.000 -0.005 0.000 0.814 67 A HN 0.480 nan 8.150 nan 0.000 0.446 68 N N 0.130 118.863 118.700 0.056 0.000 2.383 68 N HA 0.019 4.759 4.740 0.001 0.000 0.192 68 N C -0.468 175.046 175.510 0.006 0.000 1.141 68 N CA 0.073 53.136 53.050 0.022 0.000 0.851 68 N CB 0.018 38.499 38.487 -0.009 0.000 0.976 68 N HN 0.323 nan 8.380 nan 0.000 0.465 69 E N 0.518 120.735 120.200 0.028 0.000 2.313 69 E HA 0.070 4.421 4.350 0.001 0.000 0.276 69 E C -0.215 176.336 176.600 -0.081 0.000 1.031 69 E CA -0.024 56.342 56.400 -0.058 0.000 0.857 69 E CB 0.628 30.266 29.700 -0.104 0.000 1.040 69 E HN 0.309 nan 8.360 nan 0.000 0.408 70 Q N 1.549 121.267 119.800 -0.138 0.000 2.837 70 Q HA 0.215 4.556 4.340 0.001 0.000 0.235 70 Q C 0.001 175.878 176.000 -0.205 0.000 1.348 70 Q CA -0.279 55.439 55.803 -0.142 0.000 0.990 70 Q CB -0.034 28.613 28.738 -0.151 0.000 1.570 70 Q HN 0.299 nan 8.270 nan 0.000 0.575 71 V N -1.268 118.485 119.914 -0.268 0.000 3.040 71 V HA 0.460 4.581 4.120 0.001 0.000 0.312 71 V C -0.672 175.175 176.094 -0.410 0.000 1.115 71 V CA -1.305 60.745 62.300 -0.417 0.000 0.998 71 V CB 2.247 33.682 31.823 -0.646 0.000 1.042 71 V HN 0.541 nan 8.190 nan 0.000 0.433 72 N N 2.047 120.505 118.700 -0.403 0.000 2.408 72 N HA 0.264 5.004 4.740 0.001 0.000 0.257 72 N C -1.302 174.046 175.510 -0.269 0.000 1.064 72 N CA -0.566 52.312 53.050 -0.287 0.000 0.952 72 N CB 0.578 38.874 38.487 -0.318 0.000 1.093 72 N HN 0.771 nan 8.380 nan 0.000 0.490 73 W N 4.131 125.364 121.300 -0.113 0.000 2.585 73 W HA 0.233 4.893 4.660 0.001 0.000 0.337 73 W C -0.289 176.319 176.519 0.149 0.000 1.226 73 W CA -0.596 56.719 57.345 -0.050 0.000 1.463 73 W CB 0.515 29.901 29.460 -0.122 0.000 1.458 73 W HN 0.125 nan 8.180 nan 0.000 0.458 74 V N 6.610 126.757 119.914 0.389 0.000 2.277 74 V HA 0.123 4.243 4.120 0.001 0.000 0.269 74 V C -0.199 176.063 176.094 0.281 0.000 1.036 74 V CA -0.978 61.493 62.300 0.285 0.000 0.821 74 V CB 0.492 32.409 31.823 0.156 0.000 1.052 74 V HN 0.224 nan 8.190 nan 0.000 0.462 75 L N 4.965 126.273 121.223 0.142 0.000 2.325 75 L HA 0.351 4.691 4.340 0.001 0.000 0.284 75 L C 0.240 176.996 176.870 -0.191 0.000 1.089 75 L CA 0.568 55.217 54.840 -0.318 0.000 0.836 75 L CB 0.861 42.735 42.059 -0.309 0.000 1.184 75 L HN 0.758 nan 8.230 nan 0.000 0.444 76 Q N 2.328 122.000 119.800 -0.214 0.000 2.296 76 Q HA 0.195 4.535 4.340 0.001 0.000 0.257 76 Q C 0.780 176.703 176.000 -0.128 0.000 0.942 76 Q CA 0.233 55.966 55.803 -0.118 0.000 0.939 76 Q CB 1.228 29.922 28.738 -0.072 0.000 1.198 76 Q HN 0.864 nan 8.270 nan 0.000 0.429 77 T N 0.370 114.883 114.554 -0.069 0.000 3.014 77 T HA 0.023 4.373 4.350 0.001 0.000 0.263 77 T C -0.085 174.585 174.700 -0.051 0.000 1.078 77 T CA 0.507 62.562 62.100 -0.075 0.000 1.135 77 T CB 0.070 68.912 68.868 -0.044 0.000 0.895 77 T HN 0.705 nan 8.240 nan 0.000 0.480 78 E N 0.575 120.785 120.200 0.016 0.000 2.331 78 E HA 0.382 4.732 4.350 0.001 0.000 0.275 78 E C -1.493 175.163 176.600 0.094 0.000 0.895 78 E CA -1.012 55.405 56.400 0.028 0.000 0.753 78 E CB 1.427 31.131 29.700 0.007 0.000 1.216 78 E HN 0.195 nan 8.360 nan 0.000 0.434 79 Q N 2.195 122.045 119.800 0.084 0.000 2.361 79 Q HA 0.260 4.600 4.340 0.001 0.000 0.250 79 Q C 0.105 176.151 176.000 0.077 0.000 1.023 79 Q CA 0.022 55.895 55.803 0.116 0.000 0.915 79 Q CB 0.789 29.598 28.738 0.118 0.000 1.238 79 Q HN 0.550 nan 8.270 nan 0.000 0.451 80 L N 1.380 122.661 121.223 0.097 0.000 3.069 80 L HA 0.419 4.759 4.340 0.001 0.000 0.271 80 L C 0.564 177.498 176.870 0.107 0.000 1.201 80 L CA -0.383 54.475 54.840 0.030 0.000 1.015 80 L CB 0.543 42.487 42.059 -0.191 0.000 1.371 80 L HN 0.807 nan 8.230 nan 0.000 0.574 81 G N -0.114 108.736 108.800 0.085 0.000 2.392 81 G HA2 -0.161 3.799 3.960 0.001 0.000 0.677 81 G HA3 -0.161 3.799 3.960 0.001 0.000 0.677 81 G C 0.433 175.397 174.900 0.106 0.000 1.334 81 G CA -0.180 44.919 45.100 -0.001 0.000 0.961 81 G HN 0.052 nan 8.290 nan 0.000 0.616 82 T N -1.737 112.872 114.554 0.093 0.000 2.867 82 T HA 0.221 4.571 4.350 0.001 0.000 0.268 82 T C 2.600 177.403 174.700 0.172 0.000 1.057 82 T CA 2.276 64.478 62.100 0.169 0.000 1.136 82 T CB -0.233 68.791 68.868 0.261 0.000 0.874 82 T HN 1.936 nan 8.240 nan 0.000 0.466 83 A N 1.456 124.399 122.820 0.206 0.000 1.930 83 A HA -0.089 4.231 4.320 0.001 0.000 0.217 83 A C 2.198 179.869 177.584 0.145 0.000 1.175 83 A CA 1.907 54.072 52.037 0.213 0.000 0.627 83 A CB -1.160 18.002 19.000 0.269 0.000 0.815 83 A HN 0.719 nan 8.150 nan 0.000 0.443 84 H N 0.110 119.205 119.070 0.041 0.000 2.353 84 H HA 0.054 4.611 4.556 0.001 0.000 0.300 84 H C 2.112 177.423 175.328 -0.028 0.000 1.090 84 H CA 1.786 57.800 56.048 -0.057 0.000 1.327 84 H CB -0.256 29.466 29.762 -0.067 0.000 1.383 84 H HN 0.374 nan 8.280 nan 0.000 0.508 85 A N -0.055 122.734 122.820 -0.052 0.000 1.877 85 A HA -0.112 4.208 4.320 0.001 0.000 0.216 85 A C 2.686 180.205 177.584 -0.108 0.000 1.186 85 A CA 1.754 53.731 52.037 -0.100 0.000 0.620 85 A CB -0.947 18.060 19.000 0.012 0.000 0.822 85 A HN 0.329 nan 8.150 nan 0.000 0.443 86 V N -0.041 119.847 119.914 -0.043 0.000 2.407 86 V HA -0.292 3.829 4.120 0.001 0.000 0.248 86 V C 2.657 178.686 176.094 -0.107 0.000 1.055 86 V CA 2.195 64.474 62.300 -0.035 0.000 1.049 86 V CB -0.812 31.024 31.823 0.020 0.000 0.662 86 V HN 0.748 nan 8.190 nan 0.000 0.455 87 Q N -0.620 119.105 119.800 -0.124 0.000 2.226 87 Q HA -0.227 4.114 4.340 0.001 0.000 0.204 87 Q C 2.329 178.156 176.000 -0.288 0.000 0.975 87 Q CA 1.171 56.857 55.803 -0.194 0.000 0.866 87 Q CB -0.002 28.654 28.738 -0.137 0.000 0.915 87 Q HN 0.615 nan 8.270 nan 0.000 0.440 88 Q N -0.718 118.906 119.800 -0.293 0.000 2.181 88 Q HA -0.147 4.193 4.340 0.001 0.000 0.205 88 Q C 1.696 177.600 176.000 -0.161 0.000 0.980 88 Q CA 1.479 57.143 55.803 -0.232 0.000 0.862 88 Q CB -0.099 28.521 28.738 -0.197 0.000 0.905 88 Q HN 0.452 nan 8.270 nan 0.000 0.429 89 A N 0.255 122.938 122.820 -0.229 0.000 2.147 89 A HA 0.282 4.602 4.320 0.001 0.000 0.211 89 A C 2.231 179.291 177.584 -0.874 0.000 1.160 89 A CA 0.862 52.730 52.037 -0.280 0.000 0.781 89 A CB -0.168 18.700 19.000 -0.221 0.000 0.842 89 A HN 0.291 nan 8.150 nan 0.000 0.475 90 A N 1.164 123.305 122.820 -1.132 0.000 1.978 90 A HA -0.055 4.266 4.320 0.001 0.000 0.220 90 A C 0.012 176.997 177.584 -0.998 0.000 1.170 90 A CA 1.834 52.893 52.037 -1.629 0.000 0.636 90 A CB -1.549 17.002 19.000 -0.749 0.000 0.810 90 A HN 0.433 nan 8.150 nan 0.000 0.448 91 P HA -0.116 nan 4.420 nan 0.000 0.221 91 P C 0.511 177.386 177.300 -0.708 0.000 1.145 91 P CA 0.910 63.579 63.100 -0.718 0.000 0.795 91 P CB -0.157 31.023 31.700 -0.868 0.000 0.775 92 F N -2.812 116.948 119.950 -0.316 0.000 2.727 92 F HA 0.215 4.742 4.527 0.001 0.000 0.302 92 F C 1.047 176.901 175.800 0.090 0.000 1.097 92 F CA -0.518 57.426 58.000 -0.093 0.000 1.330 92 F CB -0.837 38.153 39.000 -0.017 0.000 1.084 92 F HN -0.199 nan 8.300 nan 0.000 0.578 93 F N 1.855 121.806 119.950 0.001 0.000 2.495 93 F HA 0.162 4.689 4.527 0.001 0.000 0.365 93 F C 0.917 176.740 175.800 0.038 0.000 1.090 93 F CA -0.941 57.071 58.000 0.021 0.000 1.235 93 F CB 0.399 39.385 39.000 -0.024 0.000 1.119 93 F HN -0.259 nan 8.300 nan 0.000 0.562 94 K N 2.681 123.231 120.400 0.249 0.000 2.326 94 K HA -0.004 4.316 4.320 0.001 0.000 0.275 94 K C 0.353 177.024 176.600 0.118 0.000 1.018 94 K CA -0.536 55.837 56.287 0.143 0.000 0.962 94 K CB 0.755 33.319 32.500 0.107 0.000 0.953 94 K HN 0.539 nan 8.250 nan 0.000 0.475 95 D N 1.869 122.315 120.400 0.078 0.000 2.123 95 D HA -0.147 4.494 4.640 0.001 0.000 0.196 95 D C 0.408 176.729 176.300 0.035 0.000 0.992 95 D CA 1.661 55.692 54.000 0.050 0.000 0.833 95 D CB 0.019 40.831 40.800 0.020 0.000 0.954 95 D HN 0.525 nan 8.370 nan 0.000 0.455 96 N N 0.266 118.985 118.700 0.032 0.000 2.321 96 N HA 0.072 4.812 4.740 0.001 0.000 0.242 96 N C -0.402 175.122 175.510 0.023 0.000 1.141 96 N CA -0.199 52.863 53.050 0.020 0.000 0.864 96 N CB 0.680 39.175 38.487 0.013 0.000 1.100 96 N HN 0.324 nan 8.380 nan 0.000 0.510 97 E N -0.359 119.859 120.200 0.030 0.000 2.212 97 E HA 0.314 4.664 4.350 0.001 0.000 0.270 97 E C -0.727 175.879 176.600 0.009 0.000 0.956 97 E CA -0.920 55.492 56.400 0.020 0.000 0.825 97 E CB 0.941 30.657 29.700 0.027 0.000 1.167 97 E HN -0.068 nan 8.360 nan 0.000 0.400 98 N N 1.798 120.501 118.700 0.005 0.000 2.525 98 N HA 0.229 4.969 4.740 0.001 0.000 0.271 98 N C -0.618 174.872 175.510 -0.034 0.000 1.194 98 N CA -0.071 52.986 53.050 0.011 0.000 0.964 98 N CB 0.646 39.145 38.487 0.020 0.000 1.126 98 N HN 0.448 nan 8.380 nan 0.000 0.452 99 I N 1.527 122.084 120.570 -0.021 0.000 2.436 99 I HA 0.265 4.435 4.170 0.001 0.000 0.289 99 I C -0.218 175.887 176.117 -0.020 0.000 1.010 99 I CA -0.783 60.407 61.300 -0.183 0.000 1.098 99 I CB 1.574 39.184 38.000 -0.650 0.000 1.266 99 I HN 0.048 nan 8.210 nan 0.000 0.434 100 V N 7.782 127.658 119.914 -0.064 0.000 2.459 100 V HA 0.531 4.652 4.120 0.001 0.000 0.295 100 V C -0.505 175.555 176.094 -0.057 0.000 1.029 100 V CA -0.413 61.889 62.300 0.003 0.000 0.874 100 V CB 2.160 33.993 31.823 0.016 0.000 0.985 100 V HN 0.428 nan 8.190 nan 0.000 0.438 101 V N 8.244 128.152 119.914 -0.010 0.000 2.370 101 V HA 0.535 4.655 4.120 0.001 0.000 0.279 101 V C -0.061 175.973 176.094 -0.101 0.000 1.029 101 V CA -0.338 61.908 62.300 -0.089 0.000 0.870 101 V CB 1.220 33.020 31.823 -0.038 0.000 0.984 101 V HN 0.727 nan 8.190 nan 0.000 0.451 102 L N 4.446 125.536 121.223 -0.222 0.000 2.333 102 L HA 0.631 4.971 4.340 0.001 0.000 0.263 102 L C -1.378 175.239 176.870 -0.422 0.000 1.014 102 L CA -0.865 53.880 54.840 -0.158 0.000 0.820 102 L CB 2.413 44.453 42.059 -0.031 0.000 1.352 102 L HN 0.470 nan 8.230 nan 0.000 0.421 103 Y N -0.609 119.716 120.300 0.043 0.000 2.331 103 Y HA 0.320 4.870 4.550 0.001 0.000 0.338 103 Y C 1.175 177.097 175.900 0.037 0.000 0.992 103 Y CA -0.491 57.636 58.100 0.044 0.000 1.121 103 Y CB 1.835 40.323 38.460 0.048 0.000 1.184 103 Y HN 0.711 nan 8.280 nan 0.000 0.469 104 G N 1.013 109.882 108.800 0.115 0.000 2.509 104 G HA2 -0.214 3.747 3.960 0.001 0.000 0.218 104 G HA3 -0.214 3.747 3.960 0.001 0.000 0.218 104 G C 0.678 175.639 174.900 0.102 0.000 1.124 104 G CA 0.844 45.994 45.100 0.084 0.000 0.776 104 G HN 0.757 nan 8.290 nan 0.000 0.547 105 D N -0.296 120.182 120.400 0.129 0.000 2.388 105 D HA 0.387 5.027 4.640 0.001 0.000 0.221 105 D C 0.835 177.177 176.300 0.070 0.000 1.133 105 D CA 0.010 54.065 54.000 0.093 0.000 0.831 105 D CB 0.169 41.019 40.800 0.085 0.000 0.962 105 D HN 0.144 nan 8.370 nan 0.000 0.502 106 A N 1.824 124.699 122.820 0.092 0.000 3.105 106 A HA 0.432 4.752 4.320 0.001 0.000 0.336 106 A C -1.917 175.697 177.584 0.050 0.000 1.042 106 A CA -0.992 51.081 52.037 0.060 0.000 0.851 106 A CB 1.079 20.134 19.000 0.090 0.000 1.068 106 A HN -0.027 nan 8.150 nan 0.000 0.477 107 P HA -0.002 nan 4.420 nan 0.000 0.236 107 P C 0.871 178.163 177.300 -0.013 0.000 1.177 107 P CA 0.498 63.586 63.100 -0.020 0.000 0.773 107 P CB 0.241 31.833 31.700 -0.179 0.000 0.878 108 L N -1.070 120.160 121.223 0.011 0.000 2.592 108 L HA 0.157 4.497 4.340 0.001 0.000 0.227 108 L C 1.267 178.206 176.870 0.115 0.000 1.127 108 L CA -0.642 54.256 54.840 0.096 0.000 0.884 108 L CB -0.411 41.694 42.059 0.075 0.000 1.065 108 L HN -0.077 nan 8.230 nan 0.000 0.457 109 I N 1.609 122.230 120.570 0.086 0.000 2.752 109 I HA -0.085 4.085 4.170 0.001 0.000 0.289 109 I C 0.988 177.169 176.117 0.106 0.000 1.197 109 I CA 0.390 61.742 61.300 0.087 0.000 1.432 109 I CB 0.689 38.740 38.000 0.086 0.000 1.359 109 I HN 0.123 nan 8.210 nan 0.000 0.571 110 T N 3.705 118.317 114.554 0.097 0.000 2.909 110 T HA 0.267 4.617 4.350 0.001 0.000 0.286 110 T C 1.018 175.763 174.700 0.075 0.000 1.002 110 T CA -0.664 61.494 62.100 0.098 0.000 1.074 110 T CB 1.345 70.268 68.868 0.092 0.000 0.984 110 T HN 0.758 nan 8.240 nan 0.000 0.495 111 K N 0.993 121.436 120.400 0.072 0.000 2.089 111 K HA -0.253 4.067 4.320 0.001 0.000 0.210 111 K C 1.690 178.315 176.600 0.041 0.000 1.048 111 K CA 2.072 58.390 56.287 0.051 0.000 0.926 111 K CB -0.141 32.387 32.500 0.045 0.000 0.714 111 K HN 0.720 nan 8.250 nan 0.000 0.448 112 E N -0.263 119.963 120.200 0.043 0.000 2.072 112 E HA -0.106 4.245 4.350 0.001 0.000 0.191 112 E C 1.995 178.616 176.600 0.034 0.000 0.985 112 E CA 1.746 58.166 56.400 0.034 0.000 0.801 112 E CB -0.324 29.396 29.700 0.034 0.000 0.750 112 E HN 0.278 nan 8.360 nan 0.000 0.452 113 T N 0.688 115.267 114.554 0.041 0.000 2.746 113 T HA -0.064 4.287 4.350 0.001 0.000 0.267 113 T C 1.743 176.466 174.700 0.039 0.000 1.039 113 T CA 0.821 62.945 62.100 0.039 0.000 1.142 113 T CB -0.168 68.726 68.868 0.044 0.000 0.866 113 T HN 0.062 nan 8.240 nan 0.000 0.444 114 L N 0.429 121.678 121.223 0.042 0.000 2.156 114 L HA 0.003 4.344 4.340 0.001 0.000 0.208 114 L C 2.626 179.516 176.870 0.033 0.000 1.095 114 L CA 1.106 55.971 54.840 0.042 0.000 0.770 114 L CB -0.451 41.634 42.059 0.044 0.000 0.914 114 L HN 0.311 nan 8.230 nan 0.000 0.439 115 E N 0.299 120.515 120.200 0.027 0.000 2.077 115 E HA -0.211 4.140 4.350 0.001 0.000 0.193 115 E C 2.138 178.751 176.600 0.021 0.000 0.989 115 E CA 1.013 57.425 56.400 0.020 0.000 0.800 115 E CB 0.072 29.782 29.700 0.016 0.000 0.746 115 E HN 0.394 nan 8.360 nan 0.000 0.452 116 K N 0.453 120.867 120.400 0.023 0.000 2.097 116 K HA -0.146 4.174 4.320 0.001 0.000 0.205 116 K C 2.234 178.848 176.600 0.024 0.000 1.050 116 K CA 0.640 56.939 56.287 0.021 0.000 0.938 116 K CB -0.156 32.357 32.500 0.021 0.000 0.718 116 K HN 0.043 nan 8.250 nan 0.000 0.442 117 L N 1.649 122.890 121.223 0.030 0.000 2.017 117 L HA -0.152 4.188 4.340 0.001 0.000 0.208 117 L C 1.990 178.881 176.870 0.035 0.000 1.073 117 L CA 1.532 56.393 54.840 0.035 0.000 0.745 117 L CB -0.250 41.837 42.059 0.045 0.000 0.894 117 L HN 0.105 nan 8.230 nan 0.000 0.432 118 I N -0.602 119.987 120.570 0.033 0.000 2.179 118 I HA -0.293 3.877 4.170 0.001 0.000 0.242 118 I C 2.493 178.625 176.117 0.025 0.000 1.088 118 I CA 1.632 62.950 61.300 0.030 0.000 1.357 118 I CB -0.322 37.693 38.000 0.024 0.000 1.051 118 I HN 0.387 nan 8.210 nan 0.000 0.409 119 E N 1.087 121.299 120.200 0.020 0.000 2.153 119 E HA -0.211 4.139 4.350 0.001 0.000 0.194 119 E C 2.110 178.721 176.600 0.017 0.000 0.988 119 E CA 1.196 57.606 56.400 0.017 0.000 0.811 119 E CB 0.003 29.711 29.700 0.014 0.000 0.746 119 E HN 0.494 nan 8.360 nan 0.000 0.466 120 A N 0.824 123.656 122.820 0.020 0.000 2.119 120 A HA -0.048 4.272 4.320 0.001 0.000 0.216 120 A C 1.188 178.784 177.584 0.021 0.000 1.152 120 A CA 0.138 52.186 52.037 0.019 0.000 0.708 120 A CB -0.210 18.802 19.000 0.019 0.000 0.805 120 A HN 0.044 nan 8.150 nan 0.000 0.460 121 K N 1.881 122.296 120.400 0.026 0.000 2.402 121 K HA 0.145 4.466 4.320 0.001 0.000 0.285 121 K C -2.529 174.087 176.600 0.027 0.000 1.054 121 K CA -1.428 54.877 56.287 0.030 0.000 1.001 121 K CB 0.453 32.975 32.500 0.036 0.000 0.946 121 K HN 0.138 nan 8.250 nan 0.000 0.473 122 P HA 0.068 nan 4.420 nan 0.000 0.277 122 P C -0.775 176.544 177.300 0.032 0.000 1.240 122 P CA -0.329 62.787 63.100 0.027 0.000 0.798 122 P CB 0.595 32.312 31.700 0.028 0.000 0.979 123 E N 2.042 122.257 120.200 0.025 0.000 2.529 123 E HA -0.128 4.222 4.350 0.001 0.000 0.259 123 E C 0.249 176.867 176.600 0.031 0.000 0.966 123 E CA 0.258 56.671 56.400 0.021 0.000 0.937 123 E CB -0.318 29.391 29.700 0.015 0.000 0.923 123 E HN 0.330 nan 8.360 nan 0.000 0.468 124 N N 1.568 120.280 118.700 0.020 0.000 2.732 124 N HA -0.188 4.553 4.740 0.001 0.000 0.250 124 N C -0.121 175.464 175.510 0.125 0.000 1.097 124 N CA 1.178 54.242 53.050 0.022 0.000 0.812 124 N CB -1.286 37.211 38.487 0.017 0.000 1.148 124 N HN 0.580 nan 8.380 nan 0.000 0.572 125 G N -0.575 108.298 108.800 0.122 0.000 3.107 125 G HA2 0.833 4.794 3.960 0.001 0.000 0.232 125 G HA3 0.833 4.794 3.960 0.001 0.000 0.232 125 G C -0.422 174.561 174.900 0.138 0.000 1.339 125 G CA -0.590 44.610 45.100 0.166 0.000 1.033 125 G HN 0.110 nan 8.290 nan 0.000 0.567 126 I N 0.162 120.776 120.570 0.073 0.000 2.647 126 I HA 0.559 4.729 4.170 0.001 0.000 0.295 126 I C -0.091 176.041 176.117 0.025 0.000 1.078 126 I CA -0.985 60.336 61.300 0.034 0.000 1.048 126 I CB 2.434 40.422 38.000 -0.021 0.000 1.239 126 I HN 0.532 nan 8.210 nan 0.000 0.421 127 A N 6.116 128.958 122.820 0.036 0.000 2.260 127 A HA 0.727 5.048 4.320 0.001 0.000 0.314 127 A C -1.091 176.521 177.584 0.046 0.000 1.257 127 A CA -0.387 51.672 52.037 0.036 0.000 0.871 127 A CB 0.882 19.906 19.000 0.040 0.000 1.166 127 A HN 0.572 nan 8.150 nan 0.000 0.522 128 L N 3.269 124.513 121.223 0.035 0.000 2.296 128 L HA 0.615 4.955 4.340 0.001 0.000 0.286 128 L C -0.754 176.140 176.870 0.040 0.000 1.023 128 L CA -0.696 54.169 54.840 0.043 0.000 0.812 128 L CB 1.474 43.547 42.059 0.024 0.000 1.223 128 L HN 0.637 nan 8.230 nan 0.000 0.421 129 L N 5.233 126.489 121.223 0.054 0.000 2.319 129 L HA 0.563 4.904 4.340 0.001 0.000 0.280 129 L C 0.242 177.126 176.870 0.023 0.000 1.099 129 L CA 0.568 55.433 54.840 0.041 0.000 0.828 129 L CB 0.818 42.911 42.059 0.056 0.000 1.150 129 L HN 0.909 nan 8.230 nan 0.000 0.442 130 T N 2.065 116.623 114.554 0.006 0.000 2.927 130 T HA 0.786 5.137 4.350 0.001 0.000 0.286 130 T C -0.712 173.971 174.700 -0.028 0.000 1.040 130 T CA -0.831 61.262 62.100 -0.012 0.000 1.010 130 T CB 1.717 70.578 68.868 -0.011 0.000 1.177 130 T HN 0.524 nan 8.240 nan 0.000 0.546 131 V N 0.682 120.566 119.914 -0.051 0.000 2.851 131 V HA 0.498 4.619 4.120 0.001 0.000 0.307 131 V C -1.602 174.445 176.094 -0.077 0.000 1.129 131 V CA -1.024 61.234 62.300 -0.068 0.000 0.932 131 V CB 2.175 33.937 31.823 -0.101 0.000 1.024 131 V HN 1.062 nan 8.190 nan 0.000 0.426 132 N N 6.128 124.791 118.700 -0.062 0.000 2.422 132 N HA 0.638 5.379 4.740 0.001 0.000 0.264 132 N C -1.041 174.426 175.510 -0.072 0.000 1.063 132 N CA -0.298 52.719 53.050 -0.056 0.000 0.959 132 N CB 1.070 39.537 38.487 -0.034 0.000 1.087 132 N HN 0.528 nan 8.380 nan 0.000 0.483 133 L N 1.357 122.533 121.223 -0.079 0.000 2.346 133 L HA 0.367 4.707 4.340 0.001 0.000 0.274 133 L C 0.621 177.468 176.870 -0.040 0.000 1.007 133 L CA -0.814 53.976 54.840 -0.083 0.000 0.818 133 L CB 1.751 43.727 42.059 -0.138 0.000 1.284 133 L HN 0.501 nan 8.230 nan 0.000 0.424 134 D N 0.673 121.057 120.400 -0.027 0.000 2.149 134 D HA -0.096 4.545 4.640 0.001 0.000 0.201 134 D C 0.492 176.794 176.300 0.002 0.000 0.972 134 D CA 1.551 55.545 54.000 -0.010 0.000 0.835 134 D CB 0.253 41.050 40.800 -0.006 0.000 0.966 134 D HN 0.364 nan 8.370 nan 0.000 0.476 135 N N 0.512 119.218 118.700 0.010 0.000 2.706 135 N HA 0.119 4.859 4.740 0.001 0.000 0.240 135 N C -2.224 173.330 175.510 0.073 0.000 1.039 135 N CA -1.693 51.379 53.050 0.036 0.000 0.888 135 N CB 1.519 40.032 38.487 0.042 0.000 1.128 135 N HN -0.124 nan 8.380 nan 0.000 0.512 136 P HA 0.063 nan 4.420 nan 0.000 0.253 136 P C -0.337 177.113 177.300 0.250 0.000 1.260 136 P CA -0.001 63.185 63.100 0.144 0.000 0.800 136 P CB -0.158 31.583 31.700 0.068 0.000 1.162 137 T N 0.855 115.500 114.554 0.152 0.000 2.866 137 T HA 0.281 4.631 4.350 0.001 0.000 0.293 137 T C 1.527 176.216 174.700 -0.018 0.000 1.005 137 T CA 1.533 63.672 62.100 0.066 0.000 1.162 137 T CB -0.155 68.731 68.868 0.031 0.000 0.968 137 T HN 0.388 nan 8.240 nan 0.000 0.530 138 G N 2.453 111.179 108.800 -0.123 0.000 2.213 138 G HA2 -0.217 3.743 3.960 0.001 0.000 0.236 138 G HA3 -0.217 3.743 3.960 0.001 0.000 0.236 138 G C -0.126 174.501 174.900 -0.455 0.000 0.991 138 G CA -0.394 44.504 45.100 -0.336 0.000 0.629 138 G HN 0.690 nan 8.290 nan 0.000 0.517 139 Y N 0.659 120.938 120.300 -0.036 0.000 2.457 139 Y HA 0.573 5.123 4.550 0.001 0.000 0.333 139 Y C 1.198 177.071 175.900 -0.046 0.000 1.119 139 Y CA -0.305 57.770 58.100 -0.042 0.000 1.143 139 Y CB 1.450 39.888 38.460 -0.037 0.000 1.230 139 Y HN 0.261 nan 8.280 nan 0.000 0.469 140 G N 3.009 111.872 108.800 0.106 0.000 2.356 140 G HA2 0.221 4.182 3.960 0.001 0.000 0.273 140 G HA3 0.221 4.182 3.960 0.001 0.000 0.273 140 G C -0.265 174.657 174.900 0.037 0.000 1.213 140 G CA -0.759 44.359 45.100 0.031 0.000 0.955 140 G HN 0.327 nan 8.290 nan 0.000 0.454 141 R N 2.105 122.616 120.500 0.018 0.000 2.438 141 R HA 0.143 4.484 4.340 0.001 0.000 0.287 141 R C 0.306 176.605 176.300 -0.003 0.000 1.077 141 R CA -0.802 55.304 56.100 0.011 0.000 1.034 141 R CB 0.900 31.203 30.300 0.005 0.000 0.993 141 R HN 0.294 nan 8.270 nan 0.000 0.459 142 I N 4.890 125.458 120.570 -0.004 0.000 2.352 142 I HA 0.131 4.302 4.170 0.001 0.000 0.290 142 I C 0.475 176.585 176.117 -0.012 0.000 1.036 142 I CA -0.613 60.681 61.300 -0.010 0.000 1.336 142 I CB 0.385 38.380 38.000 -0.010 0.000 1.407 142 I HN 0.262 nan 8.210 nan 0.000 0.497 143 I N 7.273 127.834 120.570 -0.016 0.000 2.312 143 I HA 0.335 4.506 4.170 0.001 0.000 0.290 143 I C 0.594 176.702 176.117 -0.016 0.000 1.008 143 I CA -0.492 60.799 61.300 -0.016 0.000 1.226 143 I CB 0.499 38.487 38.000 -0.018 0.000 1.371 143 I HN 0.388 nan 8.210 nan 0.000 0.468 144 R N 5.154 125.647 120.500 -0.013 0.000 2.346 144 R HA 0.533 4.874 4.340 0.001 0.000 0.311 144 R C -0.475 175.819 176.300 -0.011 0.000 0.983 144 R CA -0.593 55.500 56.100 -0.012 0.000 0.880 144 R CB 1.804 32.098 30.300 -0.009 0.000 1.100 144 R HN 0.528 nan 8.270 nan 0.000 0.453 145 E N 3.134 123.327 120.200 -0.011 0.000 2.216 145 E HA 0.196 4.546 4.350 0.001 0.000 0.260 145 E C -0.441 176.155 176.600 -0.008 0.000 0.880 145 E CA -0.654 55.740 56.400 -0.009 0.000 0.765 145 E CB 1.162 30.856 29.700 -0.011 0.000 1.174 145 E HN 0.583 nan 8.360 nan 0.000 0.417 146 N N 1.672 120.368 118.700 -0.006 0.000 1.245 146 N HA -0.210 4.530 4.740 0.001 0.000 0.143 146 N C 0.697 176.205 175.510 -0.004 0.000 0.849 146 N CA 1.404 54.452 53.050 -0.004 0.000 0.956 146 N CB -1.054 37.431 38.487 -0.003 0.000 1.198 146 N HN 0.648 nan 8.380 nan 0.000 0.541 147 G N 0.653 109.452 108.800 -0.003 0.000 3.605 147 G HA2 0.407 4.367 3.960 0.001 0.000 0.277 147 G HA3 0.407 4.367 3.960 0.001 0.000 0.277 147 G C -0.310 174.588 174.900 -0.003 0.000 1.093 147 G CA -0.053 45.045 45.100 -0.002 0.000 0.821 147 G HN 0.507 nan 8.290 nan 0.000 0.532 148 N N -0.641 118.055 118.700 -0.006 0.000 2.272 148 N HA 0.479 5.220 4.740 0.001 0.000 0.305 148 N C -0.917 174.584 175.510 -0.016 0.000 1.103 148 N CA -0.799 52.245 53.050 -0.010 0.000 0.791 148 N CB 2.990 41.471 38.487 -0.010 0.000 1.356 148 N HN -0.176 nan 8.380 nan 0.000 0.486 149 V N 2.266 122.168 119.914 -0.021 0.000 2.405 149 V HA 0.020 4.141 4.120 0.001 0.000 0.264 149 V C 1.312 177.383 176.094 -0.038 0.000 1.048 149 V CA -0.178 62.105 62.300 -0.027 0.000 0.966 149 V CB 0.631 32.438 31.823 -0.028 0.000 1.015 149 V HN 0.709 nan 8.190 nan 0.000 0.477 150 V N 2.111 122.004 119.914 -0.035 0.000 3.471 150 V HA 0.717 4.837 4.120 0.001 0.000 0.258 150 V C 0.678 176.744 176.094 -0.046 0.000 1.192 150 V CA 0.820 63.096 62.300 -0.040 0.000 1.116 150 V CB -0.081 31.724 31.823 -0.030 0.000 0.792 150 V HN 0.917 nan 8.190 nan 0.000 0.459 151 A N -0.265 122.530 122.820 -0.041 0.000 2.608 151 A HA 0.795 5.116 4.320 0.001 0.000 0.292 151 A C -1.368 176.194 177.584 -0.037 0.000 1.066 151 A CA -0.578 51.433 52.037 -0.043 0.000 0.676 151 A CB 1.232 20.210 19.000 -0.038 0.000 1.277 151 A HN 0.246 nan 8.150 nan 0.000 0.413 152 I N 1.598 122.144 120.570 -0.040 0.000 2.390 152 I HA 0.384 4.554 4.170 0.001 0.000 0.283 152 I C -0.845 175.247 176.117 -0.040 0.000 1.016 152 I CA -0.784 60.496 61.300 -0.034 0.000 1.151 152 I CB 1.749 39.729 38.000 -0.033 0.000 1.293 152 I HN 0.319 nan 8.210 nan 0.000 0.458 153 V N 6.225 126.120 119.914 -0.032 0.000 2.350 153 V HA 0.260 4.380 4.120 0.001 0.000 0.276 153 V C 0.398 176.470 176.094 -0.037 0.000 1.028 153 V CA -0.770 61.508 62.300 -0.036 0.000 0.860 153 V CB 1.126 32.933 31.823 -0.027 0.000 0.990 153 V HN 0.564 nan 8.190 nan 0.000 0.453 154 E N 2.807 122.974 120.200 -0.055 0.000 2.392 154 E HA 0.041 4.391 4.350 0.001 0.000 0.259 154 E C 0.935 177.505 176.600 -0.051 0.000 1.108 154 E CA -0.182 56.180 56.400 -0.065 0.000 0.916 154 E CB 0.877 30.518 29.700 -0.098 0.000 0.989 154 E HN 0.675 nan 8.360 nan 0.000 0.432 155 Q N 2.860 122.628 119.800 -0.055 0.000 2.082 155 Q HA -0.272 4.068 4.340 0.001 0.000 0.211 155 Q C 1.711 177.685 176.000 -0.043 0.000 1.002 155 Q CA 2.867 58.641 55.803 -0.047 0.000 0.868 155 Q CB -0.167 28.530 28.738 -0.068 0.000 0.931 155 Q HN 0.583 nan 8.270 nan 0.000 0.414 156 K N -1.306 119.064 120.400 -0.051 0.000 2.362 156 K HA -0.112 4.209 4.320 0.001 0.000 0.200 156 K C 0.576 177.154 176.600 -0.036 0.000 1.046 156 K CA 1.527 57.789 56.287 -0.043 0.000 0.952 156 K CB 0.114 32.587 32.500 -0.046 0.000 0.753 156 K HN 0.192 nan 8.250 nan 0.000 0.466 157 D N 0.984 121.362 120.400 -0.038 0.000 2.392 157 D HA 0.132 4.772 4.640 0.001 0.000 0.206 157 D C 0.264 176.548 176.300 -0.026 0.000 1.046 157 D CA 0.231 54.212 54.000 -0.032 0.000 0.865 157 D CB 0.406 41.183 40.800 -0.037 0.000 0.969 157 D HN 0.341 nan 8.370 nan 0.000 0.509 158 A N 1.548 124.353 122.820 -0.025 0.000 2.462 158 A HA 0.305 4.626 4.320 0.001 0.000 0.243 158 A C 0.631 178.206 177.584 -0.016 0.000 1.076 158 A CA -0.436 51.590 52.037 -0.019 0.000 0.773 158 A CB 0.053 19.044 19.000 -0.015 0.000 1.010 158 A HN 0.216 nan 8.150 nan 0.000 0.493 159 N N 1.432 120.124 118.700 -0.013 0.000 2.364 159 N HA 0.451 5.191 4.740 0.001 0.000 0.264 159 N C 1.066 176.571 175.510 -0.009 0.000 1.263 159 N CA 0.130 53.173 53.050 -0.011 0.000 0.959 159 N CB 0.278 38.758 38.487 -0.010 0.000 1.204 159 N HN 0.557 nan 8.380 nan 0.000 0.550 160 A N -0.233 122.582 122.820 -0.008 0.000 1.873 160 A HA -0.302 4.018 4.320 0.001 0.000 0.218 160 A C 1.939 179.520 177.584 -0.005 0.000 1.193 160 A CA 2.224 54.257 52.037 -0.006 0.000 0.629 160 A CB -1.366 17.631 19.000 -0.005 0.000 0.826 160 A HN 0.929 nan 8.150 nan 0.000 0.447 161 E N -0.530 119.667 120.200 -0.005 0.000 2.150 161 E HA -0.236 4.114 4.350 0.001 0.000 0.193 161 E C 1.959 178.557 176.600 -0.004 0.000 0.985 161 E CA 1.235 57.633 56.400 -0.004 0.000 0.814 161 E CB -0.426 29.271 29.700 -0.005 0.000 0.752 161 E HN 0.757 nan 8.360 nan 0.000 0.466 162 Q N 0.627 120.424 119.800 -0.006 0.000 2.167 162 Q HA -0.023 4.317 4.340 0.001 0.000 0.202 162 Q C 2.329 178.328 176.000 -0.002 0.000 0.970 162 Q CA 1.051 56.851 55.803 -0.005 0.000 0.855 162 Q CB -0.078 28.654 28.738 -0.009 0.000 0.911 162 Q HN 0.363 nan 8.270 nan 0.000 0.438 163 L N 0.904 122.126 121.223 -0.002 0.000 2.191 163 L HA -0.177 4.163 4.340 0.001 0.000 0.212 163 L C 1.432 178.306 176.870 0.006 0.000 1.103 163 L CA 0.540 55.381 54.840 0.002 0.000 0.769 163 L CB -0.273 41.785 42.059 -0.001 0.000 0.908 163 L HN 0.267 nan 8.230 nan 0.000 0.438 164 N N -0.000 118.701 118.700 0.003 0.000 2.467 164 N HA 0.103 4.843 4.740 0.001 0.000 0.184 164 N C 0.562 176.073 175.510 0.003 0.000 1.106 164 N CA 0.333 53.385 53.050 0.003 0.000 0.892 164 N CB 0.081 38.568 38.487 0.001 0.000 0.969 164 N HN 0.261 nan 8.380 nan 0.000 0.454 165 I N 1.672 122.243 120.570 0.002 0.000 2.668 165 I HA -0.072 4.098 4.170 0.001 0.000 0.285 165 I C 1.268 177.387 176.117 0.003 0.000 1.168 165 I CA 0.113 61.414 61.300 0.001 0.000 1.424 165 I CB 0.719 38.719 38.000 -0.000 0.000 1.377 165 I HN -0.222 nan 8.210 nan 0.000 0.560 166 K N 4.566 124.964 120.400 -0.003 0.000 2.323 166 K HA 0.068 4.388 4.320 0.001 0.000 0.197 166 K C 0.527 177.114 176.600 -0.021 0.000 1.043 166 K CA 0.372 56.653 56.287 -0.009 0.000 0.997 166 K CB -0.049 32.444 32.500 -0.013 0.000 0.807 166 K HN 0.555 nan 8.250 nan 0.000 0.497 167 E N 1.992 122.181 120.200 -0.017 0.000 2.257 167 E HA 0.166 4.516 4.350 0.001 0.000 0.278 167 E C -0.615 175.973 176.600 -0.020 0.000 1.049 167 E CA -0.354 56.032 56.400 -0.023 0.000 0.876 167 E CB 0.665 30.355 29.700 -0.016 0.000 1.035 167 E HN -0.072 nan 8.360 nan 0.000 0.419 168 V N 1.849 121.742 119.914 -0.036 0.000 3.102 168 V HA 0.486 4.607 4.120 0.001 0.000 0.312 168 V C -0.465 175.614 176.094 -0.025 0.000 1.135 168 V CA -1.312 60.975 62.300 -0.021 0.000 1.022 168 V CB 1.812 33.621 31.823 -0.023 0.000 1.056 168 V HN 0.689 nan 8.190 nan 0.000 0.436 169 N N 1.370 120.072 118.700 0.004 0.000 2.497 169 N HA 0.316 5.056 4.740 0.001 0.000 0.271 169 N C 0.966 176.475 175.510 -0.001 0.000 1.142 169 N CA 0.611 53.666 53.050 0.008 0.000 0.965 169 N CB 1.659 40.159 38.487 0.021 0.000 1.077 169 N HN 1.048 nan 8.380 nan 0.000 0.462 170 T N 0.236 114.786 114.554 -0.005 0.000 3.037 170 T HA 0.248 4.599 4.350 0.001 0.000 0.251 170 T C 1.318 175.999 174.700 -0.032 0.000 1.079 170 T CA 0.485 62.566 62.100 -0.031 0.000 1.067 170 T CB -0.304 68.549 68.868 -0.024 0.000 0.948 170 T HN 0.727 nan 8.240 nan 0.000 0.496 171 G N 0.787 109.620 108.800 0.054 0.000 2.199 171 G HA2 -0.231 3.729 3.960 0.001 0.000 0.254 171 G HA3 -0.231 3.729 3.960 0.001 0.000 0.254 171 G C 0.079 175.180 174.900 0.334 0.000 0.982 171 G CA 0.031 45.223 45.100 0.155 0.000 0.632 171 G HN 0.715 nan 8.290 nan 0.000 0.529 172 V N 2.498 122.574 119.914 0.270 0.000 2.498 172 V HA 0.784 4.904 4.120 0.001 0.000 0.279 172 V C 0.612 176.822 176.094 0.193 0.000 1.048 172 V CA 0.883 63.357 62.300 0.289 0.000 0.967 172 V CB 1.200 33.157 31.823 0.224 0.000 0.988 172 V HN 0.750 nan 8.190 nan 0.000 0.473 173 M N 4.396 124.116 119.600 0.199 0.000 2.682 173 M HA 0.823 5.304 4.480 0.001 0.000 0.272 173 M C -2.138 174.288 176.300 0.210 0.000 1.232 173 M CA -0.795 54.614 55.300 0.180 0.000 0.849 173 M CB 2.403 35.117 32.600 0.191 0.000 1.695 173 M HN 0.156 nan 8.290 nan 0.000 0.481 174 V N 0.890 120.905 119.914 0.169 0.000 2.588 174 V HA 0.874 4.994 4.120 0.001 0.000 0.304 174 V C -0.690 175.483 176.094 0.132 0.000 1.042 174 V CA -0.271 62.135 62.300 0.177 0.000 0.877 174 V CB 1.745 33.629 31.823 0.102 0.000 0.996 174 V HN 0.954 nan 8.190 nan 0.000 0.425 175 S N 1.862 117.672 115.700 0.183 0.000 2.625 175 S HA 0.437 4.907 4.470 0.001 0.000 0.271 175 S C -1.713 172.943 174.600 0.093 0.000 1.161 175 S CA -0.769 57.428 58.200 -0.004 0.000 0.820 175 S CB 1.770 64.746 63.200 -0.372 0.000 1.137 175 S HN 0.999 nan 8.310 nan 0.000 0.470 176 D N 0.647 121.054 120.400 0.012 0.000 2.344 176 D HA 0.207 4.847 4.640 0.001 0.000 0.244 176 D C 1.341 177.707 176.300 0.111 0.000 1.134 176 D CA 0.045 54.068 54.000 0.038 0.000 0.930 176 D CB 0.860 41.653 40.800 -0.012 0.000 1.175 176 D HN 0.612 nan 8.370 nan 0.000 0.437 177 G N 0.697 109.562 108.800 0.108 0.000 2.422 177 G HA2 -0.212 3.749 3.960 0.001 0.000 0.218 177 G HA3 -0.212 3.749 3.960 0.001 0.000 0.218 177 G C 1.522 176.550 174.900 0.214 0.000 1.146 177 G CA 1.188 46.410 45.100 0.204 0.000 0.769 177 G HN 0.660 nan 8.290 nan 0.000 0.547 178 A N 0.637 123.492 122.820 0.058 0.000 1.930 178 A HA 0.063 4.383 4.320 0.001 0.000 0.217 178 A C 2.702 180.191 177.584 -0.158 0.000 1.175 178 A CA 2.147 54.167 52.037 -0.029 0.000 0.627 178 A CB -0.534 18.427 19.000 -0.066 0.000 0.815 178 A HN 0.301 nan 8.150 nan 0.000 0.443 179 S N -0.834 114.693 115.700 -0.288 0.000 2.368 179 S HA -0.092 4.379 4.470 0.001 0.000 0.225 179 S C 1.609 175.906 174.600 -0.505 0.000 1.030 179 S CA 1.345 59.097 58.200 -0.747 0.000 0.999 179 S CB -0.511 62.142 63.200 -0.912 0.000 0.844 179 S HN 0.514 nan 8.310 nan 0.000 0.459 180 F N 1.996 121.904 119.950 -0.069 0.000 2.095 180 F HA -0.098 4.430 4.527 0.001 0.000 0.298 180 F C 2.260 178.130 175.800 0.117 0.000 1.104 180 F CA 1.218 59.312 58.000 0.156 0.000 1.232 180 F CB -0.374 38.800 39.000 0.290 0.000 0.987 180 F HN 0.104 nan 8.300 nan 0.000 0.475 181 K N 0.001 120.550 120.400 0.248 0.000 2.057 181 K HA -0.237 4.084 4.320 0.001 0.000 0.207 181 K C 2.140 178.760 176.600 0.032 0.000 1.049 181 K CA 1.674 58.018 56.287 0.095 0.000 0.931 181 K CB -0.246 32.270 32.500 0.026 0.000 0.714 181 K HN 0.176 nan 8.250 nan 0.000 0.440 182 K N 0.046 120.405 120.400 -0.068 0.000 2.001 182 K HA -0.155 4.166 4.320 0.001 0.000 0.208 182 K C 1.811 178.440 176.600 0.049 0.000 1.048 182 K CA 1.301 57.524 56.287 -0.107 0.000 0.932 182 K CB -0.006 32.297 32.500 -0.328 0.000 0.715 182 K HN 0.168 nan 8.250 nan 0.000 0.437 183 W N 1.251 122.587 121.300 0.059 0.000 2.453 183 W HA 0.026 4.686 4.660 0.001 0.000 0.289 183 W C 1.900 178.475 176.519 0.093 0.000 1.215 183 W CA 0.334 57.712 57.345 0.055 0.000 1.297 183 W CB -0.761 28.707 29.460 0.015 0.000 1.113 183 W HN 0.097 nan 8.180 nan 0.000 0.551 184 L N 0.484 121.917 121.223 0.350 0.000 2.079 184 L HA -0.183 4.157 4.340 0.001 0.000 0.210 184 L C 2.541 179.509 176.870 0.164 0.000 1.081 184 L CA 1.491 56.487 54.840 0.260 0.000 0.752 184 L CB -1.106 41.094 42.059 0.236 0.000 0.896 184 L HN -0.140 nan 8.230 nan 0.000 0.433 185 A N -0.390 122.507 122.820 0.129 0.000 2.121 185 A HA -0.115 4.206 4.320 0.001 0.000 0.218 185 A C 2.216 179.866 177.584 0.110 0.000 1.154 185 A CA 1.046 53.132 52.037 0.081 0.000 0.679 185 A CB -0.323 18.707 19.000 0.049 0.000 0.795 185 A HN 0.357 nan 8.150 nan 0.000 0.458 186 R N -0.760 119.836 120.500 0.160 0.000 2.362 186 R HA 0.181 4.521 4.340 0.001 0.000 0.227 186 R C -0.408 175.993 176.300 0.170 0.000 0.905 186 R CA -0.085 56.111 56.100 0.159 0.000 1.067 186 R CB 0.299 30.709 30.300 0.183 0.000 1.078 186 R HN 0.302 nan 8.270 nan 0.000 0.516 187 V N 1.318 121.354 119.914 0.203 0.000 2.572 187 V HA 0.217 4.337 4.120 0.001 0.000 0.291 187 V C 0.971 177.270 176.094 0.341 0.000 1.039 187 V CA -0.104 62.344 62.300 0.247 0.000 1.055 187 V CB 1.192 33.189 31.823 0.290 0.000 0.969 187 V HN 0.265 nan 8.190 nan 0.000 0.482 188 G N 2.804 111.754 108.800 0.250 0.000 2.601 188 G HA2 0.434 4.394 3.960 0.001 0.000 0.317 188 G HA3 0.434 4.394 3.960 0.001 0.000 0.317 188 G C 0.217 175.061 174.900 -0.093 0.000 1.246 188 G CA -0.480 44.724 45.100 0.174 0.000 1.012 188 G HN 0.734 nan 8.290 nan 0.000 0.494 189 N N -0.710 117.768 118.700 -0.370 0.000 2.351 189 N HA 0.012 4.753 4.740 0.001 0.000 0.254 189 N C -0.325 175.055 175.510 -0.216 0.000 1.241 189 N CA -0.578 52.153 53.050 -0.532 0.000 0.883 189 N CB 0.344 38.146 38.487 -1.142 0.000 1.202 189 N HN 0.259 nan 8.380 nan 0.000 0.512 190 N N 1.758 120.398 118.700 -0.100 0.000 2.739 190 N HA 0.078 4.818 4.740 0.001 0.000 0.266 190 N C -1.123 174.376 175.510 -0.019 0.000 1.168 190 N CA -0.075 52.946 53.050 -0.049 0.000 1.055 190 N CB -0.530 37.942 38.487 -0.025 0.000 1.393 190 N HN 0.574 nan 8.380 nan 0.000 0.514 191 N N -0.745 117.949 118.700 -0.011 0.000 3.020 191 N HA 0.372 5.112 4.740 0.001 0.000 0.248 191 N C 0.221 175.743 175.510 0.021 0.000 1.480 191 N CA -0.616 52.446 53.050 0.020 0.000 0.874 191 N CB 0.191 38.725 38.487 0.079 0.000 1.433 191 N HN -0.078 nan 8.380 nan 0.000 0.530 192 A N -0.772 122.063 122.820 0.025 0.000 2.019 192 A HA -0.140 4.180 4.320 0.001 0.000 0.219 192 A C 1.449 179.049 177.584 0.026 0.000 1.164 192 A CA 1.544 53.591 52.037 0.016 0.000 0.644 192 A CB -0.686 18.318 19.000 0.008 0.000 0.805 192 A HN 0.653 nan 8.150 nan 0.000 0.449 193 Q N -1.604 118.235 119.800 0.065 0.000 2.408 193 Q HA 0.309 4.650 4.340 0.001 0.000 0.205 193 Q C 1.197 177.191 176.000 -0.011 0.000 0.919 193 Q CA 0.690 56.524 55.803 0.052 0.000 0.932 193 Q CB 0.044 28.861 28.738 0.132 0.000 1.058 193 Q HN 0.828 nan 8.270 nan 0.000 0.517 194 G N 0.804 109.585 108.800 -0.031 0.000 2.249 194 G HA2 -0.320 3.640 3.960 0.001 0.000 0.273 194 G HA3 -0.320 3.640 3.960 0.001 0.000 0.273 194 G C -0.346 174.430 174.900 -0.207 0.000 1.036 194 G CA 0.449 45.483 45.100 -0.109 0.000 0.824 194 G HN 0.329 nan 8.290 nan 0.000 0.504 195 E N -1.319 118.746 120.200 -0.226 0.000 2.212 195 E HA 0.535 4.885 4.350 0.001 0.000 0.270 195 E C -0.732 175.618 176.600 -0.418 0.000 0.956 195 E CA -1.036 55.147 56.400 -0.363 0.000 0.825 195 E CB 0.975 30.348 29.700 -0.545 0.000 1.167 195 E HN 0.263 nan 8.360 nan 0.000 0.400 196 Y N 1.329 121.528 120.300 -0.168 0.000 2.535 196 Y HA 0.174 4.725 4.550 0.001 0.000 0.349 196 Y C -0.635 175.235 175.900 -0.049 0.000 0.992 196 Y CA -0.374 57.708 58.100 -0.029 0.000 1.248 196 Y CB 0.067 38.550 38.460 0.039 0.000 1.124 196 Y HN 0.382 nan 8.280 nan 0.000 0.520 197 Y N 2.887 123.295 120.300 0.180 0.000 2.313 197 Y HA 0.102 4.652 4.550 0.001 0.000 0.332 197 Y C 1.054 177.058 175.900 0.173 0.000 1.071 197 Y CA -0.654 57.538 58.100 0.153 0.000 1.169 197 Y CB 1.164 39.679 38.460 0.091 0.000 1.192 197 Y HN 0.600 nan 8.280 nan 0.000 0.487 198 L N 2.039 123.467 121.223 0.341 0.000 2.127 198 L HA -0.190 4.150 4.340 0.001 0.000 0.211 198 L C 1.975 178.995 176.870 0.250 0.000 1.089 198 L CA 2.010 57.031 54.840 0.302 0.000 0.757 198 L CB -0.786 41.462 42.059 0.315 0.000 0.899 198 L HN 0.813 nan 8.230 nan 0.000 0.434 199 T N -0.440 114.257 114.554 0.239 0.000 2.714 199 T HA -0.242 4.109 4.350 0.001 0.000 0.268 199 T C 1.358 176.100 174.700 0.070 0.000 1.036 199 T CA 1.719 63.896 62.100 0.129 0.000 1.148 199 T CB -0.475 68.435 68.868 0.070 0.000 0.856 199 T HN 0.411 nan 8.240 nan 0.000 0.462 200 D N 0.562 121.024 120.400 0.104 0.000 2.309 200 D HA -0.002 4.639 4.640 0.001 0.000 0.212 200 D C 1.795 178.081 176.300 -0.024 0.000 0.968 200 D CA 0.242 54.270 54.000 0.047 0.000 0.882 200 D CB -0.397 40.464 40.800 0.101 0.000 0.918 200 D HN 0.218 nan 8.370 nan 0.000 0.503 201 L N 0.575 121.792 121.223 -0.009 0.000 2.187 201 L HA -0.173 4.167 4.340 0.001 0.000 0.213 201 L C 2.030 178.687 176.870 -0.354 0.000 1.100 201 L CA 0.896 55.642 54.840 -0.157 0.000 0.765 201 L CB -0.273 41.768 42.059 -0.030 0.000 0.904 201 L HN 0.094 nan 8.230 nan 0.000 0.437 202 I N -0.780 119.666 120.570 -0.207 0.000 2.202 202 I HA -0.237 3.933 4.170 0.001 0.000 0.242 202 I C 2.629 178.601 176.117 -0.242 0.000 1.091 202 I CA 1.495 62.665 61.300 -0.217 0.000 1.368 202 I CB -1.759 36.175 38.000 -0.110 0.000 1.058 202 I HN 0.225 nan 8.210 nan 0.000 0.410 203 A N 0.912 123.622 122.820 -0.183 0.000 1.902 203 A HA -0.152 4.169 4.320 0.001 0.000 0.217 203 A C 2.412 179.863 177.584 -0.222 0.000 1.181 203 A CA 1.322 53.265 52.037 -0.156 0.000 0.623 203 A CB -0.854 18.088 19.000 -0.095 0.000 0.818 203 A HN 0.402 nan 8.150 nan 0.000 0.443 204 L N -0.905 120.125 121.223 -0.322 0.000 2.093 204 L HA -0.156 4.184 4.340 0.001 0.000 0.208 204 L C 3.055 179.501 176.870 -0.707 0.000 1.085 204 L CA 0.939 55.518 54.840 -0.435 0.000 0.755 204 L CB -0.462 41.323 42.059 -0.457 0.000 0.904 204 L HN 0.435 nan 8.230 nan 0.000 0.435 205 A N -0.046 122.170 122.820 -1.008 0.000 1.898 205 A HA -0.182 4.139 4.320 0.001 0.000 0.216 205 A C 2.092 179.491 177.584 -0.307 0.000 1.181 205 A CA 1.581 53.054 52.037 -0.940 0.000 0.620 205 A CB -0.497 17.933 19.000 -0.951 0.000 0.819 205 A HN 0.420 nan 8.150 nan 0.000 0.442 206 N N -0.275 118.276 118.700 -0.249 0.000 2.188 206 N HA -0.143 4.597 4.740 0.001 0.000 0.184 206 N C 1.864 177.330 175.510 -0.073 0.000 1.018 206 N CA 1.274 54.252 53.050 -0.120 0.000 0.858 206 N CB -0.294 38.130 38.487 -0.105 0.000 0.989 206 N HN 0.635 nan 8.380 nan 0.000 0.426 207 Q N 0.358 120.105 119.800 -0.087 0.000 2.181 207 Q HA -0.131 4.209 4.340 0.001 0.000 0.205 207 Q C 0.388 176.400 176.000 0.020 0.000 0.980 207 Q CA 1.131 56.916 55.803 -0.031 0.000 0.862 207 Q CB 0.014 28.734 28.738 -0.030 0.000 0.905 207 Q HN 0.252 nan 8.270 nan 0.000 0.429 208 D N -0.383 120.047 120.400 0.050 0.000 2.328 208 D HA 0.054 4.694 4.640 0.001 0.000 0.221 208 D C -0.574 175.790 176.300 0.106 0.000 1.072 208 D CA 0.010 54.092 54.000 0.136 0.000 0.850 208 D CB -0.116 40.881 40.800 0.329 0.000 0.922 208 D HN 0.195 nan 8.370 nan 0.000 0.516 209 N N -0.803 117.931 118.700 0.055 0.000 2.721 209 N HA -0.188 4.553 4.740 0.001 0.000 0.249 209 N C -0.905 174.643 175.510 0.063 0.000 1.072 209 N CA 0.272 53.348 53.050 0.043 0.000 0.710 209 N CB -1.398 37.113 38.487 0.039 0.000 0.993 209 N HN 0.213 nan 8.380 nan 0.000 0.547 210 C N 0.298 119.647 119.300 0.083 0.000 2.366 210 C HA 0.411 4.872 4.460 0.001 0.000 0.345 210 C C 0.876 175.891 174.990 0.042 0.000 1.209 210 C CA -0.750 58.335 59.018 0.112 0.000 2.050 210 C CB 1.514 29.422 27.740 0.281 0.000 2.359 210 C HN 0.373 nan 8.230 nan 0.000 0.527 211 Q N 1.202 121.030 119.800 0.046 0.000 2.261 211 Q HA 0.562 4.902 4.340 0.001 0.000 0.252 211 Q C -1.304 174.698 176.000 0.003 0.000 0.915 211 Q CA -0.106 55.706 55.803 0.016 0.000 0.915 211 Q CB 0.965 29.716 28.738 0.022 0.000 1.204 211 Q HN 0.666 nan 8.270 nan 0.000 0.421 212 V N 4.521 124.422 119.914 -0.022 0.000 2.409 212 V HA 0.407 4.528 4.120 0.001 0.000 0.291 212 V C -0.462 175.624 176.094 -0.014 0.000 1.020 212 V CA -0.709 61.574 62.300 -0.029 0.000 0.848 212 V CB 1.665 33.451 31.823 -0.062 0.000 0.990 212 V HN 0.560 nan 8.190 nan 0.000 0.430 213 V N 3.745 123.658 119.914 -0.002 0.000 2.555 213 V HA 0.789 4.909 4.120 0.001 0.000 0.302 213 V C 0.436 176.533 176.094 0.005 0.000 1.038 213 V CA -0.578 61.724 62.300 0.003 0.000 0.887 213 V CB 1.934 33.763 31.823 0.009 0.000 0.991 213 V HN 0.990 nan 8.190 nan 0.000 0.434 214 A N 4.337 127.159 122.820 0.003 0.000 2.310 214 A HA 0.800 5.121 4.320 0.001 0.000 0.299 214 A C -0.648 176.941 177.584 0.009 0.000 1.147 214 A CA -0.413 51.627 52.037 0.006 0.000 0.818 214 A CB 1.081 20.081 19.000 0.000 0.000 1.096 214 A HN 0.688 nan 8.150 nan 0.000 0.495 215 V N 3.127 123.049 119.914 0.013 0.000 2.531 215 V HA 0.269 4.389 4.120 0.001 0.000 0.301 215 V C -0.217 175.883 176.094 0.011 0.000 1.034 215 V CA -0.483 61.826 62.300 0.014 0.000 0.865 215 V CB 1.573 33.408 31.823 0.021 0.000 0.995 215 V HN 1.030 nan 8.190 nan 0.000 0.424 216 Q N 2.670 122.474 119.800 0.006 0.000 2.261 216 Q HA 0.659 4.999 4.340 0.001 0.000 0.252 216 Q C 0.245 176.247 176.000 0.004 0.000 0.915 216 Q CA -0.330 55.474 55.803 0.001 0.000 0.915 216 Q CB 1.692 30.428 28.738 -0.003 0.000 1.204 216 Q HN 0.925 nan 8.270 nan 0.000 0.421 217 A N 1.586 124.405 122.820 -0.001 0.000 2.462 217 A HA 0.103 4.423 4.320 0.001 0.000 0.243 217 A C 1.140 178.726 177.584 0.004 0.000 1.076 217 A CA 0.002 52.041 52.037 0.003 0.000 0.773 217 A CB 0.219 19.213 19.000 -0.009 0.000 1.010 217 A HN 0.917 nan 8.150 nan 0.000 0.493 218 T N -0.759 113.804 114.554 0.016 0.000 2.985 218 T HA 0.033 4.383 4.350 0.001 0.000 0.266 218 T C 0.350 175.064 174.700 0.023 0.000 1.076 218 T CA 1.299 63.412 62.100 0.021 0.000 1.135 218 T CB -0.043 68.844 68.868 0.032 0.000 0.890 218 T HN 0.625 nan 8.240 nan 0.000 0.480 219 D N -0.075 120.337 120.400 0.020 0.000 2.787 219 D HA 0.357 4.997 4.640 0.001 0.000 0.246 219 D C 0.991 177.266 176.300 -0.042 0.000 1.150 219 D CA -0.520 53.489 54.000 0.016 0.000 0.864 219 D CB 2.779 43.622 40.800 0.073 0.000 1.481 219 D HN -0.110 nan 8.370 nan 0.000 0.509 220 V N 3.287 123.160 119.914 -0.067 0.000 2.343 220 V HA -0.224 3.897 4.120 0.001 0.000 0.247 220 V C 2.491 178.487 176.094 -0.162 0.000 1.051 220 V CA 1.215 63.450 62.300 -0.108 0.000 1.036 220 V CB -0.365 31.394 31.823 -0.106 0.000 0.654 220 V HN 0.677 nan 8.190 nan 0.000 0.451 221 M N -0.630 118.816 119.600 -0.257 0.000 2.279 221 M HA -0.167 4.314 4.480 0.001 0.000 0.264 221 M C 2.147 178.229 176.300 -0.364 0.000 1.062 221 M CA 1.335 56.365 55.300 -0.451 0.000 1.099 221 M CB -1.158 30.807 32.600 -1.059 0.000 1.394 221 M HN 0.471 nan 8.290 nan 0.000 0.426 222 E N 0.266 120.330 120.200 -0.227 0.000 2.130 222 E HA -0.168 4.183 4.350 0.001 0.000 0.196 222 E C 1.627 178.196 176.600 -0.051 0.000 0.998 222 E CA 1.769 58.123 56.400 -0.077 0.000 0.806 222 E CB 0.198 29.895 29.700 -0.005 0.000 0.738 222 E HN 0.489 nan 8.360 nan 0.000 0.459 223 V N -1.653 118.217 119.914 -0.073 0.000 3.621 223 V HA 0.171 4.291 4.120 0.001 0.000 0.285 223 V C 0.418 176.468 176.094 -0.074 0.000 1.346 223 V CA -0.190 62.078 62.300 -0.052 0.000 1.104 223 V CB 0.291 32.082 31.823 -0.055 0.000 0.913 223 V HN -0.075 nan 8.190 nan 0.000 0.432 224 E N 2.224 122.364 120.200 -0.100 0.000 2.373 224 E HA 0.451 4.801 4.350 0.001 0.000 0.267 224 E C 0.373 176.937 176.600 -0.060 0.000 1.032 224 E CA 0.730 57.075 56.400 -0.091 0.000 0.889 224 E CB 1.783 31.415 29.700 -0.114 0.000 0.984 224 E HN 0.559 nan 8.360 nan 0.000 0.425 225 G N 0.394 109.167 108.800 -0.044 0.000 2.491 225 G HA2 0.561 4.522 3.960 0.001 0.000 0.327 225 G HA3 0.561 4.522 3.960 0.001 0.000 0.327 225 G C -1.056 173.829 174.900 -0.024 0.000 1.189 225 G CA -0.492 44.595 45.100 -0.021 0.000 0.956 225 G HN 0.476 nan 8.290 nan 0.000 0.491 226 A N 0.579 123.389 122.820 -0.018 0.000 2.273 226 A HA 0.550 4.870 4.320 0.001 0.000 0.315 226 A C 0.437 177.999 177.584 -0.037 0.000 1.256 226 A CA -0.800 51.218 52.037 -0.031 0.000 0.851 226 A CB 0.845 19.822 19.000 -0.039 0.000 1.172 226 A HN 0.482 nan 8.150 nan 0.000 0.508 227 N N 1.092 119.766 118.700 -0.043 0.000 2.356 227 N HA 0.042 4.782 4.740 0.001 0.000 0.178 227 N C -0.103 175.351 175.510 -0.092 0.000 1.075 227 N CA 0.705 53.721 53.050 -0.056 0.000 0.889 227 N CB 0.243 38.707 38.487 -0.038 0.000 0.999 227 N HN 0.913 nan 8.380 nan 0.000 0.464 228 N N -1.567 117.081 118.700 -0.086 0.000 2.853 228 N HA 0.278 5.018 4.740 0.001 0.000 0.258 228 N C 0.057 175.512 175.510 -0.092 0.000 1.444 228 N CA -0.664 52.330 53.050 -0.093 0.000 0.837 228 N CB 1.151 39.616 38.487 -0.036 0.000 1.489 228 N HN -0.328 nan 8.380 nan 0.000 0.529 229 R N -0.887 119.569 120.500 -0.074 0.000 2.193 229 R HA 0.122 4.462 4.340 0.001 0.000 0.213 229 R C 1.328 177.617 176.300 -0.019 0.000 1.055 229 R CA 0.342 56.405 56.100 -0.061 0.000 0.995 229 R CB -0.443 29.836 30.300 -0.035 0.000 0.893 229 R HN 0.486 nan 8.270 nan 0.000 0.459 230 L N 1.384 122.604 121.223 -0.004 0.000 2.027 230 L HA -0.180 4.160 4.340 0.001 0.000 0.206 230 L C 1.964 178.835 176.870 0.002 0.000 1.074 230 L CA 1.818 56.663 54.840 0.007 0.000 0.745 230 L CB -0.247 41.820 42.059 0.014 0.000 0.898 230 L HN 0.094 nan 8.230 nan 0.000 0.433 231 Q N -1.037 118.757 119.800 -0.009 0.000 2.119 231 Q HA -0.208 4.132 4.340 0.001 0.000 0.201 231 Q C 2.225 178.215 176.000 -0.015 0.000 0.972 231 Q CA 1.607 57.402 55.803 -0.013 0.000 0.847 231 Q CB -0.366 28.360 28.738 -0.021 0.000 0.903 231 Q HN 0.457 nan 8.270 nan 0.000 0.433 232 L N 0.754 121.961 121.223 -0.026 0.000 2.042 232 L HA -0.166 4.174 4.340 0.001 0.000 0.210 232 L C 2.173 179.045 176.870 0.005 0.000 1.076 232 L CA 2.055 56.882 54.840 -0.022 0.000 0.749 232 L CB -0.665 41.370 42.059 -0.040 0.000 0.893 232 L HN 0.146 nan 8.230 nan 0.000 0.432 233 A N -0.898 121.930 122.820 0.014 0.000 1.969 233 A HA -0.042 4.279 4.320 0.001 0.000 0.218 233 A C 2.413 180.027 177.584 0.049 0.000 1.169 233 A CA 1.505 53.562 52.037 0.034 0.000 0.635 233 A CB -0.968 18.051 19.000 0.032 0.000 0.810 233 A HN 0.554 nan 8.150 nan 0.000 0.445 234 A N -0.045 122.798 122.820 0.040 0.000 1.898 234 A HA -0.003 4.317 4.320 0.001 0.000 0.216 234 A C 2.129 179.763 177.584 0.082 0.000 1.181 234 A CA 1.383 53.453 52.037 0.054 0.000 0.620 234 A CB -0.558 18.459 19.000 0.028 0.000 0.819 234 A HN 0.468 nan 8.150 nan 0.000 0.442 235 L N -0.841 120.412 121.223 0.049 0.000 2.046 235 L HA -0.203 4.137 4.340 0.001 0.000 0.208 235 L C 2.654 179.612 176.870 0.147 0.000 1.077 235 L CA 1.797 56.676 54.840 0.066 0.000 0.747 235 L CB -0.556 41.497 42.059 -0.010 0.000 0.896 235 L HN 0.502 nan 8.230 nan 0.000 0.432 236 E N 0.896 121.155 120.200 0.099 0.000 2.058 236 E HA -0.278 4.072 4.350 0.001 0.000 0.194 236 E C 2.174 178.890 176.600 0.193 0.000 0.997 236 E CA 1.530 58.004 56.400 0.124 0.000 0.801 236 E CB -0.067 29.679 29.700 0.076 0.000 0.746 236 E HN 0.206 nan 8.360 nan 0.000 0.450 237 R N -0.546 120.049 120.500 0.158 0.000 2.075 237 R HA -0.167 4.173 4.340 0.001 0.000 0.232 237 R C 2.332 178.737 176.300 0.174 0.000 1.126 237 R CA 1.944 58.130 56.100 0.144 0.000 0.963 237 R CB -1.361 29.007 30.300 0.113 0.000 0.858 237 R HN 0.449 nan 8.270 nan 0.000 0.435 238 Y N -0.193 120.162 120.300 0.091 0.000 2.181 238 Y HA -0.162 4.388 4.550 0.001 0.000 0.288 238 Y C 1.849 177.813 175.900 0.107 0.000 1.146 238 Y CA 2.019 60.169 58.100 0.082 0.000 1.164 238 Y CB -0.509 37.993 38.460 0.071 0.000 0.982 238 Y HN 0.154 nan 8.280 nan 0.000 0.515 239 F N 1.006 121.058 119.950 0.170 0.000 2.102 239 F HA -0.267 4.260 4.527 0.001 0.000 0.298 239 F C 2.335 178.141 175.800 0.010 0.000 1.105 239 F CA 2.003 60.047 58.000 0.074 0.000 1.239 239 F CB -0.472 38.572 39.000 0.074 0.000 0.991 239 F HN 0.091 nan 8.300 nan 0.000 0.474 240 Q N 0.100 119.992 119.800 0.152 0.000 2.084 240 Q HA -0.239 4.101 4.340 0.001 0.000 0.202 240 Q C 2.002 177.999 176.000 -0.005 0.000 0.978 240 Q CA 1.754 57.603 55.803 0.077 0.000 0.844 240 Q CB -1.081 27.735 28.738 0.130 0.000 0.898 240 Q HN 0.523 nan 8.270 nan 0.000 0.426 241 N N 1.192 119.866 118.700 -0.043 0.000 2.104 241 N HA -0.192 4.548 4.740 0.001 0.000 0.190 241 N C 1.667 177.067 175.510 -0.183 0.000 1.024 241 N CA 1.667 54.661 53.050 -0.092 0.000 0.853 241 N CB -0.027 38.392 38.487 -0.113 0.000 1.008 241 N HN 0.151 nan 8.380 nan 0.000 0.424 242 K N 0.063 120.273 120.400 -0.317 0.000 2.057 242 K HA -0.137 4.183 4.320 0.001 0.000 0.206 242 K C 2.001 178.442 176.600 -0.265 0.000 1.050 242 K CA 1.197 57.279 56.287 -0.341 0.000 0.935 242 K CB -0.074 32.154 32.500 -0.453 0.000 0.715 242 K HN 0.350 nan 8.250 nan 0.000 0.439 243 Q N -0.161 119.454 119.800 -0.309 0.000 2.050 243 Q HA -0.148 4.192 4.340 0.001 0.000 0.202 243 Q C 2.172 178.129 176.000 -0.072 0.000 0.980 243 Q CA 1.564 57.245 55.803 -0.203 0.000 0.840 243 Q CB -0.171 28.459 28.738 -0.181 0.000 0.898 243 Q HN 0.434 nan 8.270 nan 0.000 0.424 244 A N 0.556 123.361 122.820 -0.024 0.000 1.902 244 A HA -0.189 4.131 4.320 0.001 0.000 0.217 244 A C 2.291 179.786 177.584 -0.148 0.000 1.181 244 A CA 1.789 53.772 52.037 -0.091 0.000 0.623 244 A CB -0.557 18.435 19.000 -0.013 0.000 0.818 244 A HN 0.266 nan 8.150 nan 0.000 0.443 245 S N -0.503 115.123 115.700 -0.123 0.000 2.368 245 S HA -0.179 4.291 4.470 0.001 0.000 0.225 245 S C 1.984 176.520 174.600 -0.107 0.000 1.030 245 S CA 1.686 59.816 58.200 -0.116 0.000 0.999 245 S CB -0.249 62.882 63.200 -0.116 0.000 0.844 245 S HN 0.697 nan 8.310 nan 0.000 0.459 246 K N 1.078 121.416 120.400 -0.103 0.000 2.057 246 K HA -0.032 4.288 4.320 0.001 0.000 0.207 246 K C 1.981 178.539 176.600 -0.070 0.000 1.049 246 K CA 1.085 57.328 56.287 -0.073 0.000 0.931 246 K CB -0.238 32.224 32.500 -0.062 0.000 0.714 246 K HN 0.270 nan 8.250 nan 0.000 0.440 247 L N 0.798 121.957 121.223 -0.107 0.000 2.056 247 L HA -0.173 4.168 4.340 0.001 0.000 0.207 247 L C 2.383 179.127 176.870 -0.210 0.000 1.078 247 L CA 0.870 55.610 54.840 -0.167 0.000 0.749 247 L CB -0.336 41.578 42.059 -0.241 0.000 0.901 247 L HN 0.211 nan 8.230 nan 0.000 0.433 248 L N -0.541 120.568 121.223 -0.190 0.000 2.012 248 L HA -0.265 4.075 4.340 0.001 0.000 0.210 248 L C 2.440 179.244 176.870 -0.110 0.000 1.073 248 L CA 1.406 56.151 54.840 -0.159 0.000 0.748 248 L CB -0.443 41.534 42.059 -0.138 0.000 0.891 248 L HN 0.247 nan 8.230 nan 0.000 0.431 249 L N -0.789 120.383 121.223 -0.085 0.000 2.275 249 L HA -0.175 4.166 4.340 0.001 0.000 0.215 249 L C 2.166 179.016 176.870 -0.033 0.000 1.119 249 L CA 0.947 55.754 54.840 -0.054 0.000 0.790 249 L CB -0.379 41.653 42.059 -0.044 0.000 0.919 249 L HN 0.313 nan 8.230 nan 0.000 0.443 250 E N -0.327 119.856 120.200 -0.029 0.000 2.481 250 E HA 0.013 4.363 4.350 0.001 0.000 0.195 250 E C 1.312 177.928 176.600 0.026 0.000 1.047 250 E CA 0.517 56.939 56.400 0.038 0.000 0.867 250 E CB 0.239 30.030 29.700 0.152 0.000 0.858 250 E HN 0.533 nan 8.360 nan 0.000 0.513 251 G N 0.708 109.469 108.800 -0.065 0.000 2.154 251 G HA2 -0.210 3.750 3.960 0.001 0.000 0.186 251 G HA3 -0.210 3.750 3.960 0.001 0.000 0.186 251 G C 0.122 174.938 174.900 -0.139 0.000 1.000 251 G CA -0.167 44.893 45.100 -0.067 0.000 0.664 251 G HN 0.102 nan 8.290 nan 0.000 0.513 252 V N 1.536 121.290 119.914 -0.267 0.000 2.488 252 V HA 0.569 4.690 4.120 0.001 0.000 0.277 252 V C 0.840 176.816 176.094 -0.196 0.000 1.046 252 V CA -0.224 61.895 62.300 -0.301 0.000 0.986 252 V CB 1.446 32.985 31.823 -0.474 0.000 0.989 252 V HN 0.376 nan 8.190 nan 0.000 0.475 253 M N 7.338 126.871 119.600 -0.113 0.000 2.383 253 M HA 0.394 4.874 4.480 0.001 0.000 0.337 253 M C -0.581 175.716 176.300 -0.006 0.000 1.422 253 M CA 0.255 55.531 55.300 -0.040 0.000 1.333 253 M CB -0.368 32.254 32.600 0.037 0.000 1.488 253 M HN 0.472 nan 8.290 nan 0.000 0.454 254 I N 5.960 126.476 120.570 -0.089 0.000 2.306 254 I HA 0.072 4.242 4.170 0.001 0.000 0.288 254 I C 0.079 176.238 176.117 0.070 0.000 1.036 254 I CA -0.536 60.694 61.300 -0.117 0.000 1.221 254 I CB 0.591 38.358 38.000 -0.389 0.000 1.385 254 I HN 0.620 nan 8.210 nan 0.000 0.472 255 Y N 2.580 122.818 120.300 -0.103 0.000 2.151 255 Y HA -0.188 4.362 4.550 0.000 0.000 0.284 255 Y C 1.186 177.057 175.900 -0.049 0.000 1.166 255 Y CA 1.010 59.071 58.100 -0.065 0.000 1.163 255 Y CB -0.247 38.186 38.460 -0.046 0.000 0.974 255 Y HN 0.486 nan 8.280 nan 0.000 0.511 256 D N -1.001 119.477 120.400 0.131 0.000 2.386 256 D HA 0.192 4.833 4.640 0.001 0.000 0.247 256 D C -2.292 174.049 176.300 0.067 0.000 1.336 256 D CA -2.290 51.756 54.000 0.076 0.000 0.976 256 D CB 1.616 42.467 40.800 0.084 0.000 1.257 256 D HN -0.101 nan 8.370 nan 0.000 0.570 257 P HA -0.035 nan 4.420 nan 0.000 0.225 257 P C 0.923 178.282 177.300 0.097 0.000 1.148 257 P CA 0.404 63.527 63.100 0.038 0.000 0.779 257 P CB 0.326 32.012 31.700 -0.024 0.000 0.780 258 A N 0.028 122.893 122.820 0.075 0.000 2.167 258 A HA 0.013 4.334 4.320 0.001 0.000 0.214 258 A C 1.662 179.300 177.584 0.090 0.000 1.151 258 A CA 0.445 52.527 52.037 0.074 0.000 0.735 258 A CB -0.486 18.545 19.000 0.052 0.000 0.802 258 A HN 0.099 nan 8.150 nan 0.000 0.467 259 R N -1.143 119.425 120.500 0.113 0.000 2.989 259 R HA 0.385 4.725 4.340 0.001 0.000 0.340 259 R C -1.526 174.878 176.300 0.173 0.000 1.205 259 R CA -0.117 56.048 56.100 0.108 0.000 1.235 259 R CB 0.199 30.549 30.300 0.083 0.000 1.394 259 R HN 0.362 nan 8.270 nan 0.000 0.598 260 F N 0.192 120.145 119.950 0.005 0.000 2.596 260 F HA 0.379 4.907 4.527 0.000 0.000 0.311 260 F C -1.695 174.112 175.800 0.012 0.000 1.116 260 F CA -0.869 57.129 58.000 -0.003 0.000 0.957 260 F CB 2.039 41.029 39.000 -0.016 0.000 1.250 260 F HN 0.015 nan 8.300 nan 0.000 0.444 261 D N 5.480 125.383 120.400 -0.827 0.000 2.757 261 D HA 0.483 5.123 4.640 0.001 0.000 0.249 261 D C -1.738 174.071 176.300 -0.817 0.000 1.168 261 D CA -0.294 53.349 54.000 -0.595 0.000 0.870 261 D CB 2.411 43.063 40.800 -0.246 0.000 1.411 261 D HN 0.488 nan 8.370 nan 0.000 0.525 262 L N 2.344 123.277 121.223 -0.484 0.000 2.325 262 L HA 0.542 4.882 4.340 0.001 0.000 0.281 262 L C -0.887 175.988 176.870 0.008 0.000 1.004 262 L CA -0.383 54.334 54.840 -0.205 0.000 0.823 262 L CB 1.054 43.122 42.059 0.015 0.000 1.236 262 L HN 0.384 nan 8.230 nan 0.000 0.415 263 R N 4.648 125.153 120.500 0.009 0.000 2.748 263 R HA 0.696 5.036 4.340 0.001 0.000 0.283 263 R C -0.067 176.266 176.300 0.055 0.000 1.507 263 R CA -0.005 56.129 56.100 0.058 0.000 1.666 263 R CB 0.936 31.249 30.300 0.022 0.000 1.237 263 R HN 0.977 nan 8.270 nan 0.000 0.633 264 G N 0.051 108.903 108.800 0.087 0.000 2.470 264 G HA2 -0.063 3.897 3.960 0.001 0.000 0.145 264 G HA3 -0.063 3.897 3.960 0.001 0.000 0.145 264 G C -1.036 173.917 174.900 0.088 0.000 1.223 264 G CA -0.285 44.856 45.100 0.067 0.000 1.058 264 G HN 0.221 nan 8.290 nan 0.000 0.469 265 T N -1.693 112.903 114.554 0.070 0.000 2.876 265 T HA 0.703 5.054 4.350 0.001 0.000 0.289 265 T C -1.309 173.440 174.700 0.082 0.000 1.014 265 T CA -0.583 61.564 62.100 0.078 0.000 0.986 265 T CB 2.083 70.986 68.868 0.058 0.000 1.021 265 T HN 1.511 nan 8.240 nan 0.000 0.458 266 L N 1.719 123.005 121.223 0.105 0.000 2.349 266 L HA 0.615 4.955 4.340 0.001 0.000 0.278 266 L C -0.338 176.605 176.870 0.122 0.000 0.996 266 L CA -0.580 54.335 54.840 0.125 0.000 0.825 266 L CB 1.544 43.709 42.059 0.177 0.000 1.243 266 L HN 0.960 nan 8.230 nan 0.000 0.412 267 E N 3.411 123.658 120.200 0.078 0.000 2.175 267 E HA 0.493 4.844 4.350 0.001 0.000 0.278 267 E C -1.463 175.171 176.600 0.056 0.000 0.969 267 E CA -0.519 55.890 56.400 0.015 0.000 0.796 267 E CB 0.756 30.448 29.700 -0.013 0.000 1.104 267 E HN 0.824 nan 8.360 nan 0.000 0.395 268 H N 1.121 120.194 119.070 0.005 0.000 2.851 268 H HA 0.621 5.177 4.556 0.001 0.000 0.372 268 H C 0.019 175.342 175.328 -0.007 0.000 1.158 268 H CA -0.814 55.233 56.048 -0.002 0.000 1.159 268 H CB 1.283 31.041 29.762 -0.006 0.000 1.757 268 H HN 0.514 nan 8.280 nan 0.000 0.546 269 G N 0.862 109.729 108.800 0.112 0.000 2.494 269 G HA2 0.314 4.275 3.960 0.001 0.000 0.270 269 G HA3 0.314 4.275 3.960 0.001 0.000 0.270 269 G C -0.682 174.320 174.900 0.170 0.000 1.423 269 G CA -1.064 44.083 45.100 0.077 0.000 1.055 269 G HN 0.937 nan 8.290 nan 0.000 0.536 270 K N -0.800 119.652 120.400 0.086 0.000 2.098 270 K HA 0.323 4.643 4.320 0.001 0.000 0.261 270 K C -0.801 175.823 176.600 0.040 0.000 0.987 270 K CA -0.118 56.211 56.287 0.069 0.000 0.916 270 K CB 1.233 33.755 32.500 0.037 0.000 1.039 270 K HN 0.372 nan 8.250 nan 0.000 0.455 271 D N -0.126 120.286 120.400 0.020 0.000 2.870 271 D HA -0.127 4.514 4.640 0.001 0.000 0.228 271 D C -0.555 175.745 176.300 0.001 0.000 1.147 271 D CA 0.609 54.611 54.000 0.003 0.000 0.757 271 D CB -1.263 39.540 40.800 0.004 0.000 1.091 271 D HN 0.336 nan 8.370 nan 0.000 0.429 272 V N 0.592 120.501 119.914 -0.008 0.000 2.583 272 V HA 0.153 4.274 4.120 0.001 0.000 0.287 272 V C 0.836 176.911 176.094 -0.031 0.000 1.051 272 V CA 0.267 62.554 62.300 -0.020 0.000 1.010 272 V CB 1.617 33.425 31.823 -0.025 0.000 0.988 272 V HN 0.008 nan 8.190 nan 0.000 0.478 273 E N 4.780 124.968 120.200 -0.020 0.000 2.199 273 E HA 0.588 4.938 4.350 0.001 0.000 0.265 273 E C -1.208 175.329 176.600 -0.104 0.000 0.882 273 E CA -0.485 55.920 56.400 0.009 0.000 0.759 273 E CB 2.396 32.151 29.700 0.091 0.000 1.148 273 E HN 0.529 nan 8.360 nan 0.000 0.412 274 I N 2.512 122.988 120.570 -0.157 0.000 2.439 274 I HA 0.215 4.385 4.170 0.001 0.000 0.285 274 I C -0.066 175.806 176.117 -0.408 0.000 1.021 274 I CA -0.771 60.401 61.300 -0.214 0.000 1.091 274 I CB 1.413 39.350 38.000 -0.104 0.000 1.242 274 I HN 0.450 nan 8.210 nan 0.000 0.439 275 D N 4.155 124.221 120.400 -0.556 0.000 2.414 275 D HA 0.217 4.858 4.640 0.001 0.000 0.251 275 D C -0.142 176.012 176.300 -0.245 0.000 1.252 275 D CA -0.168 53.419 54.000 -0.687 0.000 0.999 275 D CB 1.663 42.111 40.800 -0.587 0.000 1.093 275 D HN 0.251 nan 8.370 nan 0.000 0.515 276 V N 0.016 119.848 119.914 -0.137 0.000 2.843 276 V HA 0.227 4.347 4.120 0.001 0.000 0.305 276 V C 0.262 176.343 176.094 -0.023 0.000 1.065 276 V CA -0.868 61.425 62.300 -0.012 0.000 1.116 276 V CB 0.480 32.323 31.823 0.032 0.000 0.968 276 V HN 0.700 nan 8.190 nan 0.000 0.487 277 N N 0.651 119.368 118.700 0.028 0.000 2.756 277 N HA -0.129 4.612 4.740 0.001 0.000 0.248 277 N C -0.478 175.025 175.510 -0.012 0.000 1.062 277 N CA 0.921 53.983 53.050 0.019 0.000 0.696 277 N CB -1.279 37.227 38.487 0.032 0.000 0.946 277 N HN 0.738 nan 8.380 nan 0.000 0.548 278 V N 1.125 121.043 119.914 0.006 0.000 2.532 278 V HA 0.540 4.661 4.120 0.001 0.000 0.295 278 V C 0.891 176.920 176.094 -0.108 0.000 1.041 278 V CA -0.534 61.753 62.300 -0.022 0.000 0.926 278 V CB 2.198 34.045 31.823 0.041 0.000 0.992 278 V HN 0.127 nan 8.190 nan 0.000 0.457 279 I N 5.232 125.734 120.570 -0.113 0.000 2.436 279 I HA 0.461 4.631 4.170 0.001 0.000 0.289 279 I C -0.978 175.060 176.117 -0.132 0.000 1.010 279 I CA -0.513 60.685 61.300 -0.169 0.000 1.098 279 I CB 1.825 39.769 38.000 -0.093 0.000 1.266 279 I HN 0.295 nan 8.210 nan 0.000 0.434 280 I N 5.849 126.309 120.570 -0.184 0.000 2.362 280 I HA 0.442 4.612 4.170 0.001 0.000 0.289 280 I C -0.111 175.971 176.117 -0.059 0.000 0.994 280 I CA -0.449 60.802 61.300 -0.082 0.000 1.158 280 I CB 1.375 39.355 38.000 -0.033 0.000 1.315 280 I HN 0.637 nan 8.210 nan 0.000 0.451 281 E N 3.184 123.370 120.200 -0.022 0.000 2.317 281 E HA 0.657 5.007 4.350 0.001 0.000 0.270 281 E C 0.276 176.880 176.600 0.006 0.000 0.885 281 E CA -0.696 55.699 56.400 -0.008 0.000 0.760 281 E CB 2.661 32.355 29.700 -0.010 0.000 1.227 281 E HN 0.774 nan 8.360 nan 0.000 0.434 282 G N 2.724 111.531 108.800 0.011 0.000 2.552 282 G HA2 -0.268 3.693 3.960 0.001 0.000 0.265 282 G HA3 -0.268 3.693 3.960 0.001 0.000 0.265 282 G C -0.520 174.392 174.900 0.020 0.000 1.234 282 G CA -0.479 44.628 45.100 0.011 0.000 0.944 282 G HN 0.548 nan 8.290 nan 0.000 0.568 283 N N 0.466 119.176 118.700 0.016 0.000 2.457 283 N HA 0.508 5.248 4.740 0.001 0.000 0.250 283 N C -0.551 174.973 175.510 0.022 0.000 0.982 283 N CA -0.128 52.935 53.050 0.021 0.000 0.941 283 N CB 1.757 40.252 38.487 0.015 0.000 1.120 283 N HN 0.521 nan 8.380 nan 0.000 0.505 284 V N 2.142 122.076 119.914 0.033 0.000 2.540 284 V HA 0.381 4.502 4.120 0.001 0.000 0.302 284 V C 0.075 176.193 176.094 0.040 0.000 1.035 284 V CA -0.805 61.515 62.300 0.034 0.000 0.873 284 V CB 2.343 34.191 31.823 0.041 0.000 0.992 284 V HN 0.471 nan 8.190 nan 0.000 0.428 285 K N 5.097 125.515 120.400 0.030 0.000 2.413 285 K HA 0.711 5.031 4.320 0.001 0.000 0.257 285 K C -1.662 174.956 176.600 0.029 0.000 0.946 285 K CA -0.583 55.721 56.287 0.028 0.000 0.823 285 K CB 1.308 33.816 32.500 0.012 0.000 1.109 285 K HN 0.625 nan 8.250 nan 0.000 0.427 286 L N 3.517 124.767 121.223 0.046 0.000 2.341 286 L HA 0.503 4.844 4.340 0.001 0.000 0.278 286 L C 0.818 177.711 176.870 0.039 0.000 1.005 286 L CA -1.041 53.824 54.840 0.041 0.000 0.818 286 L CB 1.838 43.931 42.059 0.057 0.000 1.259 286 L HN 0.806 nan 8.230 nan 0.000 0.418 287 G N 1.125 109.937 108.800 0.019 0.000 2.553 287 G HA2 0.145 4.105 3.960 0.001 0.000 0.278 287 G HA3 0.145 4.105 3.960 0.001 0.000 0.278 287 G C -0.455 174.458 174.900 0.022 0.000 1.349 287 G CA -0.566 44.542 45.100 0.014 0.000 1.037 287 G HN 0.564 nan 8.290 nan 0.000 0.508 288 D N -0.102 120.307 120.400 0.015 0.000 2.455 288 D HA 0.158 4.798 4.640 0.001 0.000 0.241 288 D C 0.819 177.124 176.300 0.008 0.000 1.138 288 D CA 0.420 54.430 54.000 0.016 0.000 0.877 288 D CB 0.613 41.419 40.800 0.009 0.000 1.187 288 D HN 0.468 nan 8.370 nan 0.000 0.451 289 R N -0.625 119.880 120.500 0.009 0.000 3.770 289 R HA -0.155 4.185 4.340 0.001 0.000 0.305 289 R C -0.405 175.891 176.300 -0.007 0.000 1.184 289 R CA 0.039 56.139 56.100 0.001 0.000 0.823 289 R CB -1.972 28.326 30.300 -0.002 0.000 1.285 289 R HN 0.226 nan 8.270 nan 0.000 0.499 290 V N 1.489 121.400 119.914 -0.006 0.000 2.637 290 V HA 0.090 4.210 4.120 0.001 0.000 0.296 290 V C 0.839 176.917 176.094 -0.028 0.000 1.046 290 V CA 0.454 62.743 62.300 -0.017 0.000 1.066 290 V CB 1.289 33.106 31.823 -0.010 0.000 0.968 290 V HN 0.111 nan 8.190 nan 0.000 0.483 291 K N 5.951 126.325 120.400 -0.043 0.000 2.323 291 K HA 0.635 4.955 4.320 0.001 0.000 0.259 291 K C -1.149 175.396 176.600 -0.091 0.000 0.947 291 K CA -0.469 55.781 56.287 -0.063 0.000 0.819 291 K CB 2.136 34.604 32.500 -0.052 0.000 1.109 291 K HN 0.496 nan 8.250 nan 0.000 0.429 292 I N 2.094 122.591 120.570 -0.121 0.000 2.362 292 I HA 0.271 4.442 4.170 0.001 0.000 0.289 292 I C 0.700 176.694 176.117 -0.205 0.000 0.994 292 I CA -0.703 60.516 61.300 -0.135 0.000 1.158 292 I CB 1.810 39.754 38.000 -0.094 0.000 1.315 292 I HN 0.676 nan 8.210 nan 0.000 0.451 293 G N 3.205 111.876 108.800 -0.215 0.000 2.580 293 G HA2 0.262 4.223 3.960 0.001 0.000 0.278 293 G HA3 0.262 4.223 3.960 0.001 0.000 0.278 293 G C -0.123 174.586 174.900 -0.318 0.000 1.212 293 G CA -0.273 44.665 45.100 -0.270 0.000 0.939 293 G HN 0.477 nan 8.290 nan 0.000 0.513 294 T N -1.240 113.093 114.554 -0.370 0.000 2.940 294 T HA 0.397 4.747 4.350 0.001 0.000 0.309 294 T C 1.571 175.907 174.700 -0.607 0.000 1.056 294 T CA 1.744 63.611 62.100 -0.388 0.000 1.137 294 T CB 0.029 68.714 68.868 -0.305 0.000 0.976 294 T HN 2.017 nan 8.240 nan 0.000 0.547 295 G N 2.753 111.331 108.800 -0.370 0.000 2.148 295 G HA2 -0.238 3.723 3.960 0.001 0.000 0.254 295 G HA3 -0.238 3.723 3.960 0.001 0.000 0.254 295 G C 0.520 175.332 174.900 -0.147 0.000 0.981 295 G CA 0.053 45.004 45.100 -0.249 0.000 0.670 295 G HN 0.956 nan 8.290 nan 0.000 0.528 296 C N -0.072 119.125 119.300 -0.173 0.000 2.604 296 C HA 0.617 5.077 4.460 0.001 0.000 0.396 296 C C 0.926 175.891 174.990 -0.043 0.000 1.282 296 C CA -0.402 58.557 59.018 -0.099 0.000 2.292 296 C CB 1.222 28.892 27.740 -0.117 0.000 2.633 296 C HN 0.440 nan 8.230 nan 0.000 0.620 297 V N 4.544 124.448 119.914 -0.016 0.000 2.443 297 V HA 0.442 4.562 4.120 0.001 0.000 0.293 297 V C -0.375 175.714 176.094 -0.008 0.000 1.021 297 V CA -0.237 62.057 62.300 -0.009 0.000 0.848 297 V CB 1.173 33.003 31.823 0.012 0.000 0.998 297 V HN 0.643 nan 8.190 nan 0.000 0.424 298 L N 4.921 126.137 121.223 -0.013 0.000 2.343 298 L HA 0.645 4.986 4.340 0.001 0.000 0.278 298 L C -0.362 176.506 176.870 -0.003 0.000 0.996 298 L CA -0.522 54.315 54.840 -0.005 0.000 0.831 298 L CB 1.962 44.020 42.059 -0.001 0.000 1.232 298 L HN 0.601 nan 8.230 nan 0.000 0.413 299 K N 4.471 124.872 120.400 0.002 0.000 2.502 299 K HA 0.309 4.630 4.320 0.001 0.000 0.254 299 K C -0.616 175.987 176.600 0.005 0.000 0.947 299 K CA -0.513 55.776 56.287 0.003 0.000 0.834 299 K CB 0.868 33.370 32.500 0.003 0.000 1.112 299 K HN 0.573 nan 8.250 nan 0.000 0.427 300 N N 1.334 120.038 118.700 0.007 0.000 2.681 300 N HA -0.163 4.577 4.740 0.001 0.000 0.259 300 N C -0.941 174.572 175.510 0.006 0.000 1.066 300 N CA 1.256 54.310 53.050 0.007 0.000 0.717 300 N CB -1.118 37.371 38.487 0.004 0.000 0.885 300 N HN 0.455 nan 8.380 nan 0.000 0.547 301 V N -2.714 117.204 119.914 0.008 0.000 2.962 301 V HA 0.841 4.961 4.120 0.001 0.000 0.313 301 V C -0.157 175.941 176.094 0.006 0.000 1.099 301 V CA -0.719 61.584 62.300 0.005 0.000 0.971 301 V CB 2.999 34.824 31.823 0.003 0.000 1.028 301 V HN -0.081 nan 8.190 nan 0.000 0.430 302 V N 5.732 125.647 119.914 0.002 0.000 2.409 302 V HA 0.587 4.707 4.120 0.001 0.000 0.291 302 V C -0.506 175.586 176.094 -0.003 0.000 1.020 302 V CA -0.432 61.869 62.300 0.001 0.000 0.848 302 V CB 1.354 33.176 31.823 -0.001 0.000 0.990 302 V HN 0.753 nan 8.190 nan 0.000 0.430 303 I N 4.000 124.569 120.570 -0.002 0.000 2.406 303 I HA 0.525 4.696 4.170 0.001 0.000 0.290 303 I C 0.872 176.984 176.117 -0.009 0.000 0.999 303 I CA -0.068 61.227 61.300 -0.009 0.000 1.124 303 I CB 1.464 39.459 38.000 -0.009 0.000 1.289 303 I HN 0.688 nan 8.210 nan 0.000 0.441 304 G N 5.031 113.821 108.800 -0.016 0.000 2.621 304 G HA2 0.161 4.121 3.960 0.001 0.000 0.271 304 G HA3 0.161 4.121 3.960 0.001 0.000 0.271 304 G C 0.166 175.057 174.900 -0.016 0.000 1.236 304 G CA -0.492 44.598 45.100 -0.015 0.000 0.958 304 G HN 0.609 nan 8.290 nan 0.000 0.512 305 N N 0.788 119.480 118.700 -0.014 0.000 2.407 305 N HA 0.077 4.817 4.740 0.001 0.000 0.250 305 N C 0.199 175.697 175.510 -0.020 0.000 1.236 305 N CA 0.326 53.369 53.050 -0.012 0.000 0.879 305 N CB 0.435 38.916 38.487 -0.010 0.000 1.088 305 N HN 0.556 nan 8.380 nan 0.000 0.450 306 D N -1.395 118.994 120.400 -0.018 0.000 3.041 306 D HA -0.156 4.484 4.640 0.001 0.000 0.220 306 D C -0.709 175.569 176.300 -0.037 0.000 1.157 306 D CA 0.506 54.492 54.000 -0.024 0.000 0.876 306 D CB -1.203 39.584 40.800 -0.022 0.000 1.107 306 D HN 0.156 nan 8.370 nan 0.000 0.422 307 V N 0.809 120.700 119.914 -0.039 0.000 2.583 307 V HA 0.188 4.309 4.120 0.001 0.000 0.287 307 V C 0.709 176.771 176.094 -0.053 0.000 1.051 307 V CA 0.021 62.290 62.300 -0.053 0.000 1.010 307 V CB 1.850 33.643 31.823 -0.050 0.000 0.988 307 V HN 0.083 nan 8.190 nan 0.000 0.478 308 E N 4.593 124.754 120.200 -0.064 0.000 2.158 308 E HA 0.515 4.865 4.350 0.001 0.000 0.271 308 E C -1.242 175.311 176.600 -0.078 0.000 0.911 308 E CA -0.639 55.721 56.400 -0.067 0.000 0.767 308 E CB 1.288 30.951 29.700 -0.061 0.000 1.120 308 E HN 0.637 nan 8.360 nan 0.000 0.405 309 I N 4.801 125.319 120.570 -0.086 0.000 2.330 309 I HA 0.281 4.451 4.170 0.001 0.000 0.289 309 I C 0.215 176.254 176.117 -0.130 0.000 1.001 309 I CA -0.683 60.558 61.300 -0.098 0.000 1.193 309 I CB 1.238 39.185 38.000 -0.088 0.000 1.345 309 I HN 0.350 nan 8.210 nan 0.000 0.461 310 K N 6.602 126.917 120.400 -0.141 0.000 2.102 310 K HA 0.412 4.733 4.320 0.001 0.000 0.244 310 K C -2.389 174.057 176.600 -0.256 0.000 1.021 310 K CA -1.528 54.652 56.287 -0.179 0.000 0.913 310 K CB 0.405 32.812 32.500 -0.155 0.000 1.062 310 K HN 0.199 nan 8.250 nan 0.000 0.485 311 P HA -0.107 nan 4.420 nan 0.000 0.267 311 P C -1.105 175.864 177.300 -0.551 0.000 1.201 311 P CA 0.526 63.295 63.100 -0.551 0.000 0.775 311 P CB 0.058 31.395 31.700 -0.605 0.000 0.854 312 Y N -1.675 118.472 120.300 -0.255 0.000 3.389 312 Y HA -0.218 4.333 4.550 0.001 0.000 0.213 312 Y C 0.106 175.930 175.900 -0.127 0.000 1.272 312 Y CA -0.028 57.956 58.100 -0.193 0.000 1.444 312 Y CB -2.513 35.785 38.460 -0.270 0.000 1.445 312 Y HN 0.155 nan 8.280 nan 0.000 0.583 313 S N 0.107 115.777 115.700 -0.050 0.000 2.475 313 S HA 0.735 5.205 4.470 0.001 0.000 0.298 313 S C -0.041 174.569 174.600 0.016 0.000 1.119 313 S CA -0.863 57.331 58.200 -0.010 0.000 1.085 313 S CB 2.375 65.539 63.200 -0.059 0.000 1.028 313 S HN 0.109 nan 8.310 nan 0.000 0.489 314 V N 4.366 124.306 119.914 0.044 0.000 2.407 314 V HA 0.492 4.612 4.120 0.001 0.000 0.291 314 V C -1.220 174.893 176.094 0.032 0.000 1.018 314 V CA -0.595 61.731 62.300 0.043 0.000 0.842 314 V CB 1.044 32.907 31.823 0.067 0.000 0.996 314 V HN 0.624 nan 8.190 nan 0.000 0.426 315 L N 4.453 125.687 121.223 0.017 0.000 2.385 315 L HA 0.697 5.038 4.340 0.001 0.000 0.273 315 L C -0.325 176.552 176.870 0.013 0.000 0.990 315 L CA -0.202 54.646 54.840 0.013 0.000 0.821 315 L CB 1.949 44.009 42.059 0.001 0.000 1.279 315 L HN 0.713 nan 8.230 nan 0.000 0.412 316 E N 1.963 122.172 120.200 0.015 0.000 2.290 316 E HA 0.308 4.658 4.350 0.001 0.000 0.274 316 E C -1.244 175.363 176.600 0.011 0.000 0.889 316 E CA -0.500 55.908 56.400 0.013 0.000 0.760 316 E CB 1.218 30.927 29.700 0.016 0.000 1.206 316 E HN 0.620 nan 8.360 nan 0.000 0.419 317 D N 2.038 122.443 120.400 0.007 0.000 2.697 317 D HA -0.139 4.501 4.640 0.001 0.000 0.238 317 D C -1.190 175.113 176.300 0.005 0.000 1.152 317 D CA 1.242 55.246 54.000 0.006 0.000 0.666 317 D CB -0.912 39.892 40.800 0.006 0.000 1.037 317 D HN 0.247 nan 8.370 nan 0.000 0.423 318 S N -0.560 115.142 115.700 0.003 0.000 2.595 318 S HA 0.794 5.264 4.470 0.001 0.000 0.281 318 S C 0.140 174.738 174.600 -0.003 0.000 1.117 318 S CA -0.688 57.512 58.200 0.001 0.000 0.873 318 S CB 2.451 65.651 63.200 0.001 0.000 1.108 318 S HN 0.183 nan 8.310 nan 0.000 0.477 319 I N 1.504 122.071 120.570 -0.006 0.000 2.545 319 I HA 0.583 4.753 4.170 0.001 0.000 0.292 319 I C -1.246 174.863 176.117 -0.013 0.000 1.040 319 I CA -0.834 60.461 61.300 -0.008 0.000 1.068 319 I CB 2.034 40.030 38.000 -0.007 0.000 1.251 319 I HN 0.237 nan 8.210 nan 0.000 0.424 320 V N 4.340 124.243 119.914 -0.017 0.000 2.525 320 V HA 0.566 4.686 4.120 0.001 0.000 0.299 320 V C 0.514 176.591 176.094 -0.028 0.000 1.034 320 V CA -0.600 61.685 62.300 -0.026 0.000 0.863 320 V CB 1.614 33.419 31.823 -0.031 0.000 0.999 320 V HN 0.899 nan 8.190 nan 0.000 0.423 321 G N 2.996 111.776 108.800 -0.032 0.000 2.599 321 G HA2 0.457 4.418 3.960 0.001 0.000 0.264 321 G HA3 0.457 4.418 3.960 0.001 0.000 0.264 321 G C -0.007 174.870 174.900 -0.039 0.000 1.200 321 G CA -0.445 44.636 45.100 -0.030 0.000 0.896 321 G HN 0.919 nan 8.290 nan 0.000 0.536 322 E N -0.600 119.581 120.200 -0.033 0.000 2.413 322 E HA 0.174 4.524 4.350 0.001 0.000 0.263 322 E C -0.154 176.416 176.600 -0.050 0.000 1.015 322 E CA -0.031 56.348 56.400 -0.035 0.000 0.916 322 E CB 0.482 30.167 29.700 -0.024 0.000 0.947 322 E HN 0.560 nan 8.360 nan 0.000 0.440 323 K N -0.551 119.817 120.400 -0.055 0.000 3.407 323 K HA -0.239 4.081 4.320 0.001 0.000 0.312 323 K C 0.024 176.549 176.600 -0.124 0.000 1.302 323 K CA 0.587 56.831 56.287 -0.071 0.000 0.931 323 K CB -2.018 30.450 32.500 -0.053 0.000 1.257 323 K HN 0.698 nan 8.250 nan 0.000 0.454 324 A N 0.899 123.642 122.820 -0.127 0.000 2.386 324 A HA 0.611 4.932 4.320 0.001 0.000 0.246 324 A C 0.320 177.797 177.584 -0.178 0.000 1.089 324 A CA 0.439 52.366 52.037 -0.183 0.000 0.790 324 A CB 0.507 19.431 19.000 -0.127 0.000 1.042 324 A HN 0.480 nan 8.150 nan 0.000 0.497 325 A N 1.381 124.069 122.820 -0.220 0.000 2.353 325 A HA 0.632 4.953 4.320 0.001 0.000 0.299 325 A C -0.791 176.732 177.584 -0.101 0.000 1.089 325 A CA -0.391 51.560 52.037 -0.143 0.000 0.736 325 A CB 0.609 19.532 19.000 -0.128 0.000 1.195 325 A HN 0.587 nan 8.150 nan 0.000 0.447 326 I N 1.672 122.193 120.570 -0.082 0.000 2.509 326 I HA 0.800 4.971 4.170 0.001 0.000 0.293 326 I C 0.758 176.826 176.117 -0.081 0.000 1.020 326 I CA 0.305 61.564 61.300 -0.069 0.000 1.088 326 I CB 0.742 38.705 38.000 -0.061 0.000 1.267 326 I HN 1.346 nan 8.210 nan 0.000 0.430 327 G N 7.173 115.925 108.800 -0.081 0.000 2.685 327 G HA2 -0.060 3.901 3.960 0.001 0.000 0.387 327 G HA3 -0.060 3.901 3.960 0.001 0.000 0.387 327 G C -3.138 171.684 174.900 -0.130 0.000 1.324 327 G CA -0.954 44.078 45.100 -0.114 0.000 0.878 327 G HN 0.482 nan 8.290 nan 0.000 0.527 328 P HA 0.532 nan 4.420 nan 0.000 0.276 328 P C 0.266 177.433 177.300 -0.222 0.000 1.261 328 P CA 0.113 63.027 63.100 -0.311 0.000 0.800 328 P CB 0.070 31.478 31.700 -0.486 0.000 1.066 329 F N -3.158 116.767 119.950 -0.042 0.000 3.091 329 F HA -0.190 4.337 4.527 0.000 0.000 0.288 329 F C 0.339 176.097 175.800 -0.070 0.000 0.907 329 F CA 0.609 58.581 58.000 -0.046 0.000 1.028 329 F CB -2.890 35.986 39.000 -0.207 0.000 1.022 329 F HN 0.027 nan 8.300 nan 0.000 0.665 330 S N -0.459 115.283 115.700 0.069 0.000 2.565 330 S HA 0.767 5.238 4.470 0.001 0.000 0.290 330 S C 0.113 174.759 174.600 0.076 0.000 1.150 330 S CA -0.812 57.419 58.200 0.051 0.000 1.058 330 S CB 2.228 65.427 63.200 -0.002 0.000 1.032 330 S HN 0.363 nan 8.310 nan 0.000 0.510 331 R N 2.470 123.020 120.500 0.083 0.000 2.435 331 R HA 0.486 4.826 4.340 0.001 0.000 0.308 331 R C -1.756 174.583 176.300 0.065 0.000 0.975 331 R CA -0.246 55.904 56.100 0.084 0.000 0.867 331 R CB 0.236 30.602 30.300 0.110 0.000 1.171 331 R HN 0.597 nan 8.270 nan 0.000 0.470 332 L N 5.229 126.480 121.223 0.045 0.000 2.280 332 L HA 0.587 4.928 4.340 0.001 0.000 0.287 332 L C 0.372 177.265 176.870 0.038 0.000 1.023 332 L CA -0.751 54.109 54.840 0.034 0.000 0.819 332 L CB 1.594 43.663 42.059 0.015 0.000 1.212 332 L HN 0.547 nan 8.230 nan 0.000 0.420 333 R N 3.004 123.532 120.500 0.046 0.000 2.691 333 R HA 0.466 4.806 4.340 0.001 0.000 0.259 333 R C -2.400 173.919 176.300 0.032 0.000 1.048 333 R CA -1.887 54.240 56.100 0.046 0.000 1.086 333 R CB 0.854 31.196 30.300 0.070 0.000 1.166 333 R HN 0.279 nan 8.270 nan 0.000 0.526 334 P HA -0.081 nan 4.420 nan 0.000 0.263 334 P C 0.268 177.577 177.300 0.016 0.000 1.175 334 P CA 1.277 64.388 63.100 0.018 0.000 0.761 334 P CB 0.405 32.114 31.700 0.016 0.000 0.794 335 G N 1.652 110.457 108.800 0.009 0.000 2.157 335 G HA2 -0.171 3.789 3.960 0.001 0.000 0.248 335 G HA3 -0.171 3.789 3.960 0.001 0.000 0.248 335 G C 0.363 175.264 174.900 0.001 0.000 0.979 335 G CA -0.073 45.031 45.100 0.006 0.000 0.650 335 G HN 0.841 nan 8.290 nan 0.000 0.529 336 A N 0.294 123.115 122.820 0.002 0.000 2.409 336 A HA 0.613 4.934 4.320 0.001 0.000 0.267 336 A C 0.336 177.916 177.584 -0.007 0.000 1.127 336 A CA 0.263 52.297 52.037 -0.005 0.000 0.795 336 A CB 0.257 19.256 19.000 -0.001 0.000 1.061 336 A HN 0.492 nan 8.150 nan 0.000 0.502 337 E N 2.955 123.149 120.200 -0.010 0.000 2.235 337 E HA 0.412 4.762 4.350 0.001 0.000 0.252 337 E C -1.387 175.205 176.600 -0.013 0.000 0.886 337 E CA -0.272 56.122 56.400 -0.010 0.000 0.767 337 E CB 1.573 31.268 29.700 -0.008 0.000 1.205 337 E HN 0.615 nan 8.360 nan 0.000 0.421 338 L N 2.327 123.540 121.223 -0.017 0.000 2.282 338 L HA 0.621 4.961 4.340 0.001 0.000 0.288 338 L C 0.512 177.369 176.870 -0.022 0.000 1.033 338 L CA -0.824 54.004 54.840 -0.020 0.000 0.807 338 L CB 1.317 43.359 42.059 -0.028 0.000 1.209 338 L HN 0.533 nan 8.230 nan 0.000 0.423 339 A N 2.693 125.502 122.820 -0.018 0.000 2.267 339 A HA 0.700 5.020 4.320 0.001 0.000 0.271 339 A C 0.500 178.067 177.584 -0.029 0.000 1.131 339 A CA -0.032 51.995 52.037 -0.017 0.000 0.818 339 A CB 0.319 19.314 19.000 -0.008 0.000 1.118 339 A HN 0.818 nan 8.150 nan 0.000 0.501 340 A N -0.924 121.880 122.820 -0.026 0.000 2.520 340 A HA 0.409 4.729 4.320 0.001 0.000 0.235 340 A C 0.629 178.186 177.584 -0.046 0.000 1.065 340 A CA 0.807 52.822 52.037 -0.036 0.000 0.764 340 A CB -0.661 18.325 19.000 -0.023 0.000 1.002 340 A HN 1.131 nan 8.150 nan 0.000 0.502 341 E N -0.957 119.193 120.200 -0.084 0.000 2.971 341 E HA -0.205 4.145 4.350 0.001 0.000 0.278 341 E C 0.292 176.786 176.600 -0.176 0.000 1.009 341 E CA 0.886 57.215 56.400 -0.117 0.000 0.862 341 E CB -2.426 27.262 29.700 -0.019 0.000 1.436 341 E HN 1.039 nan 8.360 nan 0.000 0.434 342 T N -1.519 112.929 114.554 -0.177 0.000 2.849 342 T HA 0.470 4.820 4.350 0.001 0.000 0.284 342 T C -0.110 174.387 174.700 -0.337 0.000 1.004 342 T CA -0.499 61.537 62.100 -0.106 0.000 1.021 342 T CB 1.122 69.967 68.868 -0.038 0.000 1.013 342 T HN 0.197 nan 8.240 nan 0.000 0.527 343 H N -1.055 117.997 119.070 -0.031 0.000 2.840 343 H HA 0.617 5.174 4.556 0.001 0.000 0.340 343 H C -1.069 174.229 175.328 -0.051 0.000 1.004 343 H CA -0.700 55.322 56.048 -0.043 0.000 1.288 343 H CB 1.532 31.267 29.762 -0.045 0.000 1.607 343 H HN 0.522 nan 8.280 nan 0.000 0.522 344 V N 2.817 122.748 119.914 0.029 0.000 2.531 344 V HA 0.729 4.849 4.120 0.001 0.000 0.301 344 V C 0.607 176.680 176.094 -0.035 0.000 1.034 344 V CA -0.469 61.829 62.300 -0.004 0.000 0.865 344 V CB 1.764 33.580 31.823 -0.012 0.000 0.995 344 V HN 0.960 nan 8.190 nan 0.000 0.424 345 G N 3.232 111.993 108.800 -0.064 0.000 2.971 345 G HA2 0.366 4.327 3.960 0.001 0.000 0.235 345 G HA3 0.366 4.327 3.960 0.001 0.000 0.235 345 G C -0.288 174.532 174.900 -0.133 0.000 1.351 345 G CA -0.987 44.040 45.100 -0.122 0.000 1.039 345 G HN 0.827 nan 8.290 nan 0.000 0.563 346 N N -1.229 117.332 118.700 -0.232 0.000 2.492 346 N HA 0.181 4.921 4.740 0.001 0.000 0.262 346 N C -0.800 174.450 175.510 -0.433 0.000 1.202 346 N CA -0.243 52.502 53.050 -0.508 0.000 0.926 346 N CB 0.417 38.377 38.487 -0.879 0.000 1.078 346 N HN 0.388 nan 8.380 nan 0.000 0.454 347 F N -1.716 118.327 119.950 0.154 0.000 3.071 347 F HA -0.179 4.348 4.527 0.000 0.000 0.295 347 F C -0.879 174.979 175.800 0.096 0.000 0.919 347 F CA -0.269 57.787 58.000 0.093 0.000 1.050 347 F CB -2.292 36.731 39.000 0.039 0.000 1.040 347 F HN 0.254 nan 8.300 nan 0.000 0.692 348 V N 0.141 120.153 119.914 0.164 0.000 2.555 348 V HA 0.562 4.682 4.120 0.001 0.000 0.302 348 V C 0.099 176.273 176.094 0.133 0.000 1.038 348 V CA -1.026 61.355 62.300 0.134 0.000 0.887 348 V CB 2.316 34.181 31.823 0.071 0.000 0.991 348 V HN 0.297 nan 8.190 nan 0.000 0.434 349 E N 4.656 124.952 120.200 0.160 0.000 2.191 349 E HA 0.604 4.954 4.350 0.001 0.000 0.263 349 E C -1.649 175.026 176.600 0.124 0.000 0.881 349 E CA -0.567 55.943 56.400 0.183 0.000 0.757 349 E CB 1.644 31.514 29.700 0.283 0.000 1.147 349 E HN 0.657 nan 8.360 nan 0.000 0.414 350 I N 4.565 125.173 120.570 0.063 0.000 2.436 350 I HA 0.365 4.535 4.170 0.001 0.000 0.289 350 I C -0.385 175.739 176.117 0.012 0.000 1.010 350 I CA -0.762 60.526 61.300 -0.020 0.000 1.098 350 I CB 1.760 39.745 38.000 -0.024 0.000 1.266 350 I HN 0.325 nan 8.210 nan 0.000 0.434 351 K N 6.929 127.315 120.400 -0.024 0.000 2.471 351 K HA 0.265 4.586 4.320 0.001 0.000 0.252 351 K C -0.382 176.214 176.600 -0.007 0.000 0.938 351 K CA -0.752 55.555 56.287 0.034 0.000 0.796 351 K CB 1.608 34.197 32.500 0.149 0.000 1.161 351 K HN 0.545 nan 8.250 nan 0.000 0.425 352 K N 2.063 122.466 120.400 0.006 0.000 3.490 352 K HA -0.154 4.166 4.320 0.001 0.000 0.273 352 K C -1.494 175.096 176.600 -0.017 0.000 0.916 352 K CA 0.810 57.097 56.287 0.000 0.000 0.718 352 K CB -1.077 31.430 32.500 0.012 0.000 1.477 352 K HN 0.608 nan 8.250 nan 0.000 0.452 353 S N -0.156 115.528 115.700 -0.026 0.000 2.546 353 S HA 0.425 4.895 4.470 0.001 0.000 0.274 353 S C -0.640 173.945 174.600 -0.025 0.000 1.121 353 S CA -0.529 57.649 58.200 -0.036 0.000 0.887 353 S CB 2.078 65.237 63.200 -0.070 0.000 1.094 353 S HN 0.386 nan 8.310 nan 0.000 0.474 354 T N -0.842 113.700 114.554 -0.021 0.000 2.824 354 T HA 0.780 5.130 4.350 0.001 0.000 0.280 354 T C -0.732 173.958 174.700 -0.017 0.000 0.995 354 T CA -0.685 61.406 62.100 -0.015 0.000 1.009 354 T CB 0.982 69.845 68.868 -0.008 0.000 0.955 354 T HN 0.317 nan 8.240 nan 0.000 0.452 355 V N 2.603 122.509 119.914 -0.014 0.000 2.483 355 V HA 0.710 4.831 4.120 0.001 0.000 0.297 355 V C 0.926 177.018 176.094 -0.004 0.000 1.027 355 V CA -0.768 61.526 62.300 -0.011 0.000 0.855 355 V CB 1.512 33.328 31.823 -0.012 0.000 0.995 355 V HN 1.258 nan 8.190 nan 0.000 0.424 356 G N 2.598 111.399 108.800 0.002 0.000 2.580 356 G HA2 0.372 4.332 3.960 0.001 0.000 0.278 356 G HA3 0.372 4.332 3.960 0.001 0.000 0.278 356 G C -0.196 174.712 174.900 0.013 0.000 1.212 356 G CA -0.617 44.486 45.100 0.006 0.000 0.939 356 G HN 0.745 nan 8.290 nan 0.000 0.513 357 K N -0.421 119.986 120.400 0.013 0.000 2.484 357 K HA 0.304 4.624 4.320 0.001 0.000 0.280 357 K C 1.336 177.958 176.600 0.038 0.000 1.013 357 K CA 1.075 57.372 56.287 0.017 0.000 1.029 357 K CB -0.116 32.392 32.500 0.013 0.000 0.902 357 K HN 1.186 nan 8.250 nan 0.000 0.481 358 G N 2.280 111.115 108.800 0.059 0.000 2.205 358 G HA2 -0.271 3.689 3.960 0.001 0.000 0.261 358 G HA3 -0.271 3.689 3.960 0.001 0.000 0.261 358 G C 0.001 174.983 174.900 0.136 0.000 0.980 358 G CA 0.392 45.560 45.100 0.113 0.000 0.632 358 G HN 0.640 nan 8.290 nan 0.000 0.533 359 S N 0.739 116.497 115.700 0.097 0.000 2.585 359 S HA 0.522 4.993 4.470 0.001 0.000 0.273 359 S C 0.341 175.011 174.600 0.117 0.000 1.339 359 S CA 0.512 58.756 58.200 0.073 0.000 1.028 359 S CB 1.090 64.311 63.200 0.035 0.000 0.906 359 S HN 0.796 nan 8.310 nan 0.000 0.528 360 K N -0.246 120.183 120.400 0.049 0.000 2.397 360 K HA 0.647 4.967 4.320 0.001 0.000 0.253 360 K C -1.777 174.826 176.600 0.005 0.000 0.932 360 K CA -0.867 55.441 56.287 0.036 0.000 0.795 360 K CB 1.488 33.941 32.500 -0.078 0.000 1.159 360 K HN 0.284 nan 8.250 nan 0.000 0.424 361 V N 3.169 123.091 119.914 0.014 0.000 2.380 361 V HA 0.150 4.270 4.120 0.001 0.000 0.268 361 V C -0.429 175.662 176.094 -0.005 0.000 1.008 361 V CA -0.816 61.489 62.300 0.007 0.000 0.823 361 V CB 0.552 32.376 31.823 0.002 0.000 1.053 361 V HN 0.840 nan 8.190 nan 0.000 0.446 362 N N 2.013 120.694 118.700 -0.031 0.000 2.282 362 N HA 0.162 4.902 4.740 0.001 0.000 0.185 362 N C 0.155 175.431 175.510 -0.390 0.000 1.099 362 N CA 0.386 53.275 53.050 -0.268 0.000 0.878 362 N CB 0.329 38.532 38.487 -0.473 0.000 0.993 362 N HN 0.829 nan 8.380 nan 0.000 0.481 363 H N -1.097 117.992 119.070 0.031 0.000 3.087 363 H HA 0.196 4.752 4.556 0.001 0.000 0.348 363 H C -0.144 175.246 175.328 0.104 0.000 1.092 363 H CA -0.858 55.236 56.048 0.076 0.000 1.285 363 H CB 1.451 31.265 29.762 0.088 0.000 1.875 363 H HN -0.233 nan 8.280 nan 0.000 0.512 364 L N 1.151 122.558 121.223 0.307 0.000 3.660 364 L HA -0.200 4.140 4.340 0.001 0.000 0.440 364 L C -0.670 176.296 176.870 0.160 0.000 1.262 364 L CA 0.770 55.754 54.840 0.239 0.000 0.837 364 L CB -1.550 40.622 42.059 0.188 0.000 1.689 364 L HN 0.780 nan 8.230 nan 0.000 0.890 365 T N -1.238 113.413 114.554 0.162 0.000 2.909 365 T HA 0.541 4.892 4.350 0.001 0.000 0.299 365 T C -1.248 173.556 174.700 0.174 0.000 1.073 365 T CA -0.545 61.633 62.100 0.130 0.000 0.999 365 T CB 2.158 71.079 68.868 0.087 0.000 1.098 365 T HN 0.108 nan 8.240 nan 0.000 0.477 366 Y N 2.776 123.095 120.300 0.031 0.000 2.328 366 Y HA 0.661 5.211 4.550 0.001 0.000 0.336 366 Y C -1.385 174.523 175.900 0.013 0.000 0.960 366 Y CA -1.026 57.088 58.100 0.023 0.000 1.134 366 Y CB 0.913 39.382 38.460 0.014 0.000 1.166 366 Y HN 0.369 nan 8.280 nan 0.000 0.464 367 V N 6.230 125.776 119.914 -0.614 0.000 2.378 367 V HA 0.790 4.910 4.120 0.001 0.000 0.288 367 V C 0.069 175.675 176.094 -0.813 0.000 1.016 367 V CA -0.333 61.617 62.300 -0.584 0.000 0.840 367 V CB 1.287 32.959 31.823 -0.252 0.000 0.994 367 V HN 0.997 nan 8.190 nan 0.000 0.431 368 G N 1.850 110.174 108.800 -0.793 0.000 2.591 368 G HA2 0.599 4.560 3.960 0.001 0.000 0.306 368 G HA3 0.599 4.560 3.960 0.001 0.000 0.306 368 G C -0.619 174.189 174.900 -0.152 0.000 1.334 368 G CA -0.487 44.348 45.100 -0.441 0.000 0.981 368 G HN 0.646 nan 8.290 nan 0.000 0.491 369 D N -0.048 120.315 120.400 -0.061 0.000 2.689 369 D HA -0.149 4.491 4.640 0.001 0.000 0.237 369 D C 0.280 176.571 176.300 -0.016 0.000 1.148 369 D CA 1.663 55.655 54.000 -0.013 0.000 0.656 369 D CB -0.983 39.830 40.800 0.021 0.000 1.050 369 D HN 0.324 nan 8.370 nan 0.000 0.426 370 S N -0.079 115.597 115.700 -0.042 0.000 2.568 370 S HA 0.508 4.978 4.470 0.001 0.000 0.293 370 S C -0.132 174.453 174.600 -0.024 0.000 1.089 370 S CA -0.868 57.311 58.200 -0.036 0.000 0.945 370 S CB 2.765 65.923 63.200 -0.070 0.000 1.077 370 S HN 0.103 nan 8.310 nan 0.000 0.485 371 E N 1.407 121.599 120.200 -0.013 0.000 2.165 371 E HA 0.493 4.843 4.350 0.001 0.000 0.266 371 E C -1.147 175.446 176.600 -0.011 0.000 0.889 371 E CA -0.287 56.108 56.400 -0.009 0.000 0.756 371 E CB 1.546 31.246 29.700 0.000 0.000 1.131 371 E HN 0.416 nan 8.360 nan 0.000 0.411 372 I N 2.156 122.718 120.570 -0.013 0.000 2.433 372 I HA 0.352 4.522 4.170 0.001 0.000 0.292 372 I C 0.820 176.936 176.117 -0.003 0.000 1.001 372 I CA -0.639 60.654 61.300 -0.011 0.000 1.119 372 I CB 1.874 39.862 38.000 -0.019 0.000 1.289 372 I HN 0.557 nan 8.210 nan 0.000 0.438 373 G N 3.266 112.068 108.800 0.003 0.000 2.504 373 G HA2 0.347 4.307 3.960 0.001 0.000 0.257 373 G HA3 0.347 4.307 3.960 0.001 0.000 0.257 373 G C -0.149 174.758 174.900 0.012 0.000 1.451 373 G CA -0.373 44.732 45.100 0.008 0.000 1.059 373 G HN 0.646 nan 8.290 nan 0.000 0.550 374 S N -0.738 114.971 115.700 0.016 0.000 2.586 374 S HA 0.256 4.727 4.470 0.001 0.000 0.274 374 S C 0.348 174.964 174.600 0.027 0.000 1.281 374 S CA -0.281 57.932 58.200 0.021 0.000 1.035 374 S CB 1.077 64.288 63.200 0.019 0.000 0.962 374 S HN 0.644 nan 8.310 nan 0.000 0.512 375 N N -0.573 118.147 118.700 0.034 0.000 2.721 375 N HA -0.149 4.592 4.740 0.001 0.000 0.249 375 N C -0.622 174.911 175.510 0.038 0.000 1.072 375 N CA 0.757 53.830 53.050 0.039 0.000 0.710 375 N CB -2.236 36.273 38.487 0.037 0.000 0.993 375 N HN 0.648 nan 8.380 nan 0.000 0.547 376 C N 0.720 120.037 119.300 0.028 0.000 2.459 376 C HA 0.379 4.839 4.460 0.001 0.000 0.374 376 C C 1.162 176.150 174.990 -0.003 0.000 1.241 376 C CA -0.735 58.293 59.018 0.017 0.000 2.352 376 C CB 1.273 29.015 27.740 0.002 0.000 2.490 376 C HN 0.364 nan 8.230 nan 0.000 0.583 377 N N 2.184 120.861 118.700 -0.038 0.000 2.564 377 N HA 0.350 5.090 4.740 0.001 0.000 0.248 377 N C -1.188 174.178 175.510 -0.240 0.000 0.986 377 N CA -0.350 52.630 53.050 -0.116 0.000 0.921 377 N CB 0.364 38.801 38.487 -0.083 0.000 1.136 377 N HN 0.434 nan 8.380 nan 0.000 0.509 378 I N 2.437 122.917 120.570 -0.151 0.000 2.291 378 I HA 0.305 4.476 4.170 0.001 0.000 0.290 378 I C 1.491 177.533 176.117 -0.125 0.000 1.050 378 I CA -0.707 60.506 61.300 -0.144 0.000 1.245 378 I CB 0.168 38.125 38.000 -0.072 0.000 1.405 378 I HN 0.374 nan 8.210 nan 0.000 0.478 379 G N 4.635 113.312 108.800 -0.206 0.000 2.636 379 G HA2 0.388 4.349 3.960 0.001 0.000 0.246 379 G HA3 0.388 4.349 3.960 0.001 0.000 0.246 379 G C 0.266 175.138 174.900 -0.047 0.000 1.216 379 G CA -0.373 44.635 45.100 -0.154 0.000 0.854 379 G HN 0.809 nan 8.290 nan 0.000 0.572 380 A N -0.561 122.218 122.820 -0.069 0.000 2.531 380 A HA 0.507 4.827 4.320 0.001 0.000 0.236 380 A C 1.686 179.250 177.584 -0.034 0.000 1.062 380 A CA 1.259 53.253 52.037 -0.072 0.000 0.760 380 A CB -0.368 18.426 19.000 -0.343 0.000 0.995 380 A HN 2.635 nan 8.150 nan 0.000 0.501 381 G N 0.814 109.626 108.800 0.020 0.000 2.159 381 G HA2 -0.168 3.793 3.960 0.001 0.000 0.256 381 G HA3 -0.168 3.793 3.960 0.001 0.000 0.256 381 G C 0.263 175.175 174.900 0.020 0.000 0.977 381 G CA 0.145 45.257 45.100 0.020 0.000 0.652 381 G HN 1.384 nan 8.290 nan 0.000 0.531 382 V N 1.011 120.934 119.914 0.015 0.000 2.715 382 V HA 0.548 4.668 4.120 0.001 0.000 0.299 382 V C 0.782 176.897 176.094 0.036 0.000 1.054 382 V CA 0.373 62.676 62.300 0.006 0.000 1.077 382 V CB 1.421 33.230 31.823 -0.024 0.000 0.972 382 V HN 0.323 nan 8.190 nan 0.000 0.484 383 I N 3.464 124.057 120.570 0.039 0.000 2.534 383 I HA 0.323 4.493 4.170 0.001 0.000 0.288 383 I C 0.095 176.247 176.117 0.059 0.000 1.077 383 I CA -0.459 60.895 61.300 0.091 0.000 1.051 383 I CB 2.528 40.590 38.000 0.102 0.000 1.234 383 I HN 0.689 nan 8.210 nan 0.000 0.425 384 T N 2.463 117.049 114.554 0.052 0.000 2.817 384 T HA 0.594 4.944 4.350 0.001 0.000 0.293 384 T C -0.097 174.678 174.700 0.124 0.000 0.964 384 T CA -0.580 61.536 62.100 0.027 0.000 1.085 384 T CB 0.871 69.695 68.868 -0.073 0.000 0.921 384 T HN 0.776 nan 8.240 nan 0.000 0.502 385 C N 2.033 121.363 119.300 0.050 0.000 3.318 385 C HA 0.789 5.250 4.460 0.001 0.000 0.329 385 C C -0.731 174.241 174.990 -0.030 0.000 1.449 385 C CA -1.103 57.934 59.018 0.032 0.000 1.397 385 C CB 1.114 28.847 27.740 -0.012 0.000 1.810 385 C HN 0.942 nan 8.230 nan 0.000 0.449 386 N N -1.061 117.610 118.700 -0.048 0.000 2.380 386 N HA 0.482 5.223 4.740 0.001 0.000 0.290 386 N C -1.509 173.931 175.510 -0.116 0.000 1.236 386 N CA -0.228 52.792 53.050 -0.049 0.000 0.780 386 N CB 1.504 40.001 38.487 0.017 0.000 1.438 386 N HN 0.766 nan 8.380 nan 0.000 0.491 387 Y N 0.167 120.516 120.300 0.082 0.000 2.426 387 Y HA -0.046 4.505 4.550 0.001 0.000 0.344 387 Y C 1.050 176.975 175.900 0.041 0.000 1.256 387 Y CA 0.055 58.194 58.100 0.066 0.000 1.451 387 Y CB 0.338 38.851 38.460 0.089 0.000 1.342 387 Y HN 0.433 nan 8.280 nan 0.000 0.600 388 D N 1.229 121.744 120.400 0.193 0.000 2.385 388 D HA 0.263 4.903 4.640 0.001 0.000 0.260 388 D C 0.130 176.496 176.300 0.111 0.000 1.326 388 D CA 0.530 54.595 54.000 0.109 0.000 1.023 388 D CB -0.377 40.471 40.800 0.080 0.000 1.083 388 D HN 0.692 nan 8.370 nan 0.000 0.517 389 G N 1.462 110.316 108.800 0.091 0.000 3.137 389 G HA2 0.641 4.601 3.960 0.001 0.000 0.196 389 G HA3 0.641 4.601 3.960 0.001 0.000 0.196 389 G C -0.119 174.800 174.900 0.032 0.000 1.135 389 G CA 0.084 45.235 45.100 0.085 0.000 0.803 389 G HN 0.522 nan 8.290 nan 0.000 0.619 390 A N -0.347 122.484 122.820 0.019 0.000 3.669 390 A HA 0.559 4.879 4.320 0.001 0.000 0.190 390 A C 0.874 178.380 177.584 -0.131 0.000 1.964 390 A CA 0.047 52.067 52.037 -0.028 0.000 1.580 390 A CB -0.836 18.168 19.000 0.007 0.000 1.200 390 A HN 0.497 nan 8.150 nan 0.000 0.359 391 N N 1.188 119.764 118.700 -0.207 0.000 2.267 391 N HA 0.158 4.898 4.740 0.001 0.000 0.226 391 N C -0.300 174.766 175.510 -0.741 0.000 1.314 391 N CA 0.336 53.161 53.050 -0.374 0.000 0.887 391 N CB 0.110 38.408 38.487 -0.315 0.000 1.120 391 N HN 0.537 nan 8.380 nan 0.000 0.440 392 K N 0.875 120.913 120.400 -0.602 0.000 2.307 392 K HA 0.362 4.682 4.320 0.001 0.000 0.263 392 K C -0.905 175.470 176.600 -0.375 0.000 0.973 392 K CA -0.370 55.633 56.287 -0.473 0.000 0.846 392 K CB 0.689 33.084 32.500 -0.174 0.000 1.100 392 K HN 0.284 nan 8.250 nan 0.000 0.438 393 F N 1.363 121.346 119.950 0.055 0.000 2.403 393 F HA 0.424 4.951 4.527 0.001 0.000 0.326 393 F C 0.686 176.507 175.800 0.036 0.000 1.099 393 F CA -1.167 56.862 58.000 0.049 0.000 1.036 393 F CB 1.277 40.317 39.000 0.067 0.000 1.336 393 F HN 0.257 nan 8.300 nan 0.000 0.497 394 K N 0.091 120.646 120.400 0.258 0.000 2.164 394 K HA 0.443 4.763 4.320 0.001 0.000 0.258 394 K C -1.111 175.544 176.600 0.091 0.000 0.951 394 K CA -0.690 55.673 56.287 0.126 0.000 0.844 394 K CB 1.856 34.414 32.500 0.097 0.000 1.099 394 K HN 0.474 nan 8.250 nan 0.000 0.435 395 T N 3.231 117.814 114.554 0.048 0.000 2.771 395 T HA 0.410 4.760 4.350 0.001 0.000 0.281 395 T C -0.359 174.349 174.700 0.014 0.000 0.982 395 T CA -0.613 61.504 62.100 0.027 0.000 0.978 395 T CB 0.456 69.326 68.868 0.004 0.000 0.930 395 T HN 0.246 nan 8.240 nan 0.000 0.447 396 I N 4.792 125.371 120.570 0.016 0.000 2.382 396 I HA 0.462 4.633 4.170 0.001 0.000 0.286 396 I C -0.219 175.903 176.117 0.008 0.000 1.002 396 I CA -0.806 60.501 61.300 0.011 0.000 1.135 396 I CB 1.155 39.163 38.000 0.014 0.000 1.288 396 I HN 0.591 nan 8.210 nan 0.000 0.448 397 I N 4.928 125.499 120.570 0.003 0.000 2.406 397 I HA 0.482 4.653 4.170 0.001 0.000 0.290 397 I C 0.999 177.121 176.117 0.007 0.000 0.999 397 I CA -0.408 60.895 61.300 0.005 0.000 1.124 397 I CB 2.147 40.145 38.000 -0.004 0.000 1.289 397 I HN 0.636 nan 8.210 nan 0.000 0.441 398 G N 4.474 113.281 108.800 0.013 0.000 2.485 398 G HA2 0.159 4.119 3.960 0.001 0.000 0.260 398 G HA3 0.159 4.119 3.960 0.001 0.000 0.260 398 G C -0.430 174.480 174.900 0.017 0.000 1.459 398 G CA -0.358 44.750 45.100 0.014 0.000 1.060 398 G HN 0.521 nan 8.290 nan 0.000 0.546 399 D N 0.203 120.614 120.400 0.019 0.000 2.283 399 D HA 0.255 4.895 4.640 0.001 0.000 0.248 399 D C -0.067 176.251 176.300 0.030 0.000 1.072 399 D CA -0.033 53.980 54.000 0.022 0.000 0.929 399 D CB 0.947 41.758 40.800 0.019 0.000 1.182 399 D HN 0.403 nan 8.370 nan 0.000 0.433 400 D N -0.299 120.122 120.400 0.036 0.000 2.772 400 D HA -0.145 4.496 4.640 0.001 0.000 0.233 400 D C -0.561 175.779 176.300 0.067 0.000 1.143 400 D CA 0.445 54.474 54.000 0.048 0.000 0.700 400 D CB -1.108 39.716 40.800 0.040 0.000 1.076 400 D HN 0.045 nan 8.370 nan 0.000 0.430 401 V N 0.761 120.714 119.914 0.065 0.000 2.481 401 V HA 0.444 4.565 4.120 0.001 0.000 0.286 401 V C 0.223 176.390 176.094 0.122 0.000 1.042 401 V CA -0.708 61.642 62.300 0.085 0.000 0.928 401 V CB 1.607 33.459 31.823 0.049 0.000 0.986 401 V HN 0.150 nan 8.190 nan 0.000 0.462 402 F N 5.199 125.153 119.950 0.007 0.000 2.411 402 F HA 0.652 5.179 4.527 0.000 0.000 0.352 402 F C -0.300 175.505 175.800 0.008 0.000 1.123 402 F CA -0.441 57.564 58.000 0.008 0.000 1.044 402 F CB 1.309 40.313 39.000 0.006 0.000 1.135 402 F HN 0.249 nan 8.300 nan 0.000 0.461 403 V N 6.575 126.252 119.914 -0.394 0.000 2.334 403 V HA 0.474 4.594 4.120 0.001 0.000 0.281 403 V C 0.671 176.506 176.094 -0.431 0.000 1.016 403 V CA -0.738 61.417 62.300 -0.243 0.000 0.832 403 V CB 0.862 32.599 31.823 -0.143 0.000 0.999 403 V HN 0.962 nan 8.190 nan 0.000 0.439 404 G N 3.398 112.119 108.800 -0.131 0.000 2.594 404 G HA2 0.356 4.316 3.960 0.001 0.000 0.243 404 G HA3 0.356 4.316 3.960 0.001 0.000 0.243 404 G C 0.477 175.343 174.900 -0.056 0.000 1.229 404 G CA 0.091 45.187 45.100 -0.008 0.000 0.843 404 G HN 0.957 nan 8.290 nan 0.000 0.578 405 S N -0.019 115.660 115.700 -0.035 0.000 2.558 405 S HA 0.113 4.584 4.470 0.001 0.000 0.288 405 S C 0.530 175.118 174.600 -0.019 0.000 1.318 405 S CA 0.655 58.828 58.200 -0.045 0.000 1.056 405 S CB 0.858 64.032 63.200 -0.044 0.000 0.853 405 S HN 0.898 nan 8.310 nan 0.000 0.505 406 D N 0.161 120.549 120.400 -0.021 0.000 2.870 406 D HA -0.146 4.495 4.640 0.001 0.000 0.228 406 D C -0.511 175.787 176.300 -0.003 0.000 1.147 406 D CA 1.382 55.377 54.000 -0.009 0.000 0.757 406 D CB -1.601 39.194 40.800 -0.008 0.000 1.091 406 D HN 0.718 nan 8.370 nan 0.000 0.429 407 T N 0.764 115.314 114.554 -0.007 0.000 2.875 407 T HA 0.516 4.866 4.350 0.001 0.000 0.284 407 T C 0.129 174.827 174.700 -0.003 0.000 0.995 407 T CA -0.554 61.545 62.100 -0.002 0.000 1.060 407 T CB 1.324 70.191 68.868 -0.003 0.000 0.967 407 T HN 0.015 nan 8.240 nan 0.000 0.476 408 Q N 2.200 121.998 119.800 -0.004 0.000 2.271 408 Q HA 0.558 4.899 4.340 0.001 0.000 0.258 408 Q C -0.806 175.186 176.000 -0.013 0.000 0.936 408 Q CA -0.326 55.472 55.803 -0.008 0.000 0.909 408 Q CB 1.362 30.090 28.738 -0.018 0.000 1.253 408 Q HN 0.508 nan 8.270 nan 0.000 0.440 409 L N 2.549 123.763 121.223 -0.014 0.000 2.262 409 L HA 0.476 4.816 4.340 0.001 0.000 0.288 409 L C -0.806 176.046 176.870 -0.029 0.000 1.035 409 L CA -1.024 53.807 54.840 -0.014 0.000 0.820 409 L CB 0.970 43.022 42.059 -0.012 0.000 1.204 409 L HN 0.367 nan 8.230 nan 0.000 0.424 410 V N 3.312 123.197 119.914 -0.049 0.000 2.304 410 V HA 0.417 4.537 4.120 0.001 0.000 0.269 410 V C 0.797 176.868 176.094 -0.038 0.000 1.036 410 V CA -0.575 61.646 62.300 -0.131 0.000 0.840 410 V CB 1.026 32.681 31.823 -0.280 0.000 1.036 410 V HN 0.848 nan 8.190 nan 0.000 0.466 411 A N 8.432 131.261 122.820 0.015 0.000 2.425 411 A HA 0.623 4.943 4.320 0.001 0.000 0.242 411 A C -2.124 175.628 177.584 0.280 0.000 1.077 411 A CA -1.067 51.051 52.037 0.134 0.000 0.781 411 A CB 0.015 19.110 19.000 0.159 0.000 1.020 411 A HN 0.629 nan 8.150 nan 0.000 0.494 412 P HA 0.429 nan 4.420 nan 0.000 0.286 412 P C -0.817 176.535 177.300 0.087 0.000 1.269 412 P CA -0.033 63.147 63.100 0.133 0.000 0.787 412 P CB 1.387 33.080 31.700 -0.013 0.000 0.920 413 V N 3.720 123.673 119.914 0.065 0.000 3.120 413 V HA 0.465 4.585 4.120 0.001 0.000 0.303 413 V C -1.465 174.647 176.094 0.031 0.000 1.238 413 V CA -0.834 61.494 62.300 0.046 0.000 1.008 413 V CB 2.732 34.585 31.823 0.050 0.000 1.064 413 V HN 0.440 nan 8.190 nan 0.000 0.434 414 K N 3.852 124.266 120.400 0.024 0.000 2.397 414 K HA 0.771 5.091 4.320 0.001 0.000 0.253 414 K C -1.681 174.930 176.600 0.019 0.000 0.932 414 K CA -0.723 55.575 56.287 0.018 0.000 0.795 414 K CB 2.488 34.995 32.500 0.013 0.000 1.159 414 K HN 0.427 nan 8.250 nan 0.000 0.424 415 V N 2.403 122.328 119.914 0.018 0.000 2.407 415 V HA 0.392 4.513 4.120 0.001 0.000 0.291 415 V C 0.027 176.133 176.094 0.020 0.000 1.018 415 V CA -0.810 61.502 62.300 0.020 0.000 0.842 415 V CB 1.256 33.092 31.823 0.021 0.000 0.996 415 V HN 0.967 nan 8.190 nan 0.000 0.426 416 A N 4.690 127.522 122.820 0.020 0.000 2.280 416 A HA 0.520 4.840 4.320 0.001 0.000 0.268 416 A C 0.452 178.049 177.584 0.022 0.000 1.111 416 A CA -0.525 51.523 52.037 0.018 0.000 0.814 416 A CB 0.101 19.110 19.000 0.016 0.000 1.093 416 A HN 0.782 nan 8.150 nan 0.000 0.498 417 N N -0.015 118.697 118.700 0.020 0.000 2.356 417 N HA 0.277 5.017 4.740 0.001 0.000 0.252 417 N C 1.148 176.674 175.510 0.027 0.000 1.241 417 N CA 1.648 54.711 53.050 0.022 0.000 0.861 417 N CB 0.385 38.883 38.487 0.018 0.000 1.075 417 N HN 1.344 nan 8.380 nan 0.000 0.461 418 G N -0.495 108.325 108.800 0.034 0.000 2.184 418 G HA2 -0.250 3.710 3.960 0.001 0.000 0.264 418 G HA3 -0.250 3.710 3.960 0.001 0.000 0.264 418 G C 0.343 175.269 174.900 0.043 0.000 0.975 418 G CA 0.453 45.575 45.100 0.037 0.000 0.642 418 G HN 0.944 nan 8.290 nan 0.000 0.536 419 A N -0.382 122.468 122.820 0.049 0.000 2.386 419 A HA 0.687 5.007 4.320 0.001 0.000 0.248 419 A C 0.590 178.228 177.584 0.090 0.000 1.082 419 A CA 1.264 53.334 52.037 0.055 0.000 0.789 419 A CB 0.513 19.542 19.000 0.049 0.000 1.025 419 A HN 0.879 nan 8.150 nan 0.000 0.490 420 T N 1.788 116.396 114.554 0.089 0.000 2.841 420 T HA 0.559 4.910 4.350 0.001 0.000 0.285 420 T C -0.557 174.229 174.700 0.143 0.000 0.991 420 T CA 0.038 62.222 62.100 0.139 0.000 0.966 420 T CB 0.674 69.563 68.868 0.036 0.000 0.962 420 T HN 0.436 nan 8.240 nan 0.000 0.438 421 I N 2.340 123.049 120.570 0.231 0.000 2.389 421 I HA 0.489 4.659 4.170 0.001 0.000 0.288 421 I C 1.070 177.317 176.117 0.217 0.000 0.999 421 I CA -0.838 60.559 61.300 0.162 0.000 1.129 421 I CB 1.669 39.731 38.000 0.103 0.000 1.288 421 I HN 0.735 nan 8.210 nan 0.000 0.444 422 G N 4.096 112.979 108.800 0.137 0.000 2.594 422 G HA2 0.456 4.416 3.960 0.001 0.000 0.243 422 G HA3 0.456 4.416 3.960 0.001 0.000 0.243 422 G C 0.165 175.135 174.900 0.116 0.000 1.229 422 G CA -0.359 44.819 45.100 0.130 0.000 0.843 422 G HN 0.791 nan 8.290 nan 0.000 0.578 423 A N -0.389 122.499 122.820 0.114 0.000 2.483 423 A HA 0.538 4.859 4.320 0.001 0.000 0.238 423 A C 1.620 179.229 177.584 0.042 0.000 1.070 423 A CA 1.080 53.160 52.037 0.071 0.000 0.770 423 A CB -0.234 18.805 19.000 0.065 0.000 1.008 423 A HN 2.623 nan 8.150 nan 0.000 0.497 424 G N 1.424 110.239 108.800 0.025 0.000 2.143 424 G HA2 -0.185 3.775 3.960 0.001 0.000 0.248 424 G HA3 -0.185 3.775 3.960 0.001 0.000 0.248 424 G C 0.366 175.275 174.900 0.015 0.000 0.991 424 G CA 0.558 45.667 45.100 0.015 0.000 0.689 424 G HN 1.144 nan 8.290 nan 0.000 0.522 425 T N 0.993 115.559 114.554 0.020 0.000 2.922 425 T HA 0.576 4.927 4.350 0.001 0.000 0.285 425 T C 0.347 175.055 174.700 0.013 0.000 1.005 425 T CA 0.488 62.600 62.100 0.021 0.000 1.061 425 T CB 1.396 70.282 68.868 0.031 0.000 1.007 425 T HN 0.172 nan 8.240 nan 0.000 0.502 426 T N 3.931 118.492 114.554 0.012 0.000 2.788 426 T HA 0.399 4.750 4.350 0.001 0.000 0.296 426 T C -0.158 174.550 174.700 0.014 0.000 1.009 426 T CA -0.572 61.532 62.100 0.007 0.000 0.949 426 T CB 0.132 69.004 68.868 0.006 0.000 0.946 426 T HN 0.303 nan 8.240 nan 0.000 0.453 427 I N 4.903 125.479 120.570 0.011 0.000 2.291 427 I HA 0.219 4.389 4.170 0.001 0.000 0.290 427 I C 1.600 177.732 176.117 0.025 0.000 1.050 427 I CA -0.188 61.125 61.300 0.021 0.000 1.245 427 I CB 0.661 38.672 38.000 0.019 0.000 1.405 427 I HN 0.742 nan 8.210 nan 0.000 0.478 428 T N 3.436 118.020 114.554 0.049 0.000 2.978 428 T HA 0.267 4.618 4.350 0.001 0.000 0.248 428 T C 0.942 175.699 174.700 0.094 0.000 1.018 428 T CA -0.144 62.012 62.100 0.093 0.000 1.026 428 T CB 0.482 69.438 68.868 0.145 0.000 1.032 428 T HN 0.389 nan 8.240 nan 0.000 0.485 429 R N 1.782 122.319 120.500 0.062 0.000 2.598 429 R HA 0.502 4.843 4.340 0.001 0.000 0.279 429 R C -1.149 175.172 176.300 0.036 0.000 0.984 429 R CA -0.950 55.178 56.100 0.047 0.000 0.999 429 R CB 0.656 30.978 30.300 0.036 0.000 1.114 429 R HN 0.190 nan 8.270 nan 0.000 0.493 430 D N 1.136 121.553 120.400 0.028 0.000 2.472 430 D HA 0.054 4.694 4.640 0.001 0.000 0.237 430 D C -0.381 175.932 176.300 0.022 0.000 1.141 430 D CA 0.318 54.332 54.000 0.023 0.000 0.875 430 D CB 0.828 41.637 40.800 0.015 0.000 1.192 430 D HN 0.022 nan 8.370 nan 0.000 0.450 431 V N 1.869 121.796 119.914 0.022 0.000 2.398 431 V HA 0.563 4.684 4.120 0.001 0.000 0.286 431 V C 1.073 177.179 176.094 0.020 0.000 1.026 431 V CA -0.813 61.501 62.300 0.023 0.000 0.868 431 V CB 1.593 33.433 31.823 0.028 0.000 0.982 431 V HN 0.584 nan 8.190 nan 0.000 0.443 432 G N 2.513 111.324 108.800 0.018 0.000 2.580 432 G HA2 0.359 4.319 3.960 0.001 0.000 0.278 432 G HA3 0.359 4.319 3.960 0.001 0.000 0.278 432 G C -0.207 174.703 174.900 0.017 0.000 1.212 432 G CA -0.430 44.679 45.100 0.015 0.000 0.939 432 G HN 0.748 nan 8.290 nan 0.000 0.513 433 E N 0.280 120.489 120.200 0.014 0.000 2.415 433 E HA -0.022 4.328 4.350 0.001 0.000 0.263 433 E C 0.020 176.629 176.600 0.015 0.000 0.995 433 E CA -0.101 56.308 56.400 0.015 0.000 0.915 433 E CB 0.117 29.824 29.700 0.012 0.000 0.951 433 E HN 0.457 nan 8.360 nan 0.000 0.449 434 N N 2.503 121.214 118.700 0.017 0.000 2.725 434 N HA -0.241 4.499 4.740 0.001 0.000 0.249 434 N C -0.899 174.619 175.510 0.014 0.000 1.103 434 N CA 1.216 54.274 53.050 0.015 0.000 0.707 434 N CB -1.065 37.428 38.487 0.009 0.000 1.043 434 N HN 0.653 nan 8.380 nan 0.000 0.553 435 E N 0.463 120.674 120.200 0.019 0.000 2.197 435 E HA 0.376 4.726 4.350 0.001 0.000 0.281 435 E C -0.590 176.024 176.600 0.023 0.000 0.995 435 E CA -0.786 55.625 56.400 0.018 0.000 0.808 435 E CB 0.811 30.522 29.700 0.019 0.000 1.093 435 E HN 0.205 nan 8.360 nan 0.000 0.394 436 L N 5.377 126.610 121.223 0.016 0.000 2.282 436 L HA 0.401 4.741 4.340 0.001 0.000 0.288 436 L C -1.542 175.341 176.870 0.022 0.000 1.033 436 L CA -0.530 54.320 54.840 0.018 0.000 0.807 436 L CB 1.546 43.605 42.059 0.001 0.000 1.209 436 L HN 0.326 nan 8.230 nan 0.000 0.423 437 V N 7.039 126.973 119.914 0.034 0.000 2.407 437 V HA 0.520 4.640 4.120 0.001 0.000 0.291 437 V C -0.091 176.025 176.094 0.037 0.000 1.018 437 V CA -0.438 61.881 62.300 0.033 0.000 0.842 437 V CB 1.301 33.146 31.823 0.036 0.000 0.996 437 V HN 0.768 nan 8.190 nan 0.000 0.426 438 I N 0.950 121.537 120.570 0.027 0.000 2.608 438 I HA 0.690 4.860 4.170 0.001 0.000 0.295 438 I C -0.109 176.022 176.117 0.024 0.000 1.049 438 I CA -0.472 60.845 61.300 0.028 0.000 1.063 438 I CB 2.454 40.466 38.000 0.020 0.000 1.248 438 I HN 0.373 nan 8.210 nan 0.000 0.424 439 T N 4.479 119.048 114.554 0.025 0.000 2.832 439 T HA 0.315 4.665 4.350 0.001 0.000 0.296 439 T C 0.185 174.895 174.700 0.016 0.000 0.968 439 T CA -0.474 61.638 62.100 0.020 0.000 1.107 439 T CB 0.417 69.297 68.868 0.019 0.000 0.916 439 T HN 0.420 nan 8.240 nan 0.000 0.517 440 R N 3.042 123.551 120.500 0.014 0.000 2.205 440 R HA 0.326 4.667 4.340 0.001 0.000 0.342 440 R C 0.023 176.330 176.300 0.010 0.000 1.058 440 R CA -0.306 55.802 56.100 0.012 0.000 0.904 440 R CB 0.552 30.858 30.300 0.011 0.000 1.089 440 R HN 0.541 nan 8.270 nan 0.000 0.471 441 V N -0.042 119.879 119.914 0.011 0.000 2.743 441 V HA 0.773 4.894 4.120 0.001 0.000 0.301 441 V C 0.226 176.324 176.094 0.007 0.000 1.057 441 V CA -1.078 61.226 62.300 0.006 0.000 1.006 441 V CB 1.670 33.495 31.823 0.004 0.000 1.024 441 V HN 0.684 nan 8.190 nan 0.000 0.473 442 A N 3.637 126.455 122.820 -0.004 0.000 2.303 442 A HA 0.757 5.077 4.320 0.001 0.000 0.320 442 A C -0.312 177.253 177.584 -0.032 0.000 1.192 442 A CA -0.659 51.374 52.037 -0.006 0.000 0.821 442 A CB 0.936 19.930 19.000 -0.010 0.000 1.188 442 A HN 0.949 nan 8.150 nan 0.000 0.492 443 Q N 0.414 120.192 119.800 -0.037 0.000 2.377 443 Q HA 0.566 4.906 4.340 0.001 0.000 0.271 443 Q C -0.661 175.238 176.000 -0.168 0.000 1.077 443 Q CA -0.949 54.768 55.803 -0.144 0.000 0.820 443 Q CB 2.581 31.188 28.738 -0.219 0.000 1.347 443 Q HN 0.683 nan 8.270 nan 0.000 0.444 444 R N 1.446 121.800 120.500 -0.244 0.000 2.294 444 R HA 0.284 4.625 4.340 0.001 0.000 0.319 444 R C -1.328 174.769 176.300 -0.338 0.000 0.984 444 R CA -0.134 55.853 56.100 -0.189 0.000 0.861 444 R CB 0.639 30.859 30.300 -0.134 0.000 1.104 444 R HN 0.580 nan 8.270 nan 0.000 0.451 445 H N 5.664 124.707 119.070 -0.045 0.000 2.511 445 H HA 0.365 4.921 4.556 0.000 0.000 0.328 445 H C -0.378 174.930 175.328 -0.034 0.000 1.044 445 H CA -0.531 55.495 56.048 -0.038 0.000 1.212 445 H CB 1.347 31.098 29.762 -0.018 0.000 1.428 445 H HN 0.450 nan 8.280 nan 0.000 0.483 446 I N 4.159 124.749 120.570 0.034 0.000 2.382 446 I HA 0.070 4.240 4.170 0.001 0.000 0.286 446 I C -0.053 176.127 176.117 0.106 0.000 1.002 446 I CA -0.779 60.544 61.300 0.038 0.000 1.135 446 I CB 1.365 39.328 38.000 -0.061 0.000 1.288 446 I HN 0.312 nan 8.210 nan 0.000 0.448 447 Q N 3.973 123.841 119.800 0.113 0.000 2.306 447 Q HA 0.352 4.693 4.340 0.001 0.000 0.241 447 Q C 1.011 177.098 176.000 0.146 0.000 0.948 447 Q CA 0.006 55.879 55.803 0.117 0.000 0.886 447 Q CB 1.257 30.043 28.738 0.079 0.000 1.227 447 Q HN 0.945 nan 8.270 nan 0.000 0.457 448 G N 1.095 109.976 108.800 0.135 0.000 2.198 448 G HA2 -0.225 3.736 3.960 0.001 0.000 0.260 448 G HA3 -0.225 3.736 3.960 0.001 0.000 0.260 448 G C -0.486 174.513 174.900 0.165 0.000 1.025 448 G CA 0.054 45.223 45.100 0.115 0.000 0.769 448 G HN 0.644 nan 8.290 nan 0.000 0.507 449 W N 1.177 122.484 121.300 0.012 0.000 2.481 449 W HA 0.608 5.268 4.660 0.001 0.000 0.320 449 W C 0.095 176.618 176.519 0.007 0.000 1.209 449 W CA -0.774 56.576 57.345 0.009 0.000 1.400 449 W CB 0.783 30.249 29.460 0.009 0.000 1.361 449 W HN 0.232 nan 8.180 nan 0.000 0.456 450 Q N 5.745 125.284 119.800 -0.435 0.000 2.322 450 Q HA 0.209 4.549 4.340 0.001 0.000 0.256 450 Q C 0.030 175.742 176.000 -0.479 0.000 0.960 450 Q CA -0.018 55.588 55.803 -0.329 0.000 0.934 450 Q CB 0.602 29.191 28.738 -0.249 0.000 1.200 450 Q HN 0.422 nan 8.270 nan 0.000 0.435 451 R N 4.343 124.701 120.500 -0.237 0.000 2.694 451 R HA 0.155 4.495 4.340 0.001 0.000 0.268 451 R C -1.900 174.314 176.300 -0.143 0.000 1.061 451 R CA -1.588 54.424 56.100 -0.147 0.000 1.133 451 R CB 0.037 30.336 30.300 -0.001 0.000 1.020 451 R HN 0.537 nan 8.270 nan 0.000 0.475 452 P HA 0.034 nan 4.420 nan 0.000 0.240 452 P C -0.790 176.480 177.300 -0.050 0.000 1.594 452 P CA 0.870 63.924 63.100 -0.077 0.000 1.184 452 P CB -0.060 31.619 31.700 -0.035 0.000 1.915 453 I N 0.000 120.534 120.570 -0.059 0.000 2.984 453 I HA 0.000 4.170 4.170 0.001 0.000 0.288 453 I CA 0.000 61.277 61.300 -0.039 0.000 1.566 453 I CB 0.000 37.985 38.000 -0.026 0.000 1.214 453 I HN 0.000 nan 8.210 nan 0.000 0.494