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 2gr1_1_A DATA FIRST_RESID 6 DATA SEQUENCE LKAPVVVLGA GLASVSFVAE LRQAGYQGLI TVVGDEAERP YDRPPLSKDF DATA SEQUENCE MAHGDAEKIR LDCKRAPEVE WLLGVTAQSF DPQAHTVALS DGRTLPYGTL DATA SEQUENCE VLATGAAPRA LPTLQGATMP VHTLRTLEDA RRIQAGLRPQ SRLLIVGGGV DATA SEQUENCE IGLELAATAR TAGVHVSLVE TQPRLMSRAA PATLADFVAR YHAAQGVDLR DATA SEQUENCE FERSVTGSVD GVVLLDDGTR IAADMVVVGI GVLANDALAR AAGLACDDGI DATA SEQUENCE FVDAYGRTTC PDVYALGDVT RQRNPLSGRF ERIETWSNAQ NQGIAVARHL DATA SEQUENCE VDPTAPGYAE LPWYWSDQGA LRIQVAGLAS GDEEIVRGEV SLDAPKFTLI DATA SEQUENCE ELQKGRIVGA TCVNNARDFA PLRRLLAVGA KPDRAALADP ATDLRKLAAA DATA SEQUENCE V 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 6 L HA 0.000 nan 4.340 nan 0.000 0.249 6 L C 0.000 176.827 176.870 -0.071 0.000 1.165 6 L CA 0.000 54.759 54.840 -0.135 0.000 0.813 6 L CB 0.000 41.920 42.059 -0.232 0.000 0.961 7 K N 3.136 123.520 120.400 -0.026 0.000 2.235 7 K HA 0.884 5.203 4.320 -0.001 0.000 0.266 7 K C -0.016 176.610 176.600 0.043 0.000 0.980 7 K CA -0.381 55.920 56.287 0.024 0.000 0.849 7 K CB 1.971 34.499 32.500 0.046 0.000 1.098 7 K HN 0.600 nan 8.250 nan 0.000 0.445 8 A N 4.253 127.132 122.820 0.098 0.000 2.351 8 A HA 0.409 4.729 4.320 -0.001 0.000 0.257 8 A C -2.069 175.579 177.584 0.107 0.000 1.087 8 A CA -1.110 51.023 52.037 0.160 0.000 0.798 8 A CB -0.269 18.867 19.000 0.226 0.000 1.033 8 A HN 0.493 nan 8.150 nan 0.000 0.488 9 P HA 0.386 nan 4.420 nan 0.000 0.279 9 P C -0.864 176.523 177.300 0.146 0.000 1.252 9 P CA -0.333 62.856 63.100 0.149 0.000 0.811 9 P CB 0.991 32.755 31.700 0.107 0.000 1.035 10 V N 2.088 122.082 119.914 0.134 0.000 2.439 10 V HA 0.237 4.356 4.120 -0.001 0.000 0.282 10 V C 0.342 176.457 176.094 0.036 0.000 1.039 10 V CA -0.444 61.889 62.300 0.054 0.000 0.913 10 V CB 1.565 33.388 31.823 -0.000 0.000 0.983 10 V HN 0.261 nan 8.190 nan 0.000 0.460 11 V N 5.746 125.650 119.914 -0.017 0.000 2.487 11 V HA 0.513 4.632 4.120 -0.001 0.000 0.298 11 V C -0.322 175.677 176.094 -0.159 0.000 1.028 11 V CA -0.552 61.704 62.300 -0.073 0.000 0.860 11 V CB 2.090 33.878 31.823 -0.057 0.000 0.991 11 V HN 0.603 nan 8.190 nan 0.000 0.427 12 V N 6.085 125.913 119.914 -0.142 0.000 2.495 12 V HA 0.506 4.626 4.120 -0.001 0.000 0.298 12 V C -0.287 175.718 176.094 -0.149 0.000 1.031 12 V CA -0.601 61.592 62.300 -0.179 0.000 0.871 12 V CB 1.840 33.588 31.823 -0.125 0.000 0.988 12 V HN 0.627 nan 8.190 nan 0.000 0.432 13 L N 4.515 125.635 121.223 -0.172 0.000 2.272 13 L HA 0.857 5.197 4.340 -0.001 0.000 0.289 13 L C 0.653 177.471 176.870 -0.087 0.000 1.032 13 L CA -0.188 54.584 54.840 -0.113 0.000 0.810 13 L CB 1.180 43.165 42.059 -0.124 0.000 1.205 13 L HN 0.967 nan 8.230 nan 0.000 0.422 14 G N 2.626 111.404 108.800 -0.037 0.000 2.788 14 G HA2 0.134 4.093 3.960 -0.001 0.000 0.686 14 G HA3 0.134 4.093 3.960 -0.001 0.000 0.686 14 G C -0.405 174.511 174.900 0.027 0.000 1.147 14 G CA -0.279 44.810 45.100 -0.020 0.000 0.755 14 G HN 0.945 nan 8.290 nan 0.000 0.634 15 A N 1.143 123.996 122.820 0.054 0.000 2.674 15 A HA 0.810 5.130 4.320 -0.001 0.000 0.286 15 A C 1.179 178.776 177.584 0.023 0.000 0.980 15 A CA 1.122 53.248 52.037 0.148 0.000 1.028 15 A CB -0.081 19.065 19.000 0.244 0.000 1.199 15 A HN 2.222 nan 8.150 nan 0.000 0.499 16 G N -1.019 107.752 108.800 -0.049 0.000 2.510 16 G HA2 0.400 4.359 3.960 -0.001 0.000 0.280 16 G HA3 0.400 4.359 3.960 -0.001 0.000 0.280 16 G C 0.930 175.768 174.900 -0.104 0.000 1.386 16 G CA 0.012 45.030 45.100 -0.137 0.000 1.047 16 G HN 0.520 nan 8.290 nan 0.000 0.527 17 L N 0.276 121.407 121.223 -0.154 0.000 2.043 17 L HA -0.065 4.275 4.340 -0.001 0.000 0.212 17 L C 2.972 179.747 176.870 -0.158 0.000 1.075 17 L CA 2.927 57.661 54.840 -0.176 0.000 0.752 17 L CB -0.768 41.112 42.059 -0.298 0.000 0.891 17 L HN 0.528 nan 8.230 nan 0.000 0.432 18 A N -1.511 121.215 122.820 -0.156 0.000 1.877 18 A HA -0.237 4.083 4.320 -0.001 0.000 0.216 18 A C 2.526 180.090 177.584 -0.034 0.000 1.186 18 A CA 2.037 53.997 52.037 -0.129 0.000 0.620 18 A CB -1.236 17.674 19.000 -0.149 0.000 0.822 18 A HN 0.573 nan 8.150 nan 0.000 0.443 19 S N -0.601 115.092 115.700 -0.012 0.000 2.348 19 S HA -0.141 4.329 4.470 -0.001 0.000 0.221 19 S C 1.935 176.652 174.600 0.195 0.000 1.033 19 S CA 1.770 60.015 58.200 0.076 0.000 1.010 19 S CB -0.595 62.651 63.200 0.076 0.000 0.891 19 S HN 0.310 nan 8.310 nan 0.000 0.442 20 V N 1.628 121.658 119.914 0.193 0.000 2.332 20 V HA -0.141 3.979 4.120 -0.001 0.000 0.248 20 V C 2.712 178.896 176.094 0.150 0.000 1.055 20 V CA 2.240 64.694 62.300 0.257 0.000 1.038 20 V CB -1.109 30.796 31.823 0.136 0.000 0.651 20 V HN 0.509 nan 8.190 nan 0.000 0.450 21 S N -0.301 115.436 115.700 0.062 0.000 2.368 21 S HA -0.181 4.288 4.470 -0.001 0.000 0.225 21 S C 1.758 176.389 174.600 0.051 0.000 1.030 21 S CA 1.838 60.049 58.200 0.019 0.000 0.999 21 S CB -0.481 62.680 63.200 -0.065 0.000 0.844 21 S HN 0.608 nan 8.310 nan 0.000 0.459 22 F N 3.191 123.105 119.950 -0.059 0.000 2.075 22 F HA -0.186 4.340 4.527 -0.001 0.000 0.297 22 F C 2.332 178.102 175.800 -0.050 0.000 1.113 22 F CA 1.672 59.629 58.000 -0.071 0.000 1.218 22 F CB -0.673 38.268 39.000 -0.098 0.000 0.984 22 F HN 0.089 nan 8.300 nan 0.000 0.472 23 V N -0.356 119.548 119.914 -0.017 0.000 2.407 23 V HA -0.107 4.013 4.120 -0.001 0.000 0.248 23 V C 2.383 178.413 176.094 -0.107 0.000 1.055 23 V CA 1.596 63.817 62.300 -0.131 0.000 1.049 23 V CB -1.988 29.812 31.823 -0.039 0.000 0.662 23 V HN 0.412 nan 8.190 nan 0.000 0.455 24 A N 0.558 123.370 122.820 -0.014 0.000 1.898 24 A HA -0.197 4.122 4.320 -0.001 0.000 0.216 24 A C 2.200 179.748 177.584 -0.060 0.000 1.181 24 A CA 1.997 54.034 52.037 0.001 0.000 0.620 24 A CB -0.665 18.361 19.000 0.043 0.000 0.819 24 A HN 0.661 nan 8.150 nan 0.000 0.442 25 E N 0.273 120.405 120.200 -0.114 0.000 2.106 25 E HA -0.107 4.242 4.350 -0.001 0.000 0.192 25 E C 1.825 178.311 176.600 -0.189 0.000 0.984 25 E CA 1.040 57.361 56.400 -0.133 0.000 0.806 25 E CB -0.434 29.191 29.700 -0.124 0.000 0.750 25 E HN 0.582 nan 8.360 nan 0.000 0.458 26 L N 0.118 121.142 121.223 -0.333 0.000 2.013 26 L HA -0.234 4.105 4.340 -0.001 0.000 0.212 26 L C 2.704 179.533 176.870 -0.068 0.000 1.073 26 L CA 1.501 56.175 54.840 -0.275 0.000 0.753 26 L CB -0.458 41.371 42.059 -0.383 0.000 0.890 26 L HN 0.151 nan 8.230 nan 0.000 0.432 27 R N -0.279 120.188 120.500 -0.055 0.000 2.073 27 R HA -0.130 4.210 4.340 -0.001 0.000 0.234 27 R C 2.202 178.487 176.300 -0.026 0.000 1.134 27 R CA 1.059 57.145 56.100 -0.024 0.000 0.952 27 R CB -0.590 29.697 30.300 -0.021 0.000 0.850 27 R HN 0.444 nan 8.270 nan 0.000 0.433 28 Q N 0.062 119.844 119.800 -0.031 0.000 2.167 28 Q HA 0.015 4.355 4.340 -0.001 0.000 0.202 28 Q C 1.873 177.860 176.000 -0.021 0.000 0.970 28 Q CA 1.455 57.245 55.803 -0.021 0.000 0.855 28 Q CB -0.273 28.456 28.738 -0.014 0.000 0.911 28 Q HN 0.300 nan 8.270 nan 0.000 0.438 29 A N -0.601 122.200 122.820 -0.032 0.000 2.167 29 A HA 0.292 4.611 4.320 -0.001 0.000 0.214 29 A C 1.504 179.080 177.584 -0.012 0.000 1.151 29 A CA 1.325 53.346 52.037 -0.027 0.000 0.735 29 A CB -0.035 18.936 19.000 -0.048 0.000 0.802 29 A HN 0.432 nan 8.150 nan 0.000 0.467 30 G N -2.899 105.898 108.800 -0.004 0.000 2.205 30 G HA2 -0.213 3.746 3.960 -0.001 0.000 0.180 30 G HA3 -0.213 3.746 3.960 -0.001 0.000 0.180 30 G C -0.004 174.907 174.900 0.017 0.000 1.004 30 G CA 0.013 45.111 45.100 -0.003 0.000 0.670 30 G HN 0.730 nan 8.290 nan 0.000 0.496 31 Y N 2.429 122.675 120.300 -0.091 0.000 2.436 31 Y HA 0.543 5.093 4.550 -0.001 0.000 0.336 31 Y C 1.020 176.872 175.900 -0.081 0.000 1.049 31 Y CA 0.088 58.133 58.100 -0.092 0.000 1.294 31 Y CB 0.940 39.326 38.460 -0.123 0.000 1.179 31 Y HN 0.130 nan 8.280 nan 0.000 0.520 32 Q N 4.884 124.273 119.800 -0.684 0.000 2.159 32 Q HA 0.251 4.591 4.340 -0.001 0.000 0.217 32 Q C 0.622 176.201 176.000 -0.701 0.000 0.818 32 Q CA 0.243 55.717 55.803 -0.548 0.000 1.008 32 Q CB 1.134 29.709 28.738 -0.272 0.000 1.148 32 Q HN 0.937 nan 8.270 nan 0.000 0.491 33 G N 0.529 108.501 108.800 -1.380 0.000 2.588 33 G HA2 0.403 4.362 3.960 -0.001 0.000 0.278 33 G HA3 0.403 4.362 3.960 -0.001 0.000 0.278 33 G C -0.024 174.636 174.900 -0.400 0.000 1.307 33 G CA -0.639 44.018 45.100 -0.739 0.000 1.016 33 G HN 0.158 nan 8.290 nan 0.000 0.503 34 L N -0.302 120.880 121.223 -0.068 0.000 2.525 34 L HA 0.189 4.529 4.340 -0.001 0.000 0.278 34 L C -0.060 176.873 176.870 0.105 0.000 1.218 34 L CA 0.588 55.430 54.840 0.004 0.000 0.878 34 L CB 0.305 42.379 42.059 0.026 0.000 1.127 34 L HN 0.232 nan 8.230 nan 0.000 0.492 35 I N 2.270 122.854 120.570 0.022 0.000 2.499 35 I HA 0.310 4.480 4.170 -0.001 0.000 0.288 35 I C -0.588 175.459 176.117 -0.116 0.000 1.048 35 I CA -0.269 61.028 61.300 -0.005 0.000 1.062 35 I CB 2.216 40.195 38.000 -0.035 0.000 1.238 35 I HN 0.493 nan 8.210 nan 0.000 0.426 36 T N 5.211 119.697 114.554 -0.113 0.000 2.848 36 T HA 0.546 4.895 4.350 -0.001 0.000 0.285 36 T C -0.524 174.066 174.700 -0.184 0.000 0.995 36 T CA -0.528 61.481 62.100 -0.151 0.000 0.970 36 T CB 2.186 71.017 68.868 -0.062 0.000 0.976 36 T HN 0.149 nan 8.240 nan 0.000 0.441 37 V N 3.449 123.203 119.914 -0.266 0.000 2.495 37 V HA 0.512 4.632 4.120 -0.001 0.000 0.298 37 V C -0.288 175.781 176.094 -0.041 0.000 1.031 37 V CA -0.798 61.380 62.300 -0.204 0.000 0.871 37 V CB 1.889 33.468 31.823 -0.408 0.000 0.988 37 V HN 0.727 nan 8.190 nan 0.000 0.432 38 V N 3.704 123.612 119.914 -0.010 0.000 2.347 38 V HA 0.767 4.886 4.120 -0.001 0.000 0.280 38 V C 0.632 176.759 176.094 0.055 0.000 1.021 38 V CA -0.228 62.089 62.300 0.029 0.000 0.847 38 V CB 1.509 33.337 31.823 0.008 0.000 0.990 38 V HN 0.985 nan 8.190 nan 0.000 0.444 39 G N 2.722 111.576 108.800 0.090 0.000 2.644 39 G HA2 0.467 4.426 3.960 -0.001 0.000 0.300 39 G HA3 0.467 4.426 3.960 -0.001 0.000 0.300 39 G C 0.376 175.317 174.900 0.069 0.000 1.395 39 G CA -0.332 44.821 45.100 0.089 0.000 0.964 39 G HN 0.723 nan 8.290 nan 0.000 0.511 40 D N 1.599 122.028 120.400 0.048 0.000 2.178 40 D HA -0.109 4.531 4.640 -0.001 0.000 0.202 40 D C 0.537 176.867 176.300 0.050 0.000 0.974 40 D CA 0.705 54.731 54.000 0.043 0.000 0.841 40 D CB 0.063 40.882 40.800 0.031 0.000 0.953 40 D HN 0.508 nan 8.370 nan 0.000 0.478 41 E N 0.164 120.401 120.200 0.061 0.000 2.344 41 E HA 0.378 4.728 4.350 -0.001 0.000 0.270 41 E C -0.361 176.285 176.600 0.076 0.000 1.021 41 E CA -0.270 56.176 56.400 0.077 0.000 0.887 41 E CB 1.109 30.884 29.700 0.125 0.000 0.997 41 E HN 0.242 nan 8.360 nan 0.000 0.429 42 A N 4.862 127.717 122.820 0.057 0.000 3.091 42 A HA 0.078 4.398 4.320 -0.001 0.000 0.264 42 A C -0.309 177.297 177.584 0.037 0.000 1.673 42 A CA -0.031 52.033 52.037 0.046 0.000 1.362 42 A CB -0.058 18.961 19.000 0.031 0.000 1.137 42 A HN 0.420 nan 8.150 nan 0.000 0.617 43 E N 0.300 120.537 120.200 0.061 0.000 2.308 43 E HA 0.236 4.586 4.350 -0.001 0.000 0.275 43 E C -0.749 175.887 176.600 0.060 0.000 0.890 43 E CA -0.975 55.456 56.400 0.052 0.000 0.754 43 E CB 1.687 31.443 29.700 0.094 0.000 1.207 43 E HN 0.517 nan 8.360 nan 0.000 0.426 44 R N 2.633 123.136 120.500 0.005 0.000 2.537 44 R HA 0.067 4.406 4.340 -0.001 0.000 0.281 44 R C -2.345 173.963 176.300 0.014 0.000 0.988 44 R CA -0.541 55.529 56.100 -0.050 0.000 1.077 44 R CB -0.198 30.063 30.300 -0.065 0.000 0.932 44 R HN 0.129 nan 8.270 nan 0.000 0.409 45 P HA -0.011 nan 4.420 nan 0.000 0.264 45 P C -1.540 175.766 177.300 0.009 0.000 1.183 45 P CA 0.640 63.676 63.100 -0.107 0.000 0.763 45 P CB 0.114 31.626 31.700 -0.313 0.000 0.807 46 Y N -0.425 119.825 120.300 -0.083 0.000 2.615 46 Y HA 0.686 5.236 4.550 -0.001 0.000 0.341 46 Y C -0.889 175.008 175.900 -0.005 0.000 1.089 46 Y CA -1.602 56.466 58.100 -0.054 0.000 1.049 46 Y CB 1.012 39.419 38.460 -0.088 0.000 1.296 46 Y HN 0.089 nan 8.280 nan 0.000 0.470 47 D N 0.762 121.261 120.400 0.165 0.000 2.210 47 D HA 0.365 5.005 4.640 -0.001 0.000 0.249 47 D C 0.464 176.898 176.300 0.223 0.000 1.062 47 D CA -0.472 53.630 54.000 0.171 0.000 0.891 47 D CB 1.493 42.461 40.800 0.281 0.000 1.186 47 D HN 0.725 nan 8.370 nan 0.000 0.432 48 R N 2.916 123.520 120.500 0.172 0.000 2.127 48 R HA 0.041 4.380 4.340 -0.001 0.000 0.217 48 R C -0.981 175.421 176.300 0.171 0.000 1.074 48 R CA 0.474 56.674 56.100 0.167 0.000 0.991 48 R CB -0.712 29.638 30.300 0.083 0.000 0.895 48 R HN 0.398 nan 8.270 nan 0.000 0.450 49 P HA -0.106 nan 4.420 nan 0.000 0.216 49 P C -1.566 175.839 177.300 0.175 0.000 1.153 49 P CA 1.472 64.684 63.100 0.187 0.000 0.858 49 P CB -0.894 30.993 31.700 0.313 0.000 0.789 50 P HA -0.098 nan 4.420 nan 0.000 0.223 50 P C 1.263 178.690 177.300 0.212 0.000 1.144 50 P CA 0.996 64.210 63.100 0.190 0.000 0.783 50 P CB -0.620 31.199 31.700 0.199 0.000 0.771 51 L N -0.709 120.615 121.223 0.168 0.000 2.265 51 L HA -0.134 4.206 4.340 -0.001 0.000 0.215 51 L C 2.035 179.003 176.870 0.163 0.000 1.117 51 L CA 1.832 56.776 54.840 0.173 0.000 0.782 51 L CB -0.943 41.168 42.059 0.087 0.000 0.914 51 L HN 0.150 nan 8.230 nan 0.000 0.441 52 S N -2.324 113.447 115.700 0.118 0.000 2.556 52 S HA 0.086 4.555 4.470 -0.001 0.000 0.216 52 S C 1.060 175.705 174.600 0.075 0.000 0.970 52 S CA -0.285 57.964 58.200 0.081 0.000 0.912 52 S CB 0.525 63.757 63.200 0.053 0.000 0.790 52 S HN 0.398 nan 8.310 nan 0.000 0.504 53 K N 0.780 121.236 120.400 0.094 0.000 4.110 53 K HA 0.257 4.577 4.320 -0.001 0.000 0.278 53 K C 0.279 176.899 176.600 0.034 0.000 1.347 53 K CA 0.166 56.494 56.287 0.068 0.000 1.625 53 K CB -0.111 32.449 32.500 0.101 0.000 2.825 53 K HN -0.070 nan 8.250 nan 0.000 0.700 54 D N 0.614 121.067 120.400 0.089 0.000 2.178 54 D HA -0.109 4.531 4.640 -0.001 0.000 0.202 54 D C 1.645 177.999 176.300 0.090 0.000 0.974 54 D CA 0.919 54.977 54.000 0.097 0.000 0.841 54 D CB 0.042 40.969 40.800 0.211 0.000 0.953 54 D HN 0.169 nan 8.370 nan 0.000 0.478 55 F N 1.143 121.110 119.950 0.029 0.000 2.128 55 F HA -0.131 4.395 4.527 -0.001 0.000 0.295 55 F C 2.279 178.062 175.800 -0.028 0.000 1.100 55 F CA 0.835 58.845 58.000 0.017 0.000 1.260 55 F CB -0.151 38.859 39.000 0.017 0.000 1.009 55 F HN -0.214 nan 8.300 nan 0.000 0.476 56 M N 0.992 120.607 119.600 0.026 0.000 2.108 56 M HA -0.108 4.371 4.480 -0.001 0.000 0.261 56 M C 2.120 178.281 176.300 -0.231 0.000 1.066 56 M CA 2.167 57.419 55.300 -0.079 0.000 1.107 56 M CB -0.981 31.626 32.600 0.013 0.000 1.356 56 M HN 0.189 nan 8.290 nan 0.000 0.406 57 A N -1.974 120.668 122.820 -0.298 0.000 1.930 57 A HA -0.086 4.233 4.320 -0.001 0.000 0.215 57 A C 1.589 178.860 177.584 -0.521 0.000 1.176 57 A CA 1.756 53.507 52.037 -0.477 0.000 0.632 57 A CB -0.815 17.755 19.000 -0.716 0.000 0.819 57 A HN 0.787 nan 8.150 nan 0.000 0.445 58 H N -3.028 115.937 119.070 -0.174 0.000 3.205 58 H HA 0.372 4.927 4.556 -0.001 0.000 0.252 58 H C 1.286 176.453 175.328 -0.268 0.000 1.015 58 H CA 0.151 56.099 56.048 -0.166 0.000 1.192 58 H CB 0.690 30.401 29.762 -0.085 0.000 1.474 58 H HN 0.585 nan 8.280 nan 0.000 0.484 59 G N 1.705 110.226 108.800 -0.466 0.000 2.176 59 G HA2 -0.272 3.688 3.960 -0.001 0.000 0.252 59 G HA3 -0.272 3.688 3.960 -0.001 0.000 0.252 59 G C -0.534 174.174 174.900 -0.320 0.000 1.024 59 G CA 0.539 45.145 45.100 -0.823 0.000 0.755 59 G HN 0.434 nan 8.290 nan 0.000 0.507 60 D N -0.030 120.364 120.400 -0.009 0.000 2.472 60 D HA 0.671 5.310 4.640 -0.001 0.000 0.234 60 D C 1.304 177.804 176.300 0.333 0.000 1.088 60 D CA 0.232 54.330 54.000 0.163 0.000 0.882 60 D CB 0.633 41.486 40.800 0.088 0.000 1.037 60 D HN 0.320 nan 8.370 nan 0.000 0.520 61 A N 3.920 126.955 122.820 0.358 0.000 2.067 61 A HA -0.120 4.199 4.320 -0.001 0.000 0.219 61 A C 1.607 179.223 177.584 0.054 0.000 1.158 61 A CA 0.902 53.017 52.037 0.129 0.000 0.661 61 A CB -0.090 18.881 19.000 -0.048 0.000 0.801 61 A HN 0.454 nan 8.150 nan 0.000 0.452 62 E N 0.349 120.591 120.200 0.070 0.000 2.478 62 E HA -0.052 4.298 4.350 -0.001 0.000 0.198 62 E C 1.231 177.862 176.600 0.052 0.000 1.046 62 E CA 0.646 57.071 56.400 0.041 0.000 0.870 62 E CB -0.167 29.550 29.700 0.029 0.000 0.818 62 E HN 0.660 nan 8.360 nan 0.000 0.527 63 K N 0.458 120.908 120.400 0.082 0.000 2.426 63 K HA 0.149 4.469 4.320 -0.001 0.000 0.193 63 K C 1.753 178.408 176.600 0.090 0.000 1.028 63 K CA 0.339 56.676 56.287 0.083 0.000 1.047 63 K CB 0.329 32.889 32.500 0.099 0.000 0.821 63 K HN 0.213 nan 8.250 nan 0.000 0.513 64 I N -2.443 118.181 120.570 0.090 0.000 4.081 64 I HA 0.215 4.385 4.170 -0.001 0.000 0.333 64 I C -0.280 175.905 176.117 0.114 0.000 1.413 64 I CA -0.685 60.678 61.300 0.105 0.000 1.110 64 I CB 0.375 38.434 38.000 0.098 0.000 1.082 64 I HN -0.207 nan 8.210 nan 0.000 0.402 65 R N 2.193 122.739 120.500 0.076 0.000 2.643 65 R HA 0.424 4.764 4.340 -0.001 0.000 0.270 65 R C -0.353 175.978 176.300 0.051 0.000 1.061 65 R CA -0.355 55.784 56.100 0.064 0.000 1.107 65 R CB 0.988 31.296 30.300 0.013 0.000 0.999 65 R HN 0.318 nan 8.270 nan 0.000 0.460 66 L N 1.492 122.729 121.223 0.023 0.000 2.395 66 L HA 0.079 4.418 4.340 -0.001 0.000 0.269 66 L C 0.665 177.520 176.870 -0.024 0.000 1.133 66 L CA -0.455 54.391 54.840 0.011 0.000 0.812 66 L CB 0.484 42.528 42.059 -0.025 0.000 1.125 66 L HN 0.447 nan 8.230 nan 0.000 0.452 67 D N 1.215 121.621 120.400 0.009 0.000 2.336 67 D HA 0.106 4.745 4.640 -0.001 0.000 0.249 67 D C 0.088 176.389 176.300 0.001 0.000 1.213 67 D CA -0.287 53.715 54.000 0.004 0.000 0.870 67 D CB 0.966 41.784 40.800 0.030 0.000 1.076 67 D HN 0.452 nan 8.370 nan 0.000 0.483 68 C N 4.680 123.963 119.300 -0.029 0.000 2.693 68 C HA 0.083 4.542 4.460 -0.001 0.000 0.286 68 C C 2.085 177.125 174.990 0.083 0.000 1.277 68 C CA -0.459 58.572 59.018 0.020 0.000 1.705 68 C CB -0.975 26.692 27.740 -0.121 0.000 1.879 68 C HN 0.697 nan 8.230 nan 0.000 0.607 69 K N 1.166 121.596 120.400 0.050 0.000 2.217 69 K HA -0.033 4.286 4.320 -0.001 0.000 0.202 69 K C 1.538 178.173 176.600 0.058 0.000 1.051 69 K CA 0.951 57.269 56.287 0.053 0.000 0.952 69 K CB -0.226 32.293 32.500 0.033 0.000 0.736 69 K HN 0.415 nan 8.250 nan 0.000 0.453 70 R N 0.713 121.249 120.500 0.059 0.000 2.323 70 R HA 0.099 4.439 4.340 -0.001 0.000 0.198 70 R C 0.332 176.669 176.300 0.062 0.000 0.988 70 R CA 0.487 56.617 56.100 0.050 0.000 1.041 70 R CB 0.282 30.607 30.300 0.041 0.000 0.926 70 R HN 0.211 nan 8.270 nan 0.000 0.476 71 A N 2.233 125.118 122.820 0.108 0.000 3.150 71 A HA 0.300 4.620 4.320 -0.001 0.000 0.328 71 A C -2.337 175.332 177.584 0.141 0.000 1.104 71 A CA -1.509 50.608 52.037 0.133 0.000 0.937 71 A CB 0.100 19.248 19.000 0.247 0.000 1.073 71 A HN -0.046 nan 8.150 nan 0.000 0.497 72 P HA 0.163 nan 4.420 nan 0.000 0.272 72 P C -0.315 177.008 177.300 0.039 0.000 1.230 72 P CA 0.469 63.609 63.100 0.068 0.000 0.788 72 P CB 0.538 32.257 31.700 0.032 0.000 0.949 73 E N -2.214 118.009 120.200 0.039 0.000 2.389 73 E HA -0.115 4.235 4.350 -0.001 0.000 0.243 73 E C -0.712 175.867 176.600 -0.034 0.000 1.154 73 E CA 0.582 56.982 56.400 -0.001 0.000 0.723 73 E CB -2.193 27.485 29.700 -0.035 0.000 1.261 73 E HN 0.232 nan 8.360 nan 0.000 0.390 74 V N 0.574 120.472 119.914 -0.026 0.000 2.495 74 V HA 0.277 4.396 4.120 -0.001 0.000 0.298 74 V C 0.471 176.426 176.094 -0.232 0.000 1.031 74 V CA -0.646 61.523 62.300 -0.218 0.000 0.871 74 V CB 1.962 33.526 31.823 -0.432 0.000 0.988 74 V HN 0.192 nan 8.190 nan 0.000 0.432 75 E N 3.799 123.853 120.200 -0.243 0.000 2.130 75 E HA 0.257 4.607 4.350 -0.001 0.000 0.284 75 E C -1.490 174.971 176.600 -0.232 0.000 1.018 75 E CA -0.477 55.852 56.400 -0.119 0.000 0.817 75 E CB 0.622 30.295 29.700 -0.045 0.000 1.078 75 E HN 0.602 nan 8.360 nan 0.000 0.396 76 W N 5.898 127.211 121.300 0.023 0.000 2.308 76 W HA 0.298 4.958 4.660 -0.000 0.000 0.311 76 W C -0.566 175.966 176.519 0.021 0.000 1.088 76 W CA -0.629 56.729 57.345 0.022 0.000 1.309 76 W CB 0.582 30.055 29.460 0.022 0.000 1.229 76 W HN 0.389 nan 8.180 nan 0.000 0.427 77 L N 5.917 127.246 121.223 0.177 0.000 2.328 77 L HA 0.311 4.650 4.340 -0.001 0.000 0.280 77 L C 0.008 176.958 176.870 0.133 0.000 1.111 77 L CA -0.377 54.538 54.840 0.125 0.000 0.909 77 L CB -0.356 41.745 42.059 0.071 0.000 1.277 77 L HN 0.307 nan 8.230 nan 0.000 0.433 78 L N 2.417 123.723 121.223 0.138 0.000 2.375 78 L HA 0.459 4.799 4.340 -0.001 0.000 0.271 78 L C 1.310 178.228 176.870 0.078 0.000 1.107 78 L CA -0.181 54.727 54.840 0.114 0.000 0.806 78 L CB 1.052 43.172 42.059 0.101 0.000 1.146 78 L HN 0.783 nan 8.230 nan 0.000 0.447 79 G N 2.194 111.035 108.800 0.068 0.000 2.160 79 G HA2 -0.202 3.757 3.960 -0.001 0.000 0.251 79 G HA3 -0.202 3.757 3.960 -0.001 0.000 0.251 79 G C -0.300 174.628 174.900 0.048 0.000 1.008 79 G CA 0.001 45.132 45.100 0.052 0.000 0.724 79 G HN 0.363 nan 8.290 nan 0.000 0.514 80 V N 0.311 120.256 119.914 0.052 0.000 2.540 80 V HA 0.693 4.813 4.120 -0.001 0.000 0.302 80 V C 0.297 176.416 176.094 0.042 0.000 1.035 80 V CA -0.376 61.952 62.300 0.046 0.000 0.873 80 V CB 2.100 33.953 31.823 0.049 0.000 0.992 80 V HN 0.270 nan 8.190 nan 0.000 0.428 81 T N 3.964 118.539 114.554 0.036 0.000 2.771 81 T HA 0.593 4.943 4.350 -0.001 0.000 0.281 81 T C 0.246 174.968 174.700 0.036 0.000 0.982 81 T CA -0.194 61.926 62.100 0.033 0.000 0.978 81 T CB 1.435 70.320 68.868 0.029 0.000 0.930 81 T HN 0.932 nan 8.240 nan 0.000 0.447 82 A N 3.262 126.105 122.820 0.037 0.000 2.451 82 A HA 0.223 4.543 4.320 -0.001 0.000 0.266 82 A C 1.097 178.715 177.584 0.057 0.000 1.119 82 A CA -0.189 51.879 52.037 0.051 0.000 0.786 82 A CB 0.205 19.235 19.000 0.050 0.000 1.061 82 A HN 0.963 nan 8.150 nan 0.000 0.503 83 Q N 1.097 120.931 119.800 0.058 0.000 2.349 83 Q HA 0.118 4.458 4.340 -0.001 0.000 0.209 83 Q C 0.313 176.338 176.000 0.041 0.000 0.920 83 Q CA 1.020 56.849 55.803 0.042 0.000 0.901 83 Q CB 0.263 29.020 28.738 0.032 0.000 1.021 83 Q HN 0.967 nan 8.270 nan 0.000 0.519 84 S N -0.554 115.188 115.700 0.069 0.000 2.595 84 S HA 0.593 5.062 4.470 -0.001 0.000 0.270 84 S C -1.286 173.409 174.600 0.159 0.000 1.145 84 S CA -1.128 57.096 58.200 0.039 0.000 0.825 84 S CB 0.895 64.082 63.200 -0.022 0.000 1.107 84 S HN 0.252 nan 8.310 nan 0.000 0.461 85 F N -0.349 119.615 119.950 0.024 0.000 2.576 85 F HA 0.812 5.338 4.527 -0.001 0.000 0.313 85 F C -1.046 174.792 175.800 0.063 0.000 1.078 85 F CA -0.812 57.226 58.000 0.064 0.000 0.921 85 F CB 1.475 40.512 39.000 0.063 0.000 1.232 85 F HN 0.583 nan 8.300 nan 0.000 0.459 86 D N 4.540 125.080 120.400 0.233 0.000 2.454 86 D HA 0.329 4.969 4.640 -0.001 0.000 0.225 86 D C -1.927 174.477 176.300 0.174 0.000 1.081 86 D CA -2.571 51.487 54.000 0.097 0.000 0.864 86 D CB 1.918 42.755 40.800 0.062 0.000 1.040 86 D HN 0.339 nan 8.370 nan 0.000 0.517 87 P HA -0.052 nan 4.420 nan 0.000 0.233 87 P C 0.867 178.101 177.300 -0.110 0.000 1.167 87 P CA 0.732 63.906 63.100 0.124 0.000 0.770 87 P CB 0.708 32.530 31.700 0.202 0.000 0.837 88 Q N -0.022 119.775 119.800 -0.005 0.000 2.089 88 Q HA 0.093 4.433 4.340 -0.001 0.000 0.195 88 Q C 2.294 178.373 176.000 0.132 0.000 0.963 88 Q CA 1.248 57.085 55.803 0.057 0.000 0.834 88 Q CB -0.498 28.267 28.738 0.044 0.000 0.906 88 Q HN 0.160 nan 8.270 nan 0.000 0.452 89 A N 0.310 123.173 122.820 0.071 0.000 2.119 89 A HA -0.100 4.220 4.320 -0.001 0.000 0.217 89 A C -0.373 177.248 177.584 0.061 0.000 1.153 89 A CA 0.604 52.681 52.037 0.067 0.000 0.692 89 A CB -0.469 18.553 19.000 0.037 0.000 0.799 89 A HN 0.516 nan 8.150 nan 0.000 0.458 90 H N 0.066 118.994 119.070 -0.236 0.000 2.748 90 H HA -0.115 4.440 4.556 -0.000 0.000 0.322 90 H C 0.186 175.158 175.328 -0.594 0.000 1.208 90 H CA 0.790 56.362 56.048 -0.794 0.000 1.151 90 H CB -2.193 27.085 29.762 -0.807 0.000 1.505 90 H HN 0.686 nan 8.280 nan 0.000 0.429 91 T N -3.082 111.459 114.554 -0.022 0.000 2.906 91 T HA 0.770 5.119 4.350 -0.001 0.000 0.295 91 T C -0.301 174.608 174.700 0.349 0.000 1.075 91 T CA -0.795 61.407 62.100 0.169 0.000 1.005 91 T CB 2.647 71.574 68.868 0.098 0.000 1.136 91 T HN 0.084 nan 8.240 nan 0.000 0.498 92 V N 1.210 121.293 119.914 0.282 0.000 2.540 92 V HA 0.769 4.888 4.120 -0.001 0.000 0.302 92 V C 0.289 176.471 176.094 0.147 0.000 1.035 92 V CA -1.060 61.380 62.300 0.234 0.000 0.873 92 V CB 1.403 33.324 31.823 0.163 0.000 0.992 92 V HN 1.318 nan 8.190 nan 0.000 0.428 93 A N 6.217 129.114 122.820 0.127 0.000 2.289 93 A HA 0.812 5.132 4.320 -0.001 0.000 0.298 93 A C -0.526 177.100 177.584 0.069 0.000 1.208 93 A CA -0.340 51.746 52.037 0.083 0.000 0.845 93 A CB 0.231 19.269 19.000 0.064 0.000 1.125 93 A HN 0.806 nan 8.150 nan 0.000 0.517 94 L N 2.286 123.542 121.223 0.056 0.000 2.344 94 L HA 0.332 4.671 4.340 -0.001 0.000 0.272 94 L C 1.667 178.561 176.870 0.039 0.000 1.035 94 L CA -0.354 54.515 54.840 0.047 0.000 0.807 94 L CB 1.892 43.978 42.059 0.045 0.000 1.237 94 L HN 0.922 nan 8.230 nan 0.000 0.442 95 S N -0.898 114.823 115.700 0.035 0.000 2.442 95 S HA -0.164 4.305 4.470 -0.001 0.000 0.236 95 S C 1.007 175.624 174.600 0.028 0.000 1.007 95 S CA 1.043 59.261 58.200 0.030 0.000 0.965 95 S CB -0.423 62.794 63.200 0.028 0.000 0.773 95 S HN 0.848 nan 8.310 nan 0.000 0.504 96 D N 0.319 120.737 120.400 0.030 0.000 2.340 96 D HA 0.262 4.902 4.640 -0.001 0.000 0.220 96 D C 1.402 177.718 176.300 0.026 0.000 1.039 96 D CA 0.599 54.615 54.000 0.028 0.000 0.866 96 D CB -0.536 40.282 40.800 0.030 0.000 0.913 96 D HN 0.564 nan 8.370 nan 0.000 0.523 97 G N -0.104 108.713 108.800 0.028 0.000 2.194 97 G HA2 -0.255 3.705 3.960 -0.001 0.000 0.236 97 G HA3 -0.255 3.705 3.960 -0.001 0.000 0.236 97 G C 0.366 175.283 174.900 0.029 0.000 0.987 97 G CA -0.258 44.858 45.100 0.026 0.000 0.635 97 G HN 0.323 nan 8.290 nan 0.000 0.520 98 R N 0.637 121.157 120.500 0.032 0.000 2.577 98 R HA 0.676 5.016 4.340 -0.001 0.000 0.269 98 R C -0.183 176.143 176.300 0.043 0.000 1.084 98 R CA 0.110 56.231 56.100 0.035 0.000 1.163 98 R CB 0.338 30.658 30.300 0.034 0.000 1.100 98 R HN 0.190 nan 8.270 nan 0.000 0.547 99 T N 1.745 116.326 114.554 0.045 0.000 2.841 99 T HA 0.516 4.866 4.350 -0.001 0.000 0.283 99 T C -0.122 174.616 174.700 0.063 0.000 1.000 99 T CA -0.623 61.512 62.100 0.059 0.000 0.977 99 T CB 1.381 70.281 68.868 0.054 0.000 0.979 99 T HN 0.198 nan 8.240 nan 0.000 0.446 100 L N 5.155 126.429 121.223 0.085 0.000 2.307 100 L HA 0.509 4.848 4.340 -0.001 0.000 0.284 100 L C -2.102 174.846 176.870 0.130 0.000 1.023 100 L CA -2.311 52.585 54.840 0.093 0.000 0.810 100 L CB 1.929 44.043 42.059 0.091 0.000 1.231 100 L HN 0.355 nan 8.230 nan 0.000 0.423 101 P HA 0.245 nan 4.420 nan 0.000 0.281 101 P C -1.761 175.640 177.300 0.168 0.000 1.249 101 P CA -0.235 62.915 63.100 0.083 0.000 0.810 101 P CB 1.013 32.735 31.700 0.036 0.000 1.008 102 Y N -2.101 118.254 120.300 0.091 0.000 2.534 102 Y HA 0.695 5.245 4.550 -0.000 0.000 0.345 102 Y C 0.852 176.829 175.900 0.127 0.000 1.031 102 Y CA -0.989 57.161 58.100 0.083 0.000 1.022 102 Y CB 0.666 39.154 38.460 0.048 0.000 1.292 102 Y HN 0.390 nan 8.280 nan 0.000 0.459 103 G N 0.562 109.522 108.800 0.266 0.000 2.510 103 G HA2 0.242 4.202 3.960 -0.001 0.000 0.212 103 G HA3 0.242 4.202 3.960 -0.001 0.000 0.212 103 G C -0.285 174.845 174.900 0.383 0.000 1.151 103 G CA 0.482 45.703 45.100 0.202 0.000 0.817 103 G HN 0.589 nan 8.290 nan 0.000 0.534 104 T N 0.437 115.205 114.554 0.357 0.000 2.879 104 T HA 0.510 4.860 4.350 -0.001 0.000 0.290 104 T C -1.610 173.095 174.700 0.009 0.000 0.993 104 T CA -0.392 61.843 62.100 0.224 0.000 0.975 104 T CB 2.448 71.336 68.868 0.033 0.000 0.981 104 T HN 0.102 nan 8.240 nan 0.000 0.439 105 L N 4.561 125.619 121.223 -0.275 0.000 2.329 105 L HA 0.836 5.175 4.340 -0.001 0.000 0.279 105 L C -1.230 175.391 176.870 -0.416 0.000 1.014 105 L CA -0.541 53.883 54.840 -0.694 0.000 0.814 105 L CB 1.513 42.638 42.059 -1.556 0.000 1.257 105 L HN 0.465 nan 8.230 nan 0.000 0.424 106 V N 6.297 125.960 119.914 -0.418 0.000 2.483 106 V HA 0.411 4.530 4.120 -0.001 0.000 0.297 106 V C -0.298 175.563 176.094 -0.388 0.000 1.027 106 V CA -0.572 61.481 62.300 -0.411 0.000 0.855 106 V CB 1.609 33.030 31.823 -0.669 0.000 0.995 106 V HN 0.582 nan 8.190 nan 0.000 0.424 107 L N 4.420 125.449 121.223 -0.323 0.000 2.255 107 L HA 0.703 5.043 4.340 -0.001 0.000 0.289 107 L C 0.613 177.353 176.870 -0.215 0.000 1.046 107 L CA -0.218 54.471 54.840 -0.251 0.000 0.816 107 L CB 1.285 43.227 42.059 -0.195 0.000 1.197 107 L HN 0.764 nan 8.230 nan 0.000 0.427 108 A N 1.195 123.898 122.820 -0.194 0.000 2.956 108 A HA 0.274 4.593 4.320 -0.001 0.000 0.294 108 A C 1.002 178.517 177.584 -0.116 0.000 0.993 108 A CA -0.269 51.667 52.037 -0.168 0.000 1.032 108 A CB -0.209 18.679 19.000 -0.187 0.000 1.129 108 A HN 0.712 nan 8.150 nan 0.000 0.505 109 T N -3.259 111.236 114.554 -0.099 0.000 3.129 109 T HA 0.433 4.783 4.350 -0.001 0.000 0.251 109 T C 1.371 176.031 174.700 -0.067 0.000 1.117 109 T CA 0.886 62.945 62.100 -0.069 0.000 1.034 109 T CB -0.202 68.636 68.868 -0.051 0.000 0.968 109 T HN 1.851 nan 8.240 nan 0.000 0.526 110 G N 1.675 110.426 108.800 -0.082 0.000 2.566 110 G HA2 0.185 4.145 3.960 -0.001 0.000 0.280 110 G HA3 0.185 4.145 3.960 -0.001 0.000 0.280 110 G C -0.068 174.792 174.900 -0.068 0.000 1.225 110 G CA -0.089 44.962 45.100 -0.080 0.000 0.966 110 G HN 1.530 nan 8.290 nan 0.000 0.560 111 A N -1.404 121.380 122.820 -0.060 0.000 2.587 111 A HA 1.059 5.378 4.320 -0.001 0.000 0.293 111 A C -0.071 177.489 177.584 -0.040 0.000 1.087 111 A CA 0.494 52.500 52.037 -0.052 0.000 0.692 111 A CB 1.254 20.219 19.000 -0.059 0.000 1.291 111 A HN 2.635 nan 8.150 nan 0.000 0.407 112 A N 1.113 123.914 122.820 -0.031 0.000 2.374 112 A HA 0.903 5.223 4.320 -0.001 0.000 0.317 112 A C -3.016 174.557 177.584 -0.019 0.000 1.094 112 A CA -1.927 50.099 52.037 -0.020 0.000 0.765 112 A CB 0.912 19.904 19.000 -0.013 0.000 1.268 112 A HN 0.482 nan 8.150 nan 0.000 0.438 113 P HA 0.145 nan 4.420 nan 0.000 0.266 113 P C -0.528 176.766 177.300 -0.011 0.000 1.195 113 P CA 0.153 63.246 63.100 -0.011 0.000 0.768 113 P CB 0.345 32.045 31.700 -0.001 0.000 0.838 114 R N 1.910 122.402 120.500 -0.015 0.000 2.537 114 R HA 0.437 4.777 4.340 -0.001 0.000 0.280 114 R C 0.484 176.778 176.300 -0.009 0.000 1.058 114 R CA -0.263 55.829 56.100 -0.013 0.000 1.057 114 R CB 0.365 30.655 30.300 -0.016 0.000 0.973 114 R HN 0.496 nan 8.270 nan 0.000 0.438 115 A N 2.880 125.696 122.820 -0.008 0.000 2.286 115 A HA 0.318 4.637 4.320 -0.001 0.000 0.286 115 A C -0.721 176.857 177.584 -0.010 0.000 1.097 115 A CA -0.594 51.438 52.037 -0.007 0.000 0.821 115 A CB 0.611 19.608 19.000 -0.005 0.000 1.076 115 A HN 0.492 nan 8.150 nan 0.000 0.490 116 L N 2.474 123.689 121.223 -0.013 0.000 2.259 116 L HA 0.426 4.765 4.340 -0.001 0.000 0.288 116 L C -1.776 175.086 176.870 -0.014 0.000 1.051 116 L CA -1.894 52.938 54.840 -0.015 0.000 0.824 116 L CB 1.004 43.052 42.059 -0.019 0.000 1.206 116 L HN 0.413 nan 8.230 nan 0.000 0.429 117 P HA -0.141 nan 4.420 nan 0.000 0.218 117 P C 1.303 178.596 177.300 -0.011 0.000 1.148 117 P CA 1.536 64.630 63.100 -0.010 0.000 0.822 117 P CB 0.052 31.747 31.700 -0.008 0.000 0.784 118 T N -3.559 110.987 114.554 -0.012 0.000 3.035 118 T HA -0.014 4.336 4.350 -0.001 0.000 0.268 118 T C 1.380 176.069 174.700 -0.017 0.000 1.109 118 T CA 0.795 62.887 62.100 -0.014 0.000 1.119 118 T CB -0.836 68.024 68.868 -0.013 0.000 0.900 118 T HN 0.092 nan 8.240 nan 0.000 0.503 119 L N -0.148 121.063 121.223 -0.020 0.000 2.728 119 L HA 0.342 4.682 4.340 -0.001 0.000 0.238 119 L C 2.408 179.263 176.870 -0.024 0.000 1.143 119 L CA -0.169 54.656 54.840 -0.026 0.000 0.937 119 L CB -0.008 42.031 42.059 -0.033 0.000 1.225 119 L HN 0.131 nan 8.230 nan 0.000 0.507 120 Q N 1.101 120.891 119.800 -0.018 0.000 2.135 120 Q HA -0.112 4.228 4.340 -0.001 0.000 0.204 120 Q C 1.894 177.885 176.000 -0.015 0.000 0.981 120 Q CA 1.748 57.542 55.803 -0.015 0.000 0.856 120 Q CB -0.169 28.562 28.738 -0.011 0.000 0.902 120 Q HN 0.403 nan 8.270 nan 0.000 0.425 121 G N -1.260 107.530 108.800 -0.015 0.000 3.523 121 G HA2 0.470 4.429 3.960 -0.001 0.000 0.270 121 G HA3 0.470 4.429 3.960 -0.001 0.000 0.270 121 G C -0.127 174.762 174.900 -0.018 0.000 1.134 121 G CA 0.209 45.301 45.100 -0.014 0.000 0.825 121 G HN 0.423 nan 8.290 nan 0.000 0.534 122 A N 0.092 122.897 122.820 -0.024 0.000 2.425 122 A HA 0.494 4.814 4.320 -0.001 0.000 0.242 122 A C 1.616 179.182 177.584 -0.031 0.000 1.077 122 A CA 0.800 52.818 52.037 -0.030 0.000 0.781 122 A CB 0.469 19.444 19.000 -0.042 0.000 1.020 122 A HN 0.466 nan 8.150 nan 0.000 0.494 123 T N -0.772 113.764 114.554 -0.029 0.000 3.000 123 T HA 0.206 4.556 4.350 -0.001 0.000 0.248 123 T C 0.891 175.572 174.700 -0.032 0.000 1.034 123 T CA 0.609 62.694 62.100 -0.025 0.000 1.060 123 T CB -0.524 68.333 68.868 -0.017 0.000 0.983 123 T HN 0.750 nan 8.240 nan 0.000 0.482 124 M N 1.255 120.831 119.600 -0.040 0.000 2.198 124 M HA 0.512 4.991 4.480 -0.001 0.000 0.315 124 M C -2.728 173.518 176.300 -0.089 0.000 1.134 124 M CA -1.930 53.340 55.300 -0.050 0.000 1.171 124 M CB -0.483 32.089 32.600 -0.046 0.000 1.413 124 M HN -0.266 nan 8.290 nan 0.000 0.467 125 P HA 0.235 nan 4.420 nan 0.000 0.271 125 P C -1.246 175.819 177.300 -0.391 0.000 1.226 125 P CA -0.215 62.741 63.100 -0.241 0.000 0.765 125 P CB 0.555 32.173 31.700 -0.136 0.000 0.835 126 V N 5.246 124.853 119.914 -0.511 0.000 2.525 126 V HA 0.352 4.471 4.120 -0.001 0.000 0.299 126 V C -0.234 175.590 176.094 -0.450 0.000 1.034 126 V CA -0.532 61.540 62.300 -0.380 0.000 0.863 126 V CB 1.368 33.089 31.823 -0.170 0.000 0.999 126 V HN 0.612 nan 8.190 nan 0.000 0.423 127 H N 1.690 120.760 119.070 -0.002 0.000 2.797 127 H HA 0.715 5.271 4.556 -0.001 0.000 0.372 127 H C -0.064 175.263 175.328 -0.001 0.000 1.168 127 H CA -0.533 55.517 56.048 0.002 0.000 1.163 127 H CB 2.425 32.191 29.762 0.007 0.000 1.778 127 H HN 0.688 nan 8.280 nan 0.000 0.551 128 T N -0.998 113.640 114.554 0.140 0.000 2.937 128 T HA 0.505 4.854 4.350 -0.001 0.000 0.283 128 T C -0.323 174.420 174.700 0.071 0.000 1.012 128 T CA -0.964 61.181 62.100 0.075 0.000 0.997 128 T CB 1.391 70.284 68.868 0.042 0.000 1.136 128 T HN 0.216 nan 8.240 nan 0.000 0.551 129 L N 0.989 122.238 121.223 0.043 0.000 2.401 129 L HA 0.703 5.042 4.340 -0.001 0.000 0.263 129 L C 0.361 177.249 176.870 0.030 0.000 1.004 129 L CA -0.370 54.493 54.840 0.038 0.000 0.881 129 L CB 1.189 43.270 42.059 0.037 0.000 1.219 129 L HN 0.838 nan 8.230 nan 0.000 0.441 130 R N 1.327 121.849 120.500 0.035 0.000 2.663 130 R HA 0.350 4.690 4.340 -0.001 0.000 0.199 130 R C 0.124 176.466 176.300 0.071 0.000 0.870 130 R CA 1.087 57.209 56.100 0.036 0.000 1.040 130 R CB 0.435 30.747 30.300 0.020 0.000 1.524 130 R HN 0.599 nan 8.270 nan 0.000 0.643 131 T N -1.854 112.745 114.554 0.075 0.000 2.949 131 T HA 0.278 4.628 4.350 -0.001 0.000 0.287 131 T C 0.856 175.569 174.700 0.022 0.000 1.034 131 T CA -0.750 61.428 62.100 0.129 0.000 1.018 131 T CB 1.162 70.091 68.868 0.101 0.000 1.135 131 T HN -0.043 nan 8.240 nan 0.000 0.532 132 L N 0.818 121.972 121.223 -0.114 0.000 2.042 132 L HA 0.007 4.346 4.340 -0.001 0.000 0.210 132 L C 2.667 179.432 176.870 -0.175 0.000 1.076 132 L CA 2.041 56.644 54.840 -0.395 0.000 0.749 132 L CB -1.353 40.234 42.059 -0.786 0.000 0.893 132 L HN 1.024 nan 8.230 nan 0.000 0.432 133 E N -0.823 119.318 120.200 -0.099 0.000 2.070 133 E HA -0.272 4.078 4.350 -0.001 0.000 0.197 133 E C 1.725 178.300 176.600 -0.042 0.000 1.004 133 E CA 1.702 58.073 56.400 -0.049 0.000 0.805 133 E CB 0.005 29.691 29.700 -0.024 0.000 0.744 133 E HN 0.494 nan 8.360 nan 0.000 0.451 134 D N 0.133 120.514 120.400 -0.030 0.000 2.104 134 D HA -0.181 4.459 4.640 -0.001 0.000 0.194 134 D C 1.855 178.130 176.300 -0.042 0.000 0.994 134 D CA 1.605 55.581 54.000 -0.041 0.000 0.830 134 D CB -0.461 40.341 40.800 0.004 0.000 0.959 134 D HN 0.344 nan 8.370 nan 0.000 0.452 135 A N 0.923 123.753 122.820 0.016 0.000 1.898 135 A HA -0.170 4.149 4.320 -0.001 0.000 0.216 135 A C 2.199 179.868 177.584 0.142 0.000 1.181 135 A CA 1.301 53.404 52.037 0.109 0.000 0.620 135 A CB -0.446 18.675 19.000 0.201 0.000 0.819 135 A HN 0.115 nan 8.150 nan 0.000 0.442 136 R N -1.000 119.593 120.500 0.154 0.000 2.091 136 R HA -0.103 4.237 4.340 -0.001 0.000 0.238 136 R C 2.515 178.805 176.300 -0.017 0.000 1.136 136 R CA 1.598 57.761 56.100 0.104 0.000 0.959 136 R CB -0.282 30.075 30.300 0.095 0.000 0.856 136 R HN 0.474 nan 8.270 nan 0.000 0.437 137 R N 0.583 121.028 120.500 -0.091 0.000 2.075 137 R HA -0.048 4.291 4.340 -0.001 0.000 0.232 137 R C 2.217 178.361 176.300 -0.260 0.000 1.126 137 R CA 1.249 57.225 56.100 -0.207 0.000 0.963 137 R CB -0.136 29.959 30.300 -0.342 0.000 0.858 137 R HN 0.197 nan 8.270 nan 0.000 0.435 138 I N 0.504 120.935 120.570 -0.231 0.000 2.202 138 I HA -0.302 3.868 4.170 -0.001 0.000 0.242 138 I C 2.780 178.874 176.117 -0.038 0.000 1.091 138 I CA 1.044 62.282 61.300 -0.103 0.000 1.368 138 I CB -0.384 37.601 38.000 -0.026 0.000 1.058 138 I HN 0.259 nan 8.210 nan 0.000 0.410 139 Q N 1.363 121.140 119.800 -0.038 0.000 2.077 139 Q HA -0.245 4.094 4.340 -0.001 0.000 0.206 139 Q C 2.297 178.270 176.000 -0.046 0.000 0.989 139 Q CA 2.328 58.100 55.803 -0.050 0.000 0.853 139 Q CB -0.330 28.358 28.738 -0.083 0.000 0.907 139 Q HN 0.546 nan 8.270 nan 0.000 0.418 140 A N -0.513 122.282 122.820 -0.043 0.000 2.139 140 A HA -0.102 4.218 4.320 -0.001 0.000 0.221 140 A C 1.884 179.461 177.584 -0.012 0.000 1.159 140 A CA 1.708 53.728 52.037 -0.029 0.000 0.662 140 A CB -0.579 18.405 19.000 -0.027 0.000 0.796 140 A HN 0.502 nan 8.150 nan 0.000 0.463 141 G N -1.742 107.057 108.800 -0.002 0.000 3.192 141 G HA2 0.365 4.325 3.960 -0.001 0.000 0.239 141 G HA3 0.365 4.325 3.960 -0.001 0.000 0.239 141 G C 0.510 175.417 174.900 0.011 0.000 1.084 141 G CA -0.278 44.834 45.100 0.020 0.000 0.784 141 G HN 0.324 nan 8.290 nan 0.000 0.540 142 L N 2.017 123.235 121.223 -0.007 0.000 2.821 142 L HA 0.242 4.582 4.340 -0.001 0.000 0.239 142 L C 1.032 177.885 176.870 -0.030 0.000 1.391 142 L CA -0.284 54.546 54.840 -0.018 0.000 1.231 142 L CB -0.290 41.751 42.059 -0.031 0.000 1.598 142 L HN 0.142 nan 8.230 nan 0.000 0.428 143 R N 1.778 122.266 120.500 -0.021 0.000 2.537 143 R HA 0.178 4.517 4.340 -0.001 0.000 0.280 143 R C -2.191 174.084 176.300 -0.042 0.000 1.058 143 R CA -1.435 54.650 56.100 -0.025 0.000 1.057 143 R CB 0.709 31.002 30.300 -0.011 0.000 0.973 143 R HN 0.021 nan 8.270 nan 0.000 0.438 144 P HA -0.039 nan 4.420 nan 0.000 0.264 144 P C -0.676 176.575 177.300 -0.081 0.000 1.183 144 P CA 0.511 63.564 63.100 -0.079 0.000 0.763 144 P CB 0.581 32.245 31.700 -0.060 0.000 0.807 145 Q N -1.021 118.677 119.800 -0.170 0.000 2.305 145 Q HA -0.211 4.129 4.340 -0.001 0.000 0.203 145 Q C 0.290 176.326 176.000 0.060 0.000 0.663 145 Q CA 1.668 57.395 55.803 -0.127 0.000 1.389 145 Q CB -2.590 26.165 28.738 0.028 0.000 1.566 145 Q HN 0.692 nan 8.270 nan 0.000 0.755 146 S N -0.276 115.431 115.700 0.011 0.000 2.596 146 S HA 0.482 4.952 4.470 -0.001 0.000 0.260 146 S C 0.157 174.817 174.600 0.099 0.000 1.336 146 S CA -0.607 57.625 58.200 0.054 0.000 0.993 146 S CB 1.173 64.385 63.200 0.019 0.000 0.923 146 S HN 0.281 nan 8.310 nan 0.000 0.567 147 R N 0.548 121.101 120.500 0.089 0.000 2.310 147 R HA 0.488 4.827 4.340 -0.001 0.000 0.324 147 R C -1.285 175.042 176.300 0.045 0.000 0.955 147 R CA -0.711 55.444 56.100 0.091 0.000 0.830 147 R CB 1.235 31.572 30.300 0.062 0.000 1.154 147 R HN 0.575 nan 8.270 nan 0.000 0.458 148 L N 4.488 125.735 121.223 0.040 0.000 2.295 148 L HA 0.447 4.787 4.340 -0.001 0.000 0.285 148 L C -1.324 175.548 176.870 0.004 0.000 1.035 148 L CA -0.781 54.070 54.840 0.019 0.000 0.806 148 L CB 1.391 43.460 42.059 0.016 0.000 1.214 148 L HN 0.480 nan 8.230 nan 0.000 0.426 149 L N 6.441 127.659 121.223 -0.009 0.000 2.287 149 L HA 0.605 4.944 4.340 -0.001 0.000 0.287 149 L C -0.954 175.899 176.870 -0.029 0.000 1.022 149 L CA -0.001 54.824 54.840 -0.025 0.000 0.814 149 L CB 1.036 43.075 42.059 -0.032 0.000 1.217 149 L HN 0.581 nan 8.230 nan 0.000 0.420 150 I N 5.693 126.237 120.570 -0.042 0.000 2.336 150 I HA 0.354 4.524 4.170 -0.001 0.000 0.292 150 I C -0.605 175.476 176.117 -0.059 0.000 0.991 150 I CA -0.829 60.444 61.300 -0.046 0.000 1.227 150 I CB 1.754 39.721 38.000 -0.055 0.000 1.366 150 I HN 0.282 nan 8.210 nan 0.000 0.466 151 V N 5.610 125.495 119.914 -0.047 0.000 2.333 151 V HA 0.788 4.907 4.120 -0.001 0.000 0.274 151 V C 0.409 176.475 176.094 -0.047 0.000 1.028 151 V CA -0.400 61.870 62.300 -0.050 0.000 0.851 151 V CB 0.542 32.342 31.823 -0.039 0.000 1.000 151 V HN 1.064 nan 8.190 nan 0.000 0.456 152 G N 3.474 112.240 108.800 -0.056 0.000 3.226 152 G HA2 0.235 4.194 3.960 -0.001 0.000 0.685 152 G HA3 0.235 4.194 3.960 -0.001 0.000 0.685 152 G C 0.073 174.938 174.900 -0.059 0.000 1.207 152 G CA -0.471 44.602 45.100 -0.046 0.000 0.877 152 G HN 1.185 nan 8.290 nan 0.000 0.585 153 G N 0.556 109.331 108.800 -0.042 0.000 3.820 153 G HA2 0.665 4.624 3.960 -0.001 0.000 0.293 153 G HA3 0.665 4.624 3.960 -0.001 0.000 0.293 153 G C 0.885 175.776 174.900 -0.015 0.000 1.152 153 G CA 0.952 46.028 45.100 -0.041 0.000 0.921 153 G HN 1.306 nan 8.290 nan 0.000 0.544 154 G N -0.483 108.298 108.800 -0.032 0.000 2.621 154 G HA2 0.356 4.316 3.960 -0.001 0.000 0.271 154 G HA3 0.356 4.316 3.960 -0.001 0.000 0.271 154 G C 1.471 176.340 174.900 -0.052 0.000 1.236 154 G CA 0.278 45.354 45.100 -0.041 0.000 0.958 154 G HN 0.564 nan 8.290 nan 0.000 0.512 155 V N -1.030 118.837 119.914 -0.078 0.000 2.407 155 V HA -0.169 3.951 4.120 -0.001 0.000 0.248 155 V C 2.526 178.578 176.094 -0.070 0.000 1.055 155 V CA 1.819 64.076 62.300 -0.071 0.000 1.049 155 V CB -0.884 30.859 31.823 -0.133 0.000 0.662 155 V HN 0.614 nan 8.190 nan 0.000 0.455 156 I N 1.781 122.300 120.570 -0.084 0.000 2.179 156 I HA -0.085 4.085 4.170 -0.001 0.000 0.242 156 I C 2.874 178.969 176.117 -0.036 0.000 1.088 156 I CA 1.804 63.069 61.300 -0.057 0.000 1.357 156 I CB -1.136 36.831 38.000 -0.054 0.000 1.051 156 I HN 0.448 nan 8.210 nan 0.000 0.409 157 G N 1.050 109.822 108.800 -0.047 0.000 2.440 157 G HA2 -0.207 3.752 3.960 -0.001 0.000 0.218 157 G HA3 -0.207 3.752 3.960 -0.001 0.000 0.218 157 G C 1.707 176.563 174.900 -0.073 0.000 1.154 157 G CA 0.634 45.701 45.100 -0.054 0.000 0.767 157 G HN 0.279 nan 8.290 nan 0.000 0.552 158 L N -0.152 121.018 121.223 -0.088 0.000 2.156 158 L HA 0.028 4.368 4.340 -0.001 0.000 0.208 158 L C 2.846 179.732 176.870 0.026 0.000 1.095 158 L CA 0.889 55.643 54.840 -0.142 0.000 0.770 158 L CB -0.349 41.633 42.059 -0.128 0.000 0.914 158 L HN 0.278 nan 8.230 nan 0.000 0.439 159 E N 0.110 120.334 120.200 0.040 0.000 2.051 159 E HA -0.261 4.089 4.350 -0.001 0.000 0.192 159 E C 2.073 178.712 176.600 0.064 0.000 0.991 159 E CA 1.116 57.559 56.400 0.072 0.000 0.799 159 E CB -0.141 29.581 29.700 0.037 0.000 0.748 159 E HN 0.214 nan 8.360 nan 0.000 0.449 160 L N 1.077 122.318 121.223 0.030 0.000 2.046 160 L HA -0.133 4.207 4.340 -0.001 0.000 0.208 160 L C 2.203 179.088 176.870 0.026 0.000 1.077 160 L CA 2.012 56.867 54.840 0.025 0.000 0.747 160 L CB -0.763 41.303 42.059 0.012 0.000 0.896 160 L HN 0.061 nan 8.230 nan 0.000 0.432 161 A N -0.323 122.504 122.820 0.011 0.000 1.892 161 A HA -0.241 4.078 4.320 -0.001 0.000 0.218 161 A C 2.474 180.111 177.584 0.089 0.000 1.188 161 A CA 2.426 54.473 52.037 0.017 0.000 0.631 161 A CB -1.332 17.627 19.000 -0.068 0.000 0.822 161 A HN 0.614 nan 8.150 nan 0.000 0.447 162 A N -1.299 121.621 122.820 0.167 0.000 1.877 162 A HA -0.084 4.235 4.320 -0.001 0.000 0.216 162 A C 2.332 179.968 177.584 0.087 0.000 1.186 162 A CA 2.362 54.508 52.037 0.180 0.000 0.620 162 A CB -1.362 17.782 19.000 0.239 0.000 0.822 162 A HN 0.456 nan 8.150 nan 0.000 0.443 163 T N 0.428 115.018 114.554 0.060 0.000 2.708 163 T HA -0.052 4.297 4.350 -0.001 0.000 0.266 163 T C 2.228 176.922 174.700 -0.009 0.000 1.037 163 T CA 1.713 63.820 62.100 0.013 0.000 1.146 163 T CB -0.524 68.344 68.868 0.001 0.000 0.865 163 T HN 0.609 nan 8.240 nan 0.000 0.435 164 A N 2.082 124.901 122.820 -0.001 0.000 1.883 164 A HA -0.154 4.165 4.320 -0.001 0.000 0.217 164 A C 2.416 179.984 177.584 -0.028 0.000 1.186 164 A CA 1.245 53.272 52.037 -0.018 0.000 0.624 164 A CB -0.400 18.594 19.000 -0.009 0.000 0.822 164 A HN 0.206 nan 8.150 nan 0.000 0.444 165 R N -0.514 119.981 120.500 -0.008 0.000 2.081 165 R HA -0.086 4.253 4.340 -0.001 0.000 0.235 165 R C 2.229 178.513 176.300 -0.027 0.000 1.131 165 R CA 1.847 57.935 56.100 -0.019 0.000 0.960 165 R CB -1.699 28.602 30.300 0.002 0.000 0.856 165 R HN 0.580 nan 8.270 nan 0.000 0.436 166 T N 1.385 115.933 114.554 -0.010 0.000 2.720 166 T HA -0.123 4.227 4.350 -0.001 0.000 0.268 166 T C 1.713 176.395 174.700 -0.031 0.000 1.037 166 T CA 1.601 63.694 62.100 -0.012 0.000 1.144 166 T CB -0.225 68.645 68.868 0.002 0.000 0.864 166 T HN 0.383 nan 8.240 nan 0.000 0.444 167 A N 0.340 123.133 122.820 -0.046 0.000 2.239 167 A HA 0.443 4.762 4.320 -0.001 0.000 0.209 167 A C 1.913 179.454 177.584 -0.072 0.000 1.171 167 A CA 0.962 52.965 52.037 -0.058 0.000 0.768 167 A CB -0.963 17.997 19.000 -0.066 0.000 0.790 167 A HN 0.806 nan 8.150 nan 0.000 0.478 168 G N -1.644 107.104 108.800 -0.086 0.000 2.143 168 G HA2 -0.187 3.773 3.960 -0.001 0.000 0.248 168 G HA3 -0.187 3.773 3.960 -0.001 0.000 0.248 168 G C 0.108 174.869 174.900 -0.231 0.000 0.991 168 G CA 0.172 45.190 45.100 -0.136 0.000 0.689 168 G HN 0.766 nan 8.290 nan 0.000 0.522 169 V N 2.508 122.313 119.914 -0.181 0.000 2.546 169 V HA 0.371 4.491 4.120 -0.001 0.000 0.284 169 V C 0.794 176.768 176.094 -0.199 0.000 1.050 169 V CA -1.067 61.119 62.300 -0.191 0.000 0.981 169 V CB 1.156 32.931 31.823 -0.080 0.000 0.990 169 V HN 0.355 nan 8.190 nan 0.000 0.474 170 H N 3.176 122.238 119.070 -0.013 0.000 2.683 170 H HA 0.395 4.951 4.556 -0.001 0.000 0.339 170 H C -0.491 174.825 175.328 -0.020 0.000 1.081 170 H CA -0.141 55.897 56.048 -0.017 0.000 1.432 170 H CB 1.390 31.142 29.762 -0.018 0.000 1.462 170 H HN 0.353 nan 8.280 nan 0.000 0.557 171 V N 3.266 123.234 119.914 0.091 0.000 2.483 171 V HA 0.190 4.310 4.120 -0.001 0.000 0.297 171 V C -0.017 176.079 176.094 0.003 0.000 1.027 171 V CA -0.667 61.651 62.300 0.030 0.000 0.855 171 V CB 1.792 33.620 31.823 0.008 0.000 0.995 171 V HN 0.735 nan 8.190 nan 0.000 0.424 172 S N 5.099 120.789 115.700 -0.016 0.000 2.537 172 S HA 0.836 5.306 4.470 -0.001 0.000 0.301 172 S C -0.691 173.864 174.600 -0.074 0.000 1.092 172 S CA -0.568 57.603 58.200 -0.048 0.000 1.048 172 S CB 1.882 65.055 63.200 -0.045 0.000 1.053 172 S HN 0.666 nan 8.310 nan 0.000 0.501 173 L N 2.732 123.884 121.223 -0.117 0.000 2.438 173 L HA 0.678 5.018 4.340 -0.001 0.000 0.270 173 L C -1.701 175.052 176.870 -0.195 0.000 0.972 173 L CA -0.587 54.164 54.840 -0.148 0.000 0.831 173 L CB 1.459 43.413 42.059 -0.176 0.000 1.273 173 L HN 0.456 nan 8.230 nan 0.000 0.405 174 V N 3.413 123.235 119.914 -0.154 0.000 2.417 174 V HA 0.561 4.681 4.120 -0.001 0.000 0.291 174 V C -0.633 175.379 176.094 -0.137 0.000 1.024 174 V CA -0.461 61.749 62.300 -0.149 0.000 0.861 174 V CB 1.664 33.432 31.823 -0.090 0.000 0.985 174 V HN 0.732 nan 8.190 nan 0.000 0.436 175 E N 2.591 122.700 120.200 -0.153 0.000 2.246 175 E HA 0.388 4.738 4.350 -0.001 0.000 0.266 175 E C 0.809 177.422 176.600 0.021 0.000 0.880 175 E CA -0.098 56.264 56.400 -0.062 0.000 0.762 175 E CB 2.067 31.732 29.700 -0.059 0.000 1.180 175 E HN 0.707 nan 8.360 nan 0.000 0.416 176 T N 1.313 115.886 114.554 0.032 0.000 2.915 176 T HA -0.021 4.329 4.350 -0.001 0.000 0.269 176 T C 0.757 175.504 174.700 0.077 0.000 1.071 176 T CA 0.615 62.741 62.100 0.044 0.000 1.132 176 T CB -0.004 68.879 68.868 0.026 0.000 0.878 176 T HN 0.294 nan 8.240 nan 0.000 0.479 177 Q N 1.430 121.293 119.800 0.105 0.000 2.249 177 Q HA 0.303 4.643 4.340 -0.001 0.000 0.226 177 Q C -1.937 174.168 176.000 0.175 0.000 0.983 177 Q CA -2.471 53.399 55.803 0.111 0.000 0.930 177 Q CB 0.981 29.775 28.738 0.094 0.000 1.193 177 Q HN 0.139 nan 8.270 nan 0.000 0.508 178 P HA -0.003 nan 4.420 nan 0.000 0.245 178 P C -0.499 176.679 177.300 -0.202 0.000 1.212 178 P CA 0.779 63.880 63.100 0.003 0.000 0.774 178 P CB 0.411 32.084 31.700 -0.045 0.000 0.999 179 R N -1.548 118.947 120.500 -0.008 0.000 2.799 179 R HA 0.618 4.957 4.340 -0.001 0.000 0.270 179 R C -0.666 175.781 176.300 0.246 0.000 1.010 179 R CA -1.132 54.953 56.100 -0.026 0.000 0.916 179 R CB 0.819 31.101 30.300 -0.030 0.000 1.228 179 R HN -0.203 nan 8.270 nan 0.000 0.469 180 L N 1.633 123.036 121.223 0.299 0.000 2.456 180 L HA 0.329 4.668 4.340 -0.001 0.000 0.257 180 L C 0.526 177.483 176.870 0.146 0.000 1.162 180 L CA -0.656 54.326 54.840 0.236 0.000 0.808 180 L CB 0.305 42.507 42.059 0.237 0.000 1.136 180 L HN 0.772 nan 8.230 nan 0.000 0.466 181 M N 0.436 120.099 119.600 0.105 0.000 2.206 181 M HA -0.233 4.246 4.480 -0.001 0.000 0.197 181 M C 1.258 177.609 176.300 0.084 0.000 0.375 181 M CA 0.700 56.051 55.300 0.085 0.000 0.410 181 M CB -1.223 31.452 32.600 0.126 0.000 1.204 181 M HN 0.834 nan 8.290 nan 0.000 0.932 182 S N -1.039 114.703 115.700 0.069 0.000 2.447 182 S HA -0.104 4.366 4.470 -0.001 0.000 0.233 182 S C 2.080 176.711 174.600 0.052 0.000 1.006 182 S CA 1.035 59.273 58.200 0.063 0.000 0.957 182 S CB -0.302 62.932 63.200 0.057 0.000 0.773 182 S HN 0.781 nan 8.310 nan 0.000 0.507 183 R N 1.734 122.254 120.500 0.033 0.000 2.070 183 R HA 0.490 4.829 4.340 -0.001 0.000 0.232 183 R C 1.771 178.098 176.300 0.045 0.000 1.138 183 R CA 1.593 57.703 56.100 0.018 0.000 0.936 183 R CB -1.523 28.761 30.300 -0.028 0.000 0.839 183 R HN 1.137 nan 8.270 nan 0.000 0.429 184 A N -1.051 121.814 122.820 0.074 0.000 3.453 184 A HA 0.698 5.017 4.320 -0.001 0.000 0.262 184 A C -0.231 177.506 177.584 0.255 0.000 1.026 184 A CA 0.231 52.361 52.037 0.155 0.000 0.938 184 A CB -0.003 19.102 19.000 0.175 0.000 1.246 184 A HN 1.418 nan 8.150 nan 0.000 0.546 185 A N 1.049 123.985 122.820 0.192 0.000 2.422 185 A HA 0.884 5.203 4.320 -0.001 0.000 0.302 185 A C -3.222 174.449 177.584 0.145 0.000 1.041 185 A CA -1.655 50.501 52.037 0.198 0.000 0.708 185 A CB 1.073 20.198 19.000 0.209 0.000 1.257 185 A HN 0.228 nan 8.150 nan 0.000 0.414 186 P HA 0.219 nan 4.420 nan 0.000 0.267 186 P C 1.078 178.445 177.300 0.113 0.000 1.200 186 P CA 0.601 63.769 63.100 0.113 0.000 0.772 186 P CB 0.863 32.632 31.700 0.115 0.000 0.855 187 A N 2.987 125.858 122.820 0.085 0.000 1.917 187 A HA -0.215 4.104 4.320 -0.001 0.000 0.219 187 A C 2.062 179.697 177.584 0.085 0.000 1.182 187 A CA 2.516 54.595 52.037 0.070 0.000 0.633 187 A CB -1.927 17.098 19.000 0.042 0.000 0.819 187 A HN 0.554 nan 8.150 nan 0.000 0.448 188 T N -0.088 114.515 114.554 0.083 0.000 2.720 188 T HA -0.163 4.187 4.350 -0.001 0.000 0.268 188 T C 1.831 176.629 174.700 0.163 0.000 1.037 188 T CA 1.584 63.732 62.100 0.079 0.000 1.144 188 T CB -0.392 68.499 68.868 0.039 0.000 0.864 188 T HN 0.357 nan 8.240 nan 0.000 0.444 189 L N 1.456 122.810 121.223 0.218 0.000 1.994 189 L HA 0.081 4.420 4.340 -0.001 0.000 0.208 189 L C 2.638 179.690 176.870 0.303 0.000 1.071 189 L CA 2.040 57.072 54.840 0.319 0.000 0.745 189 L CB -1.123 41.088 42.059 0.254 0.000 0.892 189 L HN 0.217 nan 8.230 nan 0.000 0.431 190 A N -0.856 122.091 122.820 0.211 0.000 1.940 190 A HA -0.233 4.087 4.320 -0.001 0.000 0.219 190 A C 2.005 179.693 177.584 0.174 0.000 1.176 190 A CA 1.943 54.091 52.037 0.185 0.000 0.631 190 A CB -0.890 18.189 19.000 0.132 0.000 0.814 190 A HN 0.556 nan 8.150 nan 0.000 0.446 191 D N -1.189 119.298 120.400 0.144 0.000 2.097 191 D HA -0.124 4.516 4.640 -0.001 0.000 0.195 191 D C 1.609 178.013 176.300 0.173 0.000 0.989 191 D CA 1.255 55.319 54.000 0.107 0.000 0.827 191 D CB -0.448 40.396 40.800 0.073 0.000 0.966 191 D HN 0.454 nan 8.370 nan 0.000 0.456 192 F N 1.371 121.384 119.950 0.105 0.000 2.102 192 F HA -0.197 4.329 4.527 -0.001 0.000 0.298 192 F C 2.184 178.110 175.800 0.210 0.000 1.105 192 F CA 0.961 59.045 58.000 0.139 0.000 1.239 192 F CB -0.403 38.702 39.000 0.175 0.000 0.991 192 F HN -0.212 nan 8.300 nan 0.000 0.474 193 V N 0.673 120.706 119.914 0.199 0.000 2.332 193 V HA -0.342 3.778 4.120 -0.001 0.000 0.248 193 V C 2.755 178.998 176.094 0.248 0.000 1.055 193 V CA 1.828 64.239 62.300 0.185 0.000 1.038 193 V CB -1.647 30.355 31.823 0.299 0.000 0.651 193 V HN 0.508 nan 8.190 nan 0.000 0.450 194 A N -0.132 122.821 122.820 0.222 0.000 1.902 194 A HA -0.225 4.095 4.320 -0.001 0.000 0.217 194 A C 2.384 180.051 177.584 0.139 0.000 1.181 194 A CA 1.804 53.994 52.037 0.255 0.000 0.623 194 A CB -0.493 18.677 19.000 0.284 0.000 0.818 194 A HN 0.507 nan 8.150 nan 0.000 0.443 195 R N -2.139 118.376 120.500 0.026 0.000 2.081 195 R HA -0.172 4.168 4.340 -0.001 0.000 0.235 195 R C 2.179 178.410 176.300 -0.115 0.000 1.131 195 R CA 1.742 57.816 56.100 -0.044 0.000 0.960 195 R CB -0.607 29.654 30.300 -0.065 0.000 0.856 195 R HN 0.711 nan 8.270 nan 0.000 0.436 196 Y N 1.230 121.314 120.300 -0.361 0.000 2.070 196 Y HA -0.287 4.263 4.550 -0.001 0.000 0.280 196 Y C 2.415 178.169 175.900 -0.243 0.000 1.148 196 Y CA 1.711 59.581 58.100 -0.384 0.000 1.125 196 Y CB -0.432 37.691 38.460 -0.561 0.000 0.975 196 Y HN 0.123 nan 8.280 nan 0.000 0.492 197 H N -0.424 118.552 119.070 -0.156 0.000 2.387 197 H HA -0.102 4.454 4.556 -0.001 0.000 0.299 197 H C 2.349 177.565 175.328 -0.188 0.000 1.090 197 H CA 1.266 57.196 56.048 -0.196 0.000 1.332 197 H CB -0.674 29.087 29.762 -0.003 0.000 1.386 197 H HN 0.528 nan 8.280 nan 0.000 0.516 198 A N 1.265 124.088 122.820 0.004 0.000 1.908 198 A HA -0.126 4.194 4.320 -0.001 0.000 0.218 198 A C 2.670 180.206 177.584 -0.080 0.000 1.181 198 A CA 1.762 53.790 52.037 -0.014 0.000 0.627 198 A CB -0.742 18.274 19.000 0.026 0.000 0.818 198 A HN 0.440 nan 8.150 nan 0.000 0.445 199 A N -1.532 121.197 122.820 -0.153 0.000 2.066 199 A HA -0.061 4.259 4.320 -0.001 0.000 0.218 199 A C 1.840 179.302 177.584 -0.202 0.000 1.157 199 A CA 1.290 53.230 52.037 -0.161 0.000 0.670 199 A CB -0.204 18.695 19.000 -0.168 0.000 0.804 199 A HN 0.462 nan 8.150 nan 0.000 0.453 200 Q N -1.326 118.294 119.800 -0.300 0.000 2.360 200 Q HA 0.215 4.554 4.340 -0.001 0.000 0.202 200 Q C 1.093 177.022 176.000 -0.118 0.000 0.915 200 Q CA 0.720 56.368 55.803 -0.258 0.000 0.943 200 Q CB 0.304 28.794 28.738 -0.413 0.000 1.064 200 Q HN 0.944 nan 8.270 nan 0.000 0.511 201 G N -0.020 108.733 108.800 -0.080 0.000 2.176 201 G HA2 -0.235 3.724 3.960 -0.001 0.000 0.232 201 G HA3 -0.235 3.724 3.960 -0.001 0.000 0.232 201 G C 0.153 175.050 174.900 -0.005 0.000 0.986 201 G CA 0.070 45.155 45.100 -0.025 0.000 0.643 201 G HN 0.205 nan 8.290 nan 0.000 0.522 202 V N 1.646 121.556 119.914 -0.008 0.000 2.521 202 V HA 0.347 4.467 4.120 -0.001 0.000 0.286 202 V C 0.549 176.631 176.094 -0.020 0.000 1.034 202 V CA 0.126 62.425 62.300 -0.002 0.000 1.045 202 V CB 1.567 33.400 31.823 0.017 0.000 0.974 202 V HN 0.356 nan 8.190 nan 0.000 0.480 203 D N 5.562 125.943 120.400 -0.033 0.000 2.422 203 D HA 0.252 4.892 4.640 -0.001 0.000 0.227 203 D C -0.275 175.967 176.300 -0.096 0.000 1.190 203 D CA -0.107 53.864 54.000 -0.048 0.000 0.905 203 D CB 0.286 41.061 40.800 -0.041 0.000 1.034 203 D HN 0.418 nan 8.370 nan 0.000 0.507 204 L N 4.541 125.693 121.223 -0.119 0.000 2.290 204 L HA 0.406 4.745 4.340 -0.001 0.000 0.284 204 L C 0.668 177.353 176.870 -0.309 0.000 1.078 204 L CA -0.614 54.057 54.840 -0.282 0.000 0.815 204 L CB 0.809 42.685 42.059 -0.306 0.000 1.162 204 L HN 0.053 nan 8.230 nan 0.000 0.435 205 R N 4.350 124.613 120.500 -0.396 0.000 2.320 205 R HA 0.438 4.778 4.340 -0.001 0.000 0.319 205 R C -1.030 175.074 176.300 -0.327 0.000 0.969 205 R CA -0.424 55.525 56.100 -0.251 0.000 0.857 205 R CB 0.850 31.070 30.300 -0.134 0.000 1.160 205 R HN 0.316 nan 8.270 nan 0.000 0.491 206 F N 0.657 120.606 119.950 -0.002 0.000 2.399 206 F HA 0.194 4.721 4.527 -0.001 0.000 0.328 206 F C 1.185 176.986 175.800 0.001 0.000 1.084 206 F CA -0.439 57.562 58.000 0.001 0.000 1.053 206 F CB 0.937 39.940 39.000 0.006 0.000 1.209 206 F HN 0.516 nan 8.300 nan 0.000 0.502 207 E N 0.857 121.189 120.200 0.220 0.000 2.360 207 E HA -0.234 4.116 4.350 -0.001 0.000 0.238 207 E C -0.714 175.925 176.600 0.065 0.000 1.186 207 E CA 0.175 56.644 56.400 0.116 0.000 0.719 207 E CB -0.747 29.013 29.700 0.100 0.000 1.236 207 E HN 0.307 nan 8.360 nan 0.000 0.386 208 R N -0.203 120.322 120.500 0.041 0.000 2.750 208 R HA 0.597 4.937 4.340 -0.001 0.000 0.281 208 R C -0.421 175.879 176.300 -0.001 0.000 0.972 208 R CA -0.790 55.317 56.100 0.011 0.000 0.912 208 R CB 2.180 32.475 30.300 -0.007 0.000 1.187 208 R HN -0.064 nan 8.270 nan 0.000 0.464 209 S N 0.187 115.885 115.700 -0.003 0.000 2.542 209 S HA 0.441 4.910 4.470 -0.001 0.000 0.293 209 S C -0.473 174.120 174.600 -0.013 0.000 1.089 209 S CA -0.728 57.467 58.200 -0.007 0.000 0.961 209 S CB 2.434 65.634 63.200 -0.001 0.000 1.062 209 S HN 0.243 nan 8.310 nan 0.000 0.483 210 V N 3.028 122.932 119.914 -0.017 0.000 2.508 210 V HA 0.182 4.301 4.120 -0.001 0.000 0.281 210 V C 1.458 177.544 176.094 -0.014 0.000 1.041 210 V CA 0.266 62.555 62.300 -0.019 0.000 1.016 210 V CB 0.659 32.468 31.823 -0.023 0.000 0.984 210 V HN 1.155 nan 8.190 nan 0.000 0.478 211 T N 0.609 115.155 114.554 -0.014 0.000 3.022 211 T HA 0.547 4.897 4.350 -0.001 0.000 0.250 211 T C 0.711 175.404 174.700 -0.012 0.000 1.060 211 T CA 0.420 62.513 62.100 -0.011 0.000 1.013 211 T CB 0.625 69.488 68.868 -0.009 0.000 0.982 211 T HN 1.198 nan 8.240 nan 0.000 0.508 212 G N 0.768 109.558 108.800 -0.015 0.000 2.344 212 G HA2 0.456 4.416 3.960 -0.001 0.000 0.282 212 G HA3 0.456 4.416 3.960 -0.001 0.000 0.282 212 G C -1.551 173.337 174.900 -0.020 0.000 1.281 212 G CA -0.266 44.824 45.100 -0.017 0.000 0.877 212 G HN 1.035 nan 8.290 nan 0.000 0.494 213 S N -1.946 113.742 115.700 -0.019 0.000 2.547 213 S HA 0.777 5.247 4.470 -0.001 0.000 0.270 213 S C -1.477 173.112 174.600 -0.018 0.000 1.150 213 S CA -0.538 57.649 58.200 -0.021 0.000 0.850 213 S CB 1.908 65.092 63.200 -0.027 0.000 1.118 213 S HN 1.691 nan 8.310 nan 0.000 0.461 214 V N 1.416 121.319 119.914 -0.018 0.000 2.612 214 V HA 0.509 4.628 4.120 -0.001 0.000 0.301 214 V C -0.704 175.381 176.094 -0.016 0.000 1.059 214 V CA -0.508 61.783 62.300 -0.015 0.000 0.886 214 V CB 1.234 33.049 31.823 -0.013 0.000 1.007 214 V HN 1.170 nan 8.190 nan 0.000 0.426 215 D N 4.196 124.587 120.400 -0.015 0.000 3.003 215 D HA -0.156 4.483 4.640 -0.001 0.000 0.223 215 D C 1.292 177.583 176.300 -0.015 0.000 1.204 215 D CA 2.143 56.135 54.000 -0.014 0.000 0.828 215 D CB -0.839 39.954 40.800 -0.011 0.000 0.918 215 D HN 1.645 nan 8.370 nan 0.000 0.401 216 G N -0.111 108.678 108.800 -0.019 0.000 2.155 216 G HA2 -0.241 3.718 3.960 -0.001 0.000 0.257 216 G HA3 -0.241 3.718 3.960 -0.001 0.000 0.257 216 G C 0.306 175.194 174.900 -0.020 0.000 0.983 216 G CA 0.425 45.514 45.100 -0.019 0.000 0.676 216 G HN 0.882 nan 8.290 nan 0.000 0.528 217 V N 0.220 120.122 119.914 -0.020 0.000 2.588 217 V HA 0.616 4.735 4.120 -0.001 0.000 0.304 217 V C 0.371 176.451 176.094 -0.023 0.000 1.042 217 V CA -0.922 61.366 62.300 -0.021 0.000 0.877 217 V CB 2.129 33.941 31.823 -0.018 0.000 0.996 217 V HN 0.262 nan 8.190 nan 0.000 0.425 218 V N 5.833 125.732 119.914 -0.025 0.000 2.509 218 V HA 0.464 4.583 4.120 -0.001 0.000 0.284 218 V C -0.043 176.037 176.094 -0.024 0.000 1.047 218 V CA -0.478 61.806 62.300 -0.026 0.000 0.952 218 V CB 1.491 33.295 31.823 -0.031 0.000 0.988 218 V HN 0.604 nan 8.190 nan 0.000 0.469 219 L N 5.181 126.391 121.223 -0.021 0.000 2.309 219 L HA 0.563 4.903 4.340 -0.001 0.000 0.282 219 L C -0.726 176.133 176.870 -0.018 0.000 1.036 219 L CA -0.615 54.215 54.840 -0.018 0.000 0.806 219 L CB 1.493 43.543 42.059 -0.015 0.000 1.220 219 L HN 0.355 nan 8.230 nan 0.000 0.429 220 L N 1.542 122.755 121.223 -0.016 0.000 2.313 220 L HA 0.319 4.659 4.340 -0.001 0.000 0.268 220 L C 0.816 177.681 176.870 -0.009 0.000 1.010 220 L CA -0.197 54.634 54.840 -0.014 0.000 0.814 220 L CB 1.288 43.337 42.059 -0.017 0.000 1.304 220 L HN 0.610 nan 8.230 nan 0.000 0.441 221 D N -1.071 119.325 120.400 -0.006 0.000 2.363 221 D HA -0.138 4.502 4.640 -0.001 0.000 0.220 221 D C 0.675 176.975 176.300 0.001 0.000 0.994 221 D CA 0.522 54.521 54.000 -0.002 0.000 0.890 221 D CB -0.272 40.529 40.800 0.001 0.000 0.906 221 D HN 0.583 nan 8.370 nan 0.000 0.530 222 D N -0.388 120.013 120.400 0.001 0.000 2.340 222 D HA 0.121 4.761 4.640 -0.001 0.000 0.220 222 D C 1.596 177.896 176.300 -0.000 0.000 1.039 222 D CA 0.472 54.474 54.000 0.003 0.000 0.866 222 D CB -0.486 40.317 40.800 0.005 0.000 0.913 222 D HN 0.292 nan 8.370 nan 0.000 0.523 223 G N 0.111 108.909 108.800 -0.003 0.000 2.137 223 G HA2 -0.239 3.721 3.960 -0.001 0.000 0.237 223 G HA3 -0.239 3.721 3.960 -0.001 0.000 0.237 223 G C 0.379 175.275 174.900 -0.006 0.000 1.002 223 G CA 0.610 45.707 45.100 -0.004 0.000 0.702 223 G HN 0.817 nan 8.290 nan 0.000 0.515 224 T N -2.776 111.773 114.554 -0.008 0.000 2.919 224 T HA 0.846 5.196 4.350 -0.001 0.000 0.282 224 T C 0.005 174.697 174.700 -0.014 0.000 1.020 224 T CA -0.779 61.315 62.100 -0.011 0.000 0.994 224 T CB 2.193 71.054 68.868 -0.011 0.000 1.180 224 T HN 0.450 nan 8.240 nan 0.000 0.566 225 R N -0.369 120.121 120.500 -0.017 0.000 2.750 225 R HA 0.729 5.069 4.340 -0.001 0.000 0.281 225 R C -1.077 175.209 176.300 -0.023 0.000 0.972 225 R CA -0.792 55.297 56.100 -0.019 0.000 0.912 225 R CB 2.019 32.309 30.300 -0.018 0.000 1.187 225 R HN 0.600 nan 8.270 nan 0.000 0.464 226 I N 1.706 122.260 120.570 -0.026 0.000 2.468 226 I HA 0.367 4.536 4.170 -0.001 0.000 0.285 226 I C -0.387 175.714 176.117 -0.027 0.000 1.039 226 I CA -0.773 60.510 61.300 -0.029 0.000 1.074 226 I CB 2.094 40.074 38.000 -0.034 0.000 1.228 226 I HN 0.664 nan 8.210 nan 0.000 0.436 227 A N 5.256 128.060 122.820 -0.026 0.000 2.363 227 A HA 0.886 5.205 4.320 -0.001 0.000 0.270 227 A C -0.145 177.427 177.584 -0.019 0.000 1.121 227 A CA -0.120 51.903 52.037 -0.022 0.000 0.800 227 A CB 0.697 19.683 19.000 -0.022 0.000 1.052 227 A HN 0.860 nan 8.150 nan 0.000 0.493 228 A N 1.649 124.460 122.820 -0.015 0.000 2.574 228 A HA 0.617 4.936 4.320 -0.001 0.000 0.297 228 A C -0.228 177.353 177.584 -0.006 0.000 1.062 228 A CA -0.535 51.496 52.037 -0.009 0.000 0.686 228 A CB 0.940 19.931 19.000 -0.015 0.000 1.285 228 A HN 0.642 nan 8.150 nan 0.000 0.403 229 D N 0.426 120.829 120.400 0.005 0.000 2.333 229 D HA 0.125 4.765 4.640 -0.001 0.000 0.208 229 D C 0.226 176.527 176.300 0.002 0.000 0.984 229 D CA 1.308 55.312 54.000 0.007 0.000 0.873 229 D CB 0.394 41.206 40.800 0.020 0.000 0.935 229 D HN 0.556 nan 8.370 nan 0.000 0.521 230 M N 0.534 120.133 119.600 -0.002 0.000 2.426 230 M HA 0.211 4.691 4.480 -0.001 0.000 0.289 230 M C -2.279 174.007 176.300 -0.023 0.000 1.168 230 M CA -0.491 54.802 55.300 -0.013 0.000 0.933 230 M CB 2.549 35.176 32.600 0.044 0.000 1.750 230 M HN -0.419 nan 8.290 nan 0.000 0.494 231 V N 4.142 124.019 119.914 -0.062 0.000 2.459 231 V HA 0.586 4.705 4.120 -0.001 0.000 0.295 231 V C -0.670 175.404 176.094 -0.033 0.000 1.029 231 V CA -0.727 61.544 62.300 -0.049 0.000 0.874 231 V CB 1.657 33.442 31.823 -0.064 0.000 0.985 231 V HN 0.641 nan 8.190 nan 0.000 0.438 232 V N 5.509 125.424 119.914 0.002 0.000 2.384 232 V HA 0.378 4.498 4.120 -0.001 0.000 0.287 232 V C -0.065 176.030 176.094 0.002 0.000 1.020 232 V CA -0.570 61.747 62.300 0.029 0.000 0.850 232 V CB 1.879 33.731 31.823 0.049 0.000 0.987 232 V HN 0.632 nan 8.190 nan 0.000 0.436 233 V N 4.199 124.116 119.914 0.005 0.000 2.406 233 V HA 0.653 4.772 4.120 -0.001 0.000 0.272 233 V C 0.881 176.972 176.094 -0.006 0.000 1.043 233 V CA 0.117 62.411 62.300 -0.008 0.000 0.915 233 V CB 1.402 33.218 31.823 -0.011 0.000 0.988 233 V HN 0.992 nan 8.190 nan 0.000 0.466 234 G N 4.792 113.582 108.800 -0.018 0.000 4.332 234 G HA2 0.416 4.376 3.960 -0.001 0.000 0.321 234 G HA3 0.416 4.376 3.960 -0.001 0.000 0.321 234 G C 0.146 175.029 174.900 -0.029 0.000 1.439 234 G CA -0.250 44.836 45.100 -0.023 0.000 0.900 234 G HN 0.853 nan 8.290 nan 0.000 0.515 235 I N -0.899 119.656 120.570 -0.025 0.000 3.891 235 I HA 0.612 4.781 4.170 -0.001 0.000 0.331 235 I C 0.726 176.827 176.117 -0.026 0.000 1.406 235 I CA -0.106 61.180 61.300 -0.024 0.000 1.139 235 I CB 0.139 38.128 38.000 -0.019 0.000 1.056 235 I HN 0.463 nan 8.210 nan 0.000 0.399 236 G N 1.193 109.973 108.800 -0.033 0.000 2.384 236 G HA2 0.142 4.102 3.960 -0.001 0.000 0.668 236 G HA3 0.142 4.102 3.960 -0.001 0.000 0.668 236 G C -0.875 174.004 174.900 -0.036 0.000 1.280 236 G CA -0.434 44.643 45.100 -0.039 0.000 0.992 236 G HN 0.768 nan 8.290 nan 0.000 0.512 237 V N -2.365 117.525 119.914 -0.041 0.000 3.074 237 V HA 0.946 5.066 4.120 -0.001 0.000 0.314 237 V C -0.027 176.044 176.094 -0.038 0.000 1.117 237 V CA -1.291 60.985 62.300 -0.039 0.000 1.014 237 V CB 1.936 33.731 31.823 -0.047 0.000 1.057 237 V HN 1.090 nan 8.190 nan 0.000 0.438 238 L N 2.055 123.257 121.223 -0.035 0.000 2.365 238 L HA 0.824 5.164 4.340 -0.001 0.000 0.273 238 L C 0.638 177.481 176.870 -0.044 0.000 1.000 238 L CA -0.853 53.965 54.840 -0.037 0.000 0.819 238 L CB 1.893 43.935 42.059 -0.029 0.000 1.284 238 L HN 1.047 nan 8.230 nan 0.000 0.418 239 A N 2.266 125.054 122.820 -0.054 0.000 2.540 239 A HA 0.042 4.362 4.320 -0.001 0.000 0.239 239 A C 0.199 177.754 177.584 -0.048 0.000 1.061 239 A CA 0.114 52.114 52.037 -0.062 0.000 0.758 239 A CB -0.379 18.572 19.000 -0.082 0.000 0.991 239 A HN 0.882 nan 8.150 nan 0.000 0.502 240 N N 1.502 120.175 118.700 -0.045 0.000 3.178 240 N HA 0.142 4.882 4.740 -0.001 0.000 0.300 240 N C -0.477 175.016 175.510 -0.027 0.000 1.242 240 N CA 0.057 53.088 53.050 -0.032 0.000 1.192 240 N CB 0.317 38.786 38.487 -0.030 0.000 1.463 240 N HN 0.692 nan 8.380 nan 0.000 0.539 241 D N -0.424 119.959 120.400 -0.027 0.000 2.424 241 D HA 0.099 4.738 4.640 -0.001 0.000 0.220 241 D C 1.300 177.600 176.300 0.001 0.000 1.150 241 D CA -0.413 53.577 54.000 -0.017 0.000 0.831 241 D CB 0.027 40.802 40.800 -0.041 0.000 0.981 241 D HN 0.205 nan 8.370 nan 0.000 0.500 242 A N 0.486 123.307 122.820 0.001 0.000 1.908 242 A HA -0.114 4.206 4.320 -0.001 0.000 0.218 242 A C 1.944 179.528 177.584 0.001 0.000 1.181 242 A CA 0.976 53.012 52.037 -0.003 0.000 0.627 242 A CB -0.551 18.446 19.000 -0.004 0.000 0.818 242 A HN 0.274 nan 8.150 nan 0.000 0.445 243 L N -0.523 120.724 121.223 0.039 0.000 2.056 243 L HA -0.084 4.255 4.340 -0.001 0.000 0.207 243 L C 2.978 179.866 176.870 0.031 0.000 1.078 243 L CA 1.796 56.670 54.840 0.056 0.000 0.749 243 L CB -0.847 41.343 42.059 0.219 0.000 0.901 243 L HN 0.388 nan 8.230 nan 0.000 0.433 244 A N -0.553 122.358 122.820 0.153 0.000 1.877 244 A HA -0.214 4.106 4.320 -0.001 0.000 0.216 244 A C 2.446 180.040 177.584 0.016 0.000 1.186 244 A CA 1.575 53.705 52.037 0.155 0.000 0.620 244 A CB -0.453 18.625 19.000 0.130 0.000 0.822 244 A HN 0.351 nan 8.150 nan 0.000 0.443 245 R N -0.555 119.942 120.500 -0.004 0.000 2.083 245 R HA -0.121 4.219 4.340 -0.001 0.000 0.237 245 R C 2.433 178.697 176.300 -0.060 0.000 1.137 245 R CA 1.341 57.429 56.100 -0.020 0.000 0.951 245 R CB -0.501 29.789 30.300 -0.016 0.000 0.851 245 R HN 0.512 nan 8.270 nan 0.000 0.434 246 A N 0.964 123.726 122.820 -0.096 0.000 1.969 246 A HA 0.005 4.325 4.320 -0.001 0.000 0.218 246 A C 2.145 179.611 177.584 -0.197 0.000 1.169 246 A CA 1.464 53.424 52.037 -0.129 0.000 0.635 246 A CB -0.263 18.657 19.000 -0.132 0.000 0.810 246 A HN 0.385 nan 8.150 nan 0.000 0.445 247 A N -2.001 120.634 122.820 -0.309 0.000 2.251 247 A HA 0.432 4.752 4.320 -0.001 0.000 0.209 247 A C 1.640 179.115 177.584 -0.182 0.000 1.187 247 A CA 1.142 52.932 52.037 -0.411 0.000 0.823 247 A CB -0.651 17.717 19.000 -1.053 0.000 0.846 247 A HN 1.807 nan 8.150 nan 0.000 0.486 248 G N -1.614 107.127 108.800 -0.099 0.000 2.144 248 G HA2 -0.140 3.820 3.960 -0.001 0.000 0.218 248 G HA3 -0.140 3.820 3.960 -0.001 0.000 0.218 248 G C -0.171 174.733 174.900 0.006 0.000 0.988 248 G CA 0.050 45.127 45.100 -0.037 0.000 0.659 248 G HN 0.296 nan 8.290 nan 0.000 0.522 249 L N 1.133 122.375 121.223 0.032 0.000 2.436 249 L HA 0.702 5.042 4.340 -0.001 0.000 0.265 249 L C 1.232 178.152 176.870 0.083 0.000 1.168 249 L CA 0.372 55.255 54.840 0.072 0.000 0.815 249 L CB 0.861 42.986 42.059 0.111 0.000 1.109 249 L HN 0.526 nan 8.230 nan 0.000 0.462 250 A N 1.954 124.844 122.820 0.117 0.000 2.451 250 A HA 0.466 4.786 4.320 -0.001 0.000 0.266 250 A C -0.455 177.326 177.584 0.328 0.000 1.119 250 A CA -0.147 52.013 52.037 0.205 0.000 0.786 250 A CB -0.546 18.556 19.000 0.170 0.000 1.061 250 A HN 0.731 nan 8.150 nan 0.000 0.503 251 C N 1.615 121.067 119.300 0.252 0.000 2.985 251 C HA 0.748 5.207 4.460 -0.001 0.000 0.314 251 C C -0.731 174.292 174.990 0.056 0.000 1.215 251 C CA -0.579 58.458 59.018 0.033 0.000 1.414 251 C CB 2.102 29.834 27.740 -0.013 0.000 1.842 251 C HN 0.909 nan 8.230 nan 0.000 0.477 252 D N 1.595 121.893 120.400 -0.169 0.000 2.445 252 D HA 0.255 4.894 4.640 -0.001 0.000 0.236 252 D C -0.479 175.744 176.300 -0.129 0.000 1.315 252 D CA 0.172 54.147 54.000 -0.042 0.000 0.924 252 D CB 0.300 41.201 40.800 0.168 0.000 1.447 252 D HN 0.730 nan 8.370 nan 0.000 0.532 253 D N 2.645 122.991 120.400 -0.090 0.000 2.735 253 D HA 0.006 4.646 4.640 -0.001 0.000 0.235 253 D C -0.036 176.174 176.300 -0.149 0.000 1.175 253 D CA 2.298 56.244 54.000 -0.091 0.000 0.683 253 D CB -1.037 39.729 40.800 -0.057 0.000 1.008 253 D HN 0.884 nan 8.370 nan 0.000 0.416 254 G N -0.100 108.588 108.800 -0.186 0.000 2.435 254 G HA2 0.158 4.117 3.960 -0.001 0.000 0.603 254 G HA3 0.158 4.117 3.960 -0.001 0.000 0.603 254 G C -0.354 174.337 174.900 -0.348 0.000 1.496 254 G CA -0.518 44.443 45.100 -0.233 0.000 0.896 254 G HN 0.442 nan 8.290 nan 0.000 0.657 255 I N 1.497 121.929 120.570 -0.229 0.000 2.352 255 I HA 0.319 4.489 4.170 -0.001 0.000 0.290 255 I C 0.293 176.323 176.117 -0.144 0.000 1.036 255 I CA -0.422 60.782 61.300 -0.160 0.000 1.336 255 I CB 0.550 38.516 38.000 -0.057 0.000 1.407 255 I HN 0.336 nan 8.210 nan 0.000 0.497 256 F N 6.552 126.540 119.950 0.063 0.000 2.504 256 F HA 0.299 4.825 4.527 -0.001 0.000 0.369 256 F C 0.540 176.414 175.800 0.124 0.000 1.082 256 F CA -0.243 57.833 58.000 0.127 0.000 1.216 256 F CB 0.683 39.695 39.000 0.020 0.000 1.108 256 F HN 0.213 nan 8.300 nan 0.000 0.554 257 V N 0.044 120.187 119.914 0.382 0.000 2.962 257 V HA 0.658 4.777 4.120 -0.001 0.000 0.313 257 V C -0.823 175.443 176.094 0.286 0.000 1.099 257 V CA -1.145 61.293 62.300 0.231 0.000 0.971 257 V CB 1.865 33.753 31.823 0.109 0.000 1.028 257 V HN 0.633 nan 8.190 nan 0.000 0.430 258 D N 2.729 123.229 120.400 0.167 0.000 2.511 258 D HA 0.590 5.229 4.640 -0.001 0.000 0.276 258 D C 1.107 177.409 176.300 0.002 0.000 1.220 258 D CA -0.039 54.020 54.000 0.100 0.000 1.077 258 D CB 0.941 41.748 40.800 0.011 0.000 1.126 258 D HN 0.825 nan 8.370 nan 0.000 0.583 259 A N -1.515 121.211 122.820 -0.157 0.000 2.209 259 A HA -0.033 4.286 4.320 -0.001 0.000 0.212 259 A C 1.336 178.876 177.584 -0.073 0.000 1.158 259 A CA 0.546 52.501 52.037 -0.138 0.000 0.742 259 A CB -1.042 17.812 19.000 -0.243 0.000 0.790 259 A HN 0.598 nan 8.150 nan 0.000 0.472 260 Y N -1.521 118.797 120.300 0.028 0.000 2.457 260 Y HA 0.318 4.868 4.550 -0.001 0.000 0.263 260 Y C 1.869 177.911 175.900 0.236 0.000 1.164 260 Y CA 0.068 58.196 58.100 0.046 0.000 1.274 260 Y CB 0.404 38.875 38.460 0.019 0.000 1.097 260 Y HN 0.437 nan 8.280 nan 0.000 0.523 261 G N 1.274 110.238 108.800 0.274 0.000 2.159 261 G HA2 -0.292 3.668 3.960 -0.001 0.000 0.256 261 G HA3 -0.292 3.668 3.960 -0.001 0.000 0.256 261 G C 0.166 175.154 174.900 0.147 0.000 0.977 261 G CA -0.419 44.826 45.100 0.243 0.000 0.652 261 G HN 0.316 nan 8.290 nan 0.000 0.531 262 R N 1.371 121.880 120.500 0.016 0.000 2.491 262 R HA 0.454 4.794 4.340 -0.001 0.000 0.283 262 R C 1.330 177.545 176.300 -0.142 0.000 1.072 262 R CA 0.638 56.545 56.100 -0.321 0.000 1.048 262 R CB 0.489 30.680 30.300 -0.182 0.000 0.983 262 R HN 0.457 nan 8.270 nan 0.000 0.450 263 T N -2.057 112.384 114.554 -0.189 0.000 2.867 263 T HA 0.062 4.411 4.350 -0.001 0.000 0.286 263 T C 1.520 176.200 174.700 -0.034 0.000 1.022 263 T CA -0.277 61.793 62.100 -0.050 0.000 0.933 263 T CB 1.061 69.907 68.868 -0.036 0.000 1.280 263 T HN 0.655 nan 8.240 nan 0.000 0.566 264 T N -2.554 112.009 114.554 0.016 0.000 3.160 264 T HA 0.080 4.430 4.350 -0.001 0.000 0.257 264 T C 0.839 175.545 174.700 0.009 0.000 1.147 264 T CA -0.235 61.871 62.100 0.009 0.000 1.064 264 T CB -1.070 67.809 68.868 0.018 0.000 0.949 264 T HN 0.688 nan 8.240 nan 0.000 0.526 265 C N 3.378 122.684 119.300 0.011 0.000 2.273 265 C HA 0.604 5.064 4.460 -0.001 0.000 0.328 265 C C -2.571 172.425 174.990 0.009 0.000 1.275 265 C CA -2.652 56.387 59.018 0.035 0.000 1.704 265 C CB 0.256 28.055 27.740 0.097 0.000 2.326 265 C HN 0.278 nan 8.230 nan 0.000 0.517 266 P HA 0.175 nan 4.420 nan 0.000 0.266 266 P C 0.043 177.403 177.300 0.101 0.000 1.195 266 P CA 1.047 64.177 63.100 0.050 0.000 0.768 266 P CB 0.333 32.084 31.700 0.084 0.000 0.838 267 D N -1.074 119.403 120.400 0.128 0.000 3.079 267 D HA -0.124 4.515 4.640 -0.001 0.000 0.214 267 D C -0.518 175.900 176.300 0.196 0.000 1.145 267 D CA 0.846 55.006 54.000 0.266 0.000 0.958 267 D CB -1.567 39.486 40.800 0.421 0.000 1.117 267 D HN 0.132 nan 8.370 nan 0.000 0.416 268 V N 1.015 120.924 119.914 -0.009 0.000 2.444 268 V HA 0.481 4.600 4.120 -0.001 0.000 0.294 268 V C -0.157 175.799 176.094 -0.230 0.000 1.022 268 V CA -0.729 61.498 62.300 -0.122 0.000 0.850 268 V CB 1.511 33.231 31.823 -0.171 0.000 0.992 268 V HN -0.043 nan 8.190 nan 0.000 0.426 269 Y N 2.114 122.306 120.300 -0.180 0.000 2.587 269 Y HA 0.879 5.429 4.550 -0.001 0.000 0.337 269 Y C 0.379 176.153 175.900 -0.210 0.000 1.065 269 Y CA -0.690 57.322 58.100 -0.148 0.000 1.126 269 Y CB 2.197 40.560 38.460 -0.162 0.000 1.279 269 Y HN 0.747 nan 8.280 nan 0.000 0.489 270 A N 1.536 124.344 122.820 -0.021 0.000 2.572 270 A HA 0.910 5.230 4.320 -0.001 0.000 0.295 270 A C -2.021 175.498 177.584 -0.107 0.000 1.072 270 A CA -0.679 51.295 52.037 -0.104 0.000 0.691 270 A CB 1.320 20.269 19.000 -0.085 0.000 1.291 270 A HN 0.725 nan 8.150 nan 0.000 0.404 271 L N -1.163 119.962 121.223 -0.163 0.000 2.540 271 L HA 1.002 5.341 4.340 -0.001 0.000 0.256 271 L C 0.457 177.230 176.870 -0.163 0.000 1.001 271 L CA 0.170 54.910 54.840 -0.166 0.000 0.843 271 L CB 1.068 43.006 42.059 -0.202 0.000 1.436 271 L HN 2.513 nan 8.230 nan 0.000 0.410 272 G N 0.537 109.238 108.800 -0.164 0.000 2.542 272 G HA2 -0.233 3.727 3.960 -0.001 0.000 0.235 272 G HA3 -0.233 3.727 3.960 -0.001 0.000 0.235 272 G C 0.100 174.926 174.900 -0.123 0.000 1.286 272 G CA 0.517 45.525 45.100 -0.152 0.000 0.904 272 G HN 0.866 nan 8.290 nan 0.000 0.577 273 D N -0.559 119.772 120.400 -0.116 0.000 2.263 273 D HA 0.002 4.642 4.640 -0.001 0.000 0.208 273 D C 2.393 178.636 176.300 -0.094 0.000 0.971 273 D CA 1.265 55.206 54.000 -0.099 0.000 0.867 273 D CB -0.072 40.672 40.800 -0.093 0.000 0.929 273 D HN 0.475 nan 8.370 nan 0.000 0.492 274 V N 0.528 120.383 119.914 -0.098 0.000 3.141 274 V HA -0.050 4.069 4.120 -0.001 0.000 0.265 274 V C 0.807 176.839 176.094 -0.104 0.000 1.126 274 V CA 1.278 63.521 62.300 -0.094 0.000 1.141 274 V CB -0.436 31.334 31.823 -0.090 0.000 0.743 274 V HN 0.294 nan 8.190 nan 0.000 0.492 275 T N -0.740 113.754 114.554 -0.100 0.000 2.907 275 T HA 0.469 4.818 4.350 -0.001 0.000 0.284 275 T C -0.224 174.418 174.700 -0.096 0.000 1.004 275 T CA -0.725 61.320 62.100 -0.092 0.000 1.063 275 T CB 1.639 70.468 68.868 -0.065 0.000 0.992 275 T HN 0.382 nan 8.240 nan 0.000 0.483 276 R N 1.962 122.401 120.500 -0.101 0.000 2.343 276 R HA 0.434 4.774 4.340 -0.001 0.000 0.320 276 R C -0.370 176.008 176.300 0.131 0.000 0.956 276 R CA -0.516 55.566 56.100 -0.031 0.000 0.836 276 R CB 0.765 30.920 30.300 -0.241 0.000 1.151 276 R HN 0.945 nan 8.270 nan 0.000 0.450 277 Q N 2.766 122.478 119.800 -0.147 0.000 2.501 277 Q HA 0.378 4.717 4.340 -0.001 0.000 0.288 277 Q C -1.205 174.128 176.000 -1.112 0.000 1.051 277 Q CA -1.263 54.176 55.803 -0.607 0.000 0.788 277 Q CB 1.699 30.301 28.738 -0.226 0.000 1.469 277 Q HN 0.435 nan 8.270 nan 0.000 0.416 278 R N 1.472 121.164 120.500 -1.347 0.000 2.401 278 R HA 0.112 4.452 4.340 -0.001 0.000 0.299 278 R C -0.742 175.361 176.300 -0.330 0.000 1.064 278 R CA -0.193 55.415 56.100 -0.821 0.000 1.000 278 R CB 0.488 30.518 30.300 -0.449 0.000 0.973 278 R HN 0.658 nan 8.270 nan 0.000 0.438 279 N N 6.423 125.011 118.700 -0.186 0.000 2.437 279 N HA 0.138 4.878 4.740 -0.001 0.000 0.243 279 N C -1.952 173.523 175.510 -0.059 0.000 1.041 279 N CA -2.363 50.636 53.050 -0.085 0.000 0.940 279 N CB 1.525 39.995 38.487 -0.027 0.000 1.133 279 N HN 0.435 nan 8.380 nan 0.000 0.506 280 P HA -0.083 nan 4.420 nan 0.000 0.223 280 P C 1.559 178.847 177.300 -0.021 0.000 1.151 280 P CA 0.703 63.773 63.100 -0.050 0.000 0.787 280 P CB 0.696 32.351 31.700 -0.074 0.000 0.788 281 L N 0.330 121.546 121.223 -0.011 0.000 2.027 281 L HA -0.124 4.215 4.340 -0.001 0.000 0.206 281 L C 2.700 179.580 176.870 0.016 0.000 1.074 281 L CA 2.238 57.081 54.840 0.006 0.000 0.745 281 L CB -0.835 41.236 42.059 0.020 0.000 0.898 281 L HN 0.108 nan 8.230 nan 0.000 0.433 282 S N -1.203 114.510 115.700 0.022 0.000 2.478 282 S HA 0.078 4.548 4.470 -0.001 0.000 0.222 282 S C 1.617 176.238 174.600 0.035 0.000 1.008 282 S CA 0.453 58.672 58.200 0.032 0.000 0.928 282 S CB 0.366 63.591 63.200 0.041 0.000 0.781 282 S HN 0.533 nan 8.310 nan 0.000 0.518 283 G N 1.563 110.380 108.800 0.029 0.000 2.168 283 G HA2 -0.229 3.731 3.960 -0.001 0.000 0.263 283 G HA3 -0.229 3.731 3.960 -0.001 0.000 0.263 283 G C 0.067 175.020 174.900 0.089 0.000 0.977 283 G CA 0.234 45.360 45.100 0.044 0.000 0.659 283 G HN 0.542 nan 8.290 nan 0.000 0.533 284 R N -0.905 119.650 120.500 0.092 0.000 2.787 284 R HA 0.687 5.027 4.340 -0.001 0.000 0.271 284 R C -0.333 176.084 176.300 0.196 0.000 0.993 284 R CA -1.260 54.938 56.100 0.163 0.000 0.993 284 R CB 0.485 30.858 30.300 0.122 0.000 1.155 284 R HN 0.032 nan 8.270 nan 0.000 0.486 285 F N 0.934 120.927 119.950 0.071 0.000 2.429 285 F HA 0.246 4.773 4.527 -0.001 0.000 0.348 285 F C 0.917 176.770 175.800 0.089 0.000 1.109 285 F CA 0.330 58.393 58.000 0.106 0.000 1.232 285 F CB 0.761 39.877 39.000 0.194 0.000 1.157 285 F HN 0.394 nan 8.300 nan 0.000 0.564 286 E N 2.657 122.921 120.200 0.106 0.000 2.372 286 E HA 0.288 4.638 4.350 -0.001 0.000 0.279 286 E C -1.371 175.232 176.600 0.005 0.000 0.946 286 E CA -1.017 55.416 56.400 0.055 0.000 0.769 286 E CB 1.511 31.223 29.700 0.021 0.000 1.230 286 E HN 0.610 nan 8.360 nan 0.000 0.442 287 R N 4.791 125.286 120.500 -0.007 0.000 2.210 287 R HA 0.345 4.684 4.340 -0.001 0.000 0.338 287 R C -0.645 175.630 176.300 -0.042 0.000 1.062 287 R CA -0.214 55.860 56.100 -0.043 0.000 0.902 287 R CB 0.207 30.470 30.300 -0.061 0.000 1.050 287 R HN 0.436 nan 8.270 nan 0.000 0.461 288 I N 4.281 124.825 120.570 -0.044 0.000 2.365 288 I HA 0.095 4.264 4.170 -0.001 0.000 0.291 288 I C 0.578 176.659 176.117 -0.061 0.000 1.004 288 I CA 0.034 61.313 61.300 -0.035 0.000 1.311 288 I CB 1.744 39.742 38.000 -0.002 0.000 1.401 288 I HN 0.688 nan 8.210 nan 0.000 0.491 289 E N 3.183 123.334 120.200 -0.082 0.000 2.558 289 E HA 0.060 4.409 4.350 -0.001 0.000 0.205 289 E C -0.015 176.514 176.600 -0.118 0.000 1.006 289 E CA -0.167 56.170 56.400 -0.104 0.000 0.961 289 E CB 0.612 30.238 29.700 -0.123 0.000 1.044 289 E HN 0.740 nan 8.360 nan 0.000 0.465 290 T N -2.876 111.620 114.554 -0.098 0.000 2.913 290 T HA 0.065 4.415 4.350 -0.001 0.000 0.287 290 T C 0.582 175.274 174.700 -0.013 0.000 1.008 290 T CA -0.768 61.278 62.100 -0.089 0.000 1.067 290 T CB 1.461 70.285 68.868 -0.074 0.000 0.996 290 T HN 0.299 nan 8.240 nan 0.000 0.513 291 W N 1.801 123.004 121.300 -0.162 0.000 2.358 291 W HA -0.163 4.497 4.660 -0.000 0.000 0.303 291 W C 2.626 179.121 176.519 -0.039 0.000 1.208 291 W CA 2.140 59.468 57.345 -0.027 0.000 1.274 291 W CB -0.403 29.175 29.460 0.196 0.000 1.138 291 W HN 0.896 nan 8.180 nan 0.000 0.515 292 S N -0.104 115.731 115.700 0.225 0.000 2.383 292 S HA -0.318 4.151 4.470 -0.001 0.000 0.229 292 S C 1.643 176.223 174.600 -0.033 0.000 1.030 292 S CA 1.632 59.852 58.200 0.033 0.000 1.002 292 S CB -1.154 61.697 63.200 -0.581 0.000 0.829 292 S HN 0.529 nan 8.310 nan 0.000 0.467 293 N N 2.420 121.089 118.700 -0.052 0.000 2.142 293 N HA 0.005 4.744 4.740 -0.001 0.000 0.186 293 N C 1.856 177.270 175.510 -0.160 0.000 1.023 293 N CA 1.564 54.601 53.050 -0.023 0.000 0.852 293 N CB -0.774 37.711 38.487 -0.004 0.000 0.998 293 N HN 0.492 nan 8.380 nan 0.000 0.424 294 A N 0.319 123.018 122.820 -0.202 0.000 1.883 294 A HA -0.258 4.061 4.320 -0.001 0.000 0.217 294 A C 2.200 179.605 177.584 -0.298 0.000 1.186 294 A CA 1.883 53.766 52.037 -0.256 0.000 0.624 294 A CB -1.040 17.787 19.000 -0.288 0.000 0.822 294 A HN 0.619 nan 8.150 nan 0.000 0.444 295 Q N -0.744 118.815 119.800 -0.402 0.000 2.016 295 Q HA -0.184 4.155 4.340 -0.001 0.000 0.200 295 Q C 1.718 177.613 176.000 -0.175 0.000 0.978 295 Q CA 1.701 57.291 55.803 -0.355 0.000 0.833 295 Q CB -0.155 28.252 28.738 -0.552 0.000 0.895 295 Q HN 0.653 nan 8.270 nan 0.000 0.427 296 N N 0.292 118.929 118.700 -0.104 0.000 2.250 296 N HA -0.148 4.592 4.740 -0.001 0.000 0.181 296 N C 1.580 176.951 175.510 -0.232 0.000 1.017 296 N CA 0.952 54.011 53.050 0.015 0.000 0.866 296 N CB -0.229 38.426 38.487 0.281 0.000 0.985 296 N HN 0.374 nan 8.380 nan 0.000 0.429 297 Q N 0.534 119.963 119.800 -0.617 0.000 2.119 297 Q HA -0.052 4.287 4.340 -0.001 0.000 0.201 297 Q C 1.875 177.650 176.000 -0.376 0.000 0.972 297 Q CA 1.502 56.693 55.803 -1.020 0.000 0.847 297 Q CB -0.237 27.955 28.738 -0.911 0.000 0.903 297 Q HN 0.337 nan 8.270 nan 0.000 0.433 298 G N 1.198 109.875 108.800 -0.206 0.000 2.421 298 G HA2 -0.246 3.714 3.960 -0.001 0.000 0.216 298 G HA3 -0.246 3.714 3.960 -0.001 0.000 0.216 298 G C 1.409 176.360 174.900 0.086 0.000 1.171 298 G CA 0.911 46.008 45.100 -0.004 0.000 0.775 298 G HN 0.354 nan 8.290 nan 0.000 0.543 299 I N 1.354 121.923 120.570 -0.001 0.000 2.179 299 I HA -0.170 4.000 4.170 -0.001 0.000 0.242 299 I C 3.291 179.436 176.117 0.048 0.000 1.088 299 I CA 1.028 62.337 61.300 0.016 0.000 1.357 299 I CB -0.205 37.808 38.000 0.022 0.000 1.051 299 I HN 0.248 nan 8.210 nan 0.000 0.409 300 A N 0.266 123.120 122.820 0.057 0.000 1.933 300 A HA -0.130 4.189 4.320 -0.001 0.000 0.218 300 A C 2.424 180.108 177.584 0.165 0.000 1.175 300 A CA 1.574 53.696 52.037 0.142 0.000 0.628 300 A CB -0.870 18.286 19.000 0.259 0.000 0.814 300 A HN 0.241 nan 8.150 nan 0.000 0.444 301 V N -0.157 119.844 119.914 0.145 0.000 2.307 301 V HA -0.230 3.890 4.120 -0.001 0.000 0.245 301 V C 3.070 179.297 176.094 0.222 0.000 1.045 301 V CA 1.870 64.304 62.300 0.223 0.000 1.024 301 V CB -1.248 30.689 31.823 0.190 0.000 0.651 301 V HN 0.612 nan 8.190 nan 0.000 0.449 302 A N 0.536 123.464 122.820 0.181 0.000 1.883 302 A HA -0.299 4.021 4.320 -0.001 0.000 0.217 302 A C 2.302 179.818 177.584 -0.114 0.000 1.186 302 A CA 2.405 54.336 52.037 -0.176 0.000 0.624 302 A CB -0.586 18.095 19.000 -0.532 0.000 0.822 302 A HN 0.471 nan 8.150 nan 0.000 0.444 303 R N -0.514 119.976 120.500 -0.017 0.000 2.091 303 R HA -0.180 4.160 4.340 -0.001 0.000 0.238 303 R C 2.159 178.474 176.300 0.025 0.000 1.136 303 R CA 2.288 58.391 56.100 0.005 0.000 0.959 303 R CB -0.980 29.353 30.300 0.055 0.000 0.856 303 R HN 0.778 nan 8.270 nan 0.000 0.437 304 H N -0.128 118.942 119.070 -0.001 0.000 2.462 304 H HA -0.002 4.554 4.556 -0.001 0.000 0.292 304 H C 1.805 177.082 175.328 -0.086 0.000 1.049 304 H CA 1.481 57.515 56.048 -0.023 0.000 1.334 304 H CB 0.141 29.927 29.762 0.040 0.000 1.404 304 H HN 0.246 nan 8.280 nan 0.000 0.544 305 L N 0.142 121.276 121.223 -0.148 0.000 2.046 305 L HA -0.163 4.176 4.340 -0.001 0.000 0.208 305 L C 2.723 179.439 176.870 -0.256 0.000 1.077 305 L CA 0.955 55.642 54.840 -0.256 0.000 0.747 305 L CB -0.157 41.739 42.059 -0.271 0.000 0.896 305 L HN 0.126 nan 8.230 nan 0.000 0.432 306 V N -1.447 118.347 119.914 -0.201 0.000 2.407 306 V HA -0.123 3.996 4.120 -0.001 0.000 0.245 306 V C 0.524 176.543 176.094 -0.126 0.000 1.041 306 V CA 1.188 63.404 62.300 -0.141 0.000 1.040 306 V CB -0.250 31.517 31.823 -0.094 0.000 0.671 306 V HN 0.345 nan 8.190 nan 0.000 0.455 307 D N -0.525 119.792 120.400 -0.138 0.000 2.438 307 D HA 0.280 4.919 4.640 -0.001 0.000 0.257 307 D C -2.144 174.035 176.300 -0.202 0.000 1.148 307 D CA -2.314 51.615 54.000 -0.118 0.000 0.902 307 D CB 1.748 42.519 40.800 -0.048 0.000 1.062 307 D HN 0.075 nan 8.370 nan 0.000 0.518 308 P HA -0.097 nan 4.420 nan 0.000 0.226 308 P C 1.184 178.402 177.300 -0.137 0.000 1.146 308 P CA 1.111 63.929 63.100 -0.470 0.000 0.773 308 P CB 0.150 31.656 31.700 -0.323 0.000 0.772 309 T N -4.238 110.291 114.554 -0.042 0.000 3.088 309 T HA 0.258 4.608 4.350 -0.001 0.000 0.259 309 T C 0.967 175.727 174.700 0.100 0.000 1.122 309 T CA 0.004 62.127 62.100 0.039 0.000 1.095 309 T CB -0.615 68.266 68.868 0.021 0.000 0.930 309 T HN 0.010 nan 8.240 nan 0.000 0.508 310 A N 3.494 126.386 122.820 0.120 0.000 2.466 310 A HA 0.527 4.847 4.320 -0.001 0.000 0.238 310 A C -1.815 175.919 177.584 0.249 0.000 1.074 310 A CA -1.253 50.883 52.037 0.164 0.000 0.774 310 A CB -0.144 18.946 19.000 0.150 0.000 1.015 310 A HN 0.412 nan 8.150 nan 0.000 0.498 311 P HA 0.306 nan 4.420 nan 0.000 0.276 311 P C 0.462 177.896 177.300 0.224 0.000 1.252 311 P CA 0.042 63.258 63.100 0.192 0.000 0.802 311 P CB 0.505 32.277 31.700 0.121 0.000 1.035 312 G N -0.206 108.722 108.800 0.215 0.000 2.684 312 G HA2 0.086 4.046 3.960 -0.001 0.000 0.255 312 G HA3 0.086 4.046 3.960 -0.001 0.000 0.255 312 G C -0.868 174.122 174.900 0.151 0.000 1.219 312 G CA -0.561 44.627 45.100 0.146 0.000 0.901 312 G HN 0.541 nan 8.290 nan 0.000 0.548 313 Y N 0.086 120.400 120.300 0.022 0.000 2.717 313 Y HA 0.259 4.808 4.550 -0.001 0.000 0.330 313 Y C 1.013 176.909 175.900 -0.006 0.000 1.217 313 Y CA 0.483 58.596 58.100 0.022 0.000 1.506 313 Y CB 0.756 39.227 38.460 0.018 0.000 1.268 313 Y HN 0.447 nan 8.280 nan 0.000 0.561 314 A N 4.391 126.935 122.820 -0.460 0.000 2.701 314 A HA 0.165 4.484 4.320 -0.001 0.000 0.241 314 A C -0.021 177.313 177.584 -0.417 0.000 1.231 314 A CA -0.390 51.435 52.037 -0.354 0.000 1.003 314 A CB 0.094 19.012 19.000 -0.135 0.000 1.281 314 A HN 0.696 nan 8.150 nan 0.000 0.600 315 E N 0.553 120.349 120.200 -0.673 0.000 2.415 315 E HA 0.225 4.575 4.350 -0.001 0.000 0.262 315 E C -0.624 175.854 176.600 -0.203 0.000 1.038 315 E CA 0.228 56.441 56.400 -0.312 0.000 0.921 315 E CB 0.856 30.487 29.700 -0.114 0.000 0.950 315 E HN 0.428 nan 8.360 nan 0.000 0.438 316 L N 4.076 125.289 121.223 -0.017 0.000 2.334 316 L HA 0.304 4.643 4.340 -0.001 0.000 0.277 316 L C -1.932 175.050 176.870 0.188 0.000 1.075 316 L CA -2.090 52.775 54.840 0.042 0.000 0.804 316 L CB 0.728 42.806 42.059 0.032 0.000 1.174 316 L HN 0.218 nan 8.230 nan 0.000 0.438 317 P HA 0.108 nan 4.420 nan 0.000 0.271 317 P C -1.241 176.301 177.300 0.404 0.000 1.218 317 P CA -0.137 63.106 63.100 0.238 0.000 0.780 317 P CB 0.579 32.377 31.700 0.163 0.000 0.901 318 W N 3.007 124.463 121.300 0.260 0.000 3.248 318 W HA 0.537 5.197 4.660 -0.001 0.000 0.311 318 W C -2.462 174.314 176.519 0.429 0.000 1.258 318 W CA -1.129 56.402 57.345 0.310 0.000 1.191 318 W CB 0.253 29.898 29.460 0.308 0.000 1.389 318 W HN 0.596 nan 8.180 nan 0.000 0.561 319 Y N 0.099 120.616 120.300 0.361 0.000 2.655 319 Y HA 0.815 5.364 4.550 -0.001 0.000 0.336 319 Y C -1.354 174.757 175.900 0.353 0.000 1.154 319 Y CA -1.967 56.185 58.100 0.087 0.000 1.055 319 Y CB 0.989 39.372 38.460 -0.129 0.000 1.295 319 Y HN 0.681 nan 8.280 nan 0.000 0.465 320 W N 0.649 122.056 121.300 0.179 0.000 2.736 320 W HA 0.863 5.522 4.660 -0.001 0.000 0.355 320 W C -1.479 175.149 176.519 0.181 0.000 1.102 320 W CA -1.142 56.233 57.345 0.051 0.000 1.164 320 W CB 1.835 31.306 29.460 0.018 0.000 1.422 320 W HN 0.718 nan 8.180 nan 0.000 0.572 321 S N 1.543 117.222 115.700 -0.035 0.000 2.603 321 S HA 0.254 4.724 4.470 -0.001 0.000 0.274 321 S C -1.903 172.761 174.600 0.107 0.000 1.168 321 S CA -0.657 57.478 58.200 -0.109 0.000 0.963 321 S CB 0.696 63.907 63.200 0.019 0.000 1.078 321 S HN 0.466 nan 8.310 nan 0.000 0.477 322 D N 3.881 124.378 120.400 0.161 0.000 2.373 322 D HA 0.305 4.945 4.640 -0.001 0.000 0.227 322 D C -0.475 175.889 176.300 0.106 0.000 1.091 322 D CA -0.039 54.055 54.000 0.155 0.000 0.840 322 D CB 1.361 42.284 40.800 0.204 0.000 1.060 322 D HN 0.534 nan 8.370 nan 0.000 0.502 323 Q N 1.433 121.276 119.800 0.072 0.000 2.607 323 Q HA 0.469 4.809 4.340 -0.001 0.000 0.247 323 Q C 0.959 176.993 176.000 0.057 0.000 1.033 323 Q CA -0.740 55.133 55.803 0.117 0.000 0.769 323 Q CB 1.688 30.538 28.738 0.186 0.000 1.169 323 Q HN 0.678 nan 8.270 nan 0.000 0.508 324 G N 2.115 110.985 108.800 0.117 0.000 2.629 324 G HA2 -0.474 3.485 3.960 -0.001 0.000 0.313 324 G HA3 -0.474 3.485 3.960 -0.001 0.000 0.313 324 G C 0.835 175.759 174.900 0.041 0.000 1.217 324 G CA 0.345 45.525 45.100 0.133 0.000 0.994 324 G HN 0.697 nan 8.290 nan 0.000 0.549 325 A N -0.086 122.750 122.820 0.027 0.000 2.209 325 A HA 0.518 4.837 4.320 -0.001 0.000 0.212 325 A C 1.276 178.746 177.584 -0.191 0.000 1.158 325 A CA 1.138 53.144 52.037 -0.052 0.000 0.742 325 A CB -0.257 18.779 19.000 0.060 0.000 0.790 325 A HN 0.720 nan 8.150 nan 0.000 0.472 326 L N 0.862 121.885 121.223 -0.335 0.000 2.265 326 L HA 0.355 4.694 4.340 -0.001 0.000 0.289 326 L C -0.174 176.624 176.870 -0.120 0.000 1.033 326 L CA -0.357 54.321 54.840 -0.269 0.000 0.814 326 L CB 1.105 42.932 42.059 -0.387 0.000 1.203 326 L HN 0.209 nan 8.230 nan 0.000 0.423 327 R N 4.876 125.318 120.500 -0.098 0.000 2.233 327 R HA 0.528 4.867 4.340 -0.001 0.000 0.334 327 R C -0.736 175.503 176.300 -0.102 0.000 1.037 327 R CA -0.354 55.713 56.100 -0.054 0.000 0.920 327 R CB 0.999 31.263 30.300 -0.059 0.000 1.137 327 R HN 0.537 nan 8.270 nan 0.000 0.492 328 I N 2.714 123.249 120.570 -0.059 0.000 2.359 328 I HA 0.210 4.380 4.170 -0.001 0.000 0.294 328 I C 0.036 176.046 176.117 -0.178 0.000 0.987 328 I CA -0.460 60.766 61.300 -0.122 0.000 1.225 328 I CB 1.553 39.530 38.000 -0.037 0.000 1.366 328 I HN 0.359 nan 8.210 nan 0.000 0.466 329 Q N 5.195 124.761 119.800 -0.389 0.000 2.323 329 Q HA 0.694 5.034 4.340 -0.001 0.000 0.271 329 Q C -1.518 174.124 176.000 -0.598 0.000 1.048 329 Q CA -0.748 54.632 55.803 -0.704 0.000 0.792 329 Q CB 3.462 31.274 28.738 -1.543 0.000 1.280 329 Q HN 0.385 nan 8.270 nan 0.000 0.441 330 V N 1.075 120.729 119.914 -0.433 0.000 2.623 330 V HA 0.852 4.972 4.120 -0.001 0.000 0.304 330 V C -1.044 175.174 176.094 0.206 0.000 1.054 330 V CA -0.669 61.528 62.300 -0.172 0.000 0.882 330 V CB 1.760 33.257 31.823 -0.543 0.000 1.002 330 V HN 0.842 nan 8.190 nan 0.000 0.424 331 A N 3.089 126.124 122.820 0.359 0.000 2.386 331 A HA 1.004 5.324 4.320 -0.001 0.000 0.311 331 A C 0.484 178.179 177.584 0.186 0.000 1.068 331 A CA 0.152 52.379 52.037 0.317 0.000 0.743 331 A CB 1.516 20.586 19.000 0.117 0.000 1.258 331 A HN 2.248 nan 8.150 nan 0.000 0.429 332 G N 0.063 108.975 108.800 0.186 0.000 2.539 332 G HA2 -0.140 3.820 3.960 -0.001 0.000 0.256 332 G HA3 -0.140 3.820 3.960 -0.001 0.000 0.256 332 G C -0.125 174.850 174.900 0.124 0.000 1.233 332 G CA 0.076 45.251 45.100 0.124 0.000 0.936 332 G HN 1.252 nan 8.290 nan 0.000 0.571 333 L N 0.916 122.193 121.223 0.091 0.000 2.375 333 L HA 0.542 4.882 4.340 -0.001 0.000 0.271 333 L C 2.030 178.955 176.870 0.092 0.000 1.107 333 L CA -0.077 54.815 54.840 0.086 0.000 0.806 333 L CB 1.344 43.440 42.059 0.062 0.000 1.146 333 L HN 0.971 nan 8.230 nan 0.000 0.447 334 A N 1.739 124.616 122.820 0.096 0.000 2.066 334 A HA 0.026 4.345 4.320 -0.001 0.000 0.218 334 A C 0.883 178.513 177.584 0.078 0.000 1.157 334 A CA 1.180 53.276 52.037 0.098 0.000 0.670 334 A CB -0.190 18.871 19.000 0.102 0.000 0.804 334 A HN 0.769 nan 8.150 nan 0.000 0.453 335 S N -3.696 112.042 115.700 0.064 0.000 2.596 335 S HA 0.712 5.182 4.470 -0.001 0.000 0.270 335 S C -0.137 174.488 174.600 0.042 0.000 1.155 335 S CA -0.042 58.188 58.200 0.051 0.000 0.827 335 S CB 1.202 64.429 63.200 0.046 0.000 1.130 335 S HN 1.043 nan 8.310 nan 0.000 0.467 336 G N 0.408 109.229 108.800 0.035 0.000 3.187 336 G HA2 0.528 4.488 3.960 -0.001 0.000 0.175 336 G HA3 0.528 4.488 3.960 -0.001 0.000 0.175 336 G C -0.849 174.065 174.900 0.023 0.000 1.112 336 G CA 0.073 45.189 45.100 0.028 0.000 0.821 336 G HN 0.781 nan 8.290 nan 0.000 0.636 337 D N -0.815 119.597 120.400 0.019 0.000 2.369 337 D HA 0.203 4.842 4.640 -0.001 0.000 0.211 337 D C 0.393 176.701 176.300 0.014 0.000 1.077 337 D CA 0.066 54.075 54.000 0.015 0.000 0.842 337 D CB 0.817 41.624 40.800 0.012 0.000 0.947 337 D HN 0.550 nan 8.370 nan 0.000 0.509 338 E N -0.376 119.833 120.200 0.016 0.000 2.451 338 E HA 0.170 4.519 4.350 -0.001 0.000 0.295 338 E C -1.863 174.748 176.600 0.019 0.000 0.966 338 E CA -0.671 55.738 56.400 0.014 0.000 0.808 338 E CB 1.490 31.197 29.700 0.011 0.000 1.242 338 E HN 0.030 nan 8.360 nan 0.000 0.412 339 E N 5.419 125.630 120.200 0.018 0.000 2.176 339 E HA 0.422 4.772 4.350 -0.001 0.000 0.267 339 E C -0.897 175.713 176.600 0.017 0.000 0.893 339 E CA -0.737 55.677 56.400 0.023 0.000 0.761 339 E CB 1.155 30.872 29.700 0.028 0.000 1.133 339 E HN 0.490 nan 8.360 nan 0.000 0.409 340 I N 4.242 124.824 120.570 0.021 0.000 2.359 340 I HA 0.269 4.439 4.170 -0.001 0.000 0.294 340 I C -0.547 175.584 176.117 0.024 0.000 0.987 340 I CA -1.025 60.285 61.300 0.017 0.000 1.225 340 I CB 1.692 39.701 38.000 0.015 0.000 1.366 340 I HN 0.302 nan 8.210 nan 0.000 0.466 341 V N 7.092 127.014 119.914 0.013 0.000 2.384 341 V HA 0.403 4.522 4.120 -0.001 0.000 0.287 341 V C 0.037 176.142 176.094 0.019 0.000 1.020 341 V CA -0.709 61.600 62.300 0.016 0.000 0.850 341 V CB 1.492 33.294 31.823 -0.034 0.000 0.987 341 V HN 0.666 nan 8.190 nan 0.000 0.436 342 R N 3.544 124.073 120.500 0.049 0.000 2.229 342 R HA 0.678 5.018 4.340 -0.001 0.000 0.332 342 R C 0.496 176.832 176.300 0.061 0.000 0.989 342 R CA 0.166 56.291 56.100 0.042 0.000 0.842 342 R CB 1.556 31.881 30.300 0.040 0.000 1.119 342 R HN 1.110 nan 8.270 nan 0.000 0.456 343 G N 0.668 109.486 108.800 0.031 0.000 2.661 343 G HA2 -0.053 3.907 3.960 -0.001 0.000 0.685 343 G HA3 -0.053 3.907 3.960 -0.001 0.000 0.685 343 G C -0.733 174.159 174.900 -0.013 0.000 1.298 343 G CA -0.485 44.633 45.100 0.031 0.000 0.855 343 G HN 0.713 nan 8.290 nan 0.000 0.560 344 E N -1.080 119.106 120.200 -0.023 0.000 2.313 344 E HA 0.640 4.989 4.350 -0.001 0.000 0.272 344 E C 0.321 176.815 176.600 -0.178 0.000 1.038 344 E CA -0.046 56.305 56.400 -0.081 0.000 0.863 344 E CB 1.715 31.392 29.700 -0.039 0.000 1.060 344 E HN 1.769 nan 8.360 nan 0.000 0.402 345 V N 2.429 122.136 119.914 -0.346 0.000 2.304 345 V HA 0.564 4.684 4.120 -0.001 0.000 0.269 345 V C 0.057 175.995 176.094 -0.260 0.000 1.036 345 V CA -0.059 61.827 62.300 -0.691 0.000 0.840 345 V CB 0.372 31.635 31.823 -0.934 0.000 1.036 345 V HN 0.721 nan 8.190 nan 0.000 0.466 346 S N 3.940 119.595 115.700 -0.075 0.000 2.536 346 S HA 0.561 5.031 4.470 -0.001 0.000 0.271 346 S C 0.446 175.288 174.600 0.403 0.000 1.134 346 S CA -0.676 57.630 58.200 0.175 0.000 0.897 346 S CB 1.842 65.094 63.200 0.087 0.000 1.094 346 S HN 0.509 nan 8.310 nan 0.000 0.473 347 L N 1.604 123.052 121.223 0.375 0.000 2.291 347 L HA 0.118 4.457 4.340 -0.001 0.000 0.214 347 L C -0.027 176.977 176.870 0.222 0.000 1.120 347 L CA 0.645 55.677 54.840 0.319 0.000 0.799 347 L CB -0.204 41.961 42.059 0.177 0.000 0.925 347 L HN 0.577 nan 8.230 nan 0.000 0.446 348 D N 1.741 122.240 120.400 0.165 0.000 2.344 348 D HA 0.316 4.956 4.640 -0.001 0.000 0.253 348 D C 0.693 177.064 176.300 0.118 0.000 1.255 348 D CA 0.447 54.517 54.000 0.117 0.000 0.894 348 D CB 0.804 41.653 40.800 0.082 0.000 1.067 348 D HN 0.164 nan 8.370 nan 0.000 0.492 349 A N 3.535 126.424 122.820 0.114 0.000 2.251 349 A HA -0.153 4.166 4.320 -0.001 0.000 0.283 349 A C -2.090 175.560 177.584 0.109 0.000 1.415 349 A CA -0.652 51.442 52.037 0.094 0.000 0.742 349 A CB -1.618 17.419 19.000 0.061 0.000 1.151 349 A HN 0.340 nan 8.150 nan 0.000 0.354 350 P HA 0.327 nan 4.420 nan 0.000 0.263 350 P C -0.120 177.218 177.300 0.063 0.000 1.195 350 P CA 0.604 63.819 63.100 0.192 0.000 0.762 350 P CB 0.557 32.457 31.700 0.333 0.000 0.799 351 K N 4.585 125.029 120.400 0.073 0.000 2.635 351 K HA 0.419 4.738 4.320 -0.001 0.000 0.266 351 K C -1.602 175.050 176.600 0.087 0.000 1.033 351 K CA -0.579 55.699 56.287 -0.016 0.000 0.919 351 K CB 0.684 33.183 32.500 -0.001 0.000 1.289 351 K HN 0.430 nan 8.250 nan 0.000 0.463 352 F N -1.275 118.593 119.950 -0.136 0.000 2.773 352 F HA 0.598 5.124 4.527 -0.001 0.000 0.314 352 F C -1.429 174.316 175.800 -0.091 0.000 1.160 352 F CA -0.807 57.117 58.000 -0.127 0.000 0.920 352 F CB 1.759 40.646 39.000 -0.189 0.000 1.323 352 F HN 0.076 nan 8.300 nan 0.000 0.457 353 T N 2.483 117.135 114.554 0.163 0.000 2.886 353 T HA 0.713 5.063 4.350 -0.001 0.000 0.292 353 T C -1.044 173.759 174.700 0.172 0.000 1.012 353 T CA -0.630 61.521 62.100 0.085 0.000 0.982 353 T CB 1.684 70.580 68.868 0.048 0.000 1.018 353 T HN 0.655 nan 8.240 nan 0.000 0.451 354 L N 3.346 124.656 121.223 0.146 0.000 2.346 354 L HA 0.718 5.058 4.340 -0.001 0.000 0.274 354 L C -0.819 176.102 176.870 0.084 0.000 1.007 354 L CA -1.058 53.858 54.840 0.127 0.000 0.818 354 L CB 1.718 43.867 42.059 0.150 0.000 1.284 354 L HN 0.509 nan 8.230 nan 0.000 0.424 355 I N 1.913 122.520 120.570 0.061 0.000 2.478 355 I HA 0.296 4.466 4.170 -0.001 0.000 0.287 355 I C -0.673 175.467 176.117 0.038 0.000 1.042 355 I CA -0.644 60.682 61.300 0.043 0.000 1.067 355 I CB 2.076 40.091 38.000 0.025 0.000 1.233 355 I HN 0.493 nan 8.210 nan 0.000 0.431 356 E N 6.996 127.220 120.200 0.039 0.000 2.174 356 E HA 0.617 4.967 4.350 -0.001 0.000 0.282 356 E C -0.991 175.624 176.600 0.024 0.000 0.992 356 E CA -0.663 55.759 56.400 0.036 0.000 0.803 356 E CB 2.306 32.034 29.700 0.046 0.000 1.090 356 E HN 0.340 nan 8.360 nan 0.000 0.396 357 L N 2.110 123.345 121.223 0.020 0.000 2.354 357 L HA 0.397 4.737 4.340 -0.001 0.000 0.269 357 L C -0.333 176.545 176.870 0.014 0.000 1.005 357 L CA -0.805 54.043 54.840 0.014 0.000 0.819 357 L CB 1.763 43.827 42.059 0.009 0.000 1.311 357 L HN 0.315 nan 8.230 nan 0.000 0.423 358 Q N 2.090 121.897 119.800 0.012 0.000 2.290 358 Q HA 0.407 4.747 4.340 -0.001 0.000 0.269 358 Q C -0.970 175.035 176.000 0.008 0.000 1.016 358 Q CA -0.627 55.183 55.803 0.012 0.000 0.754 358 Q CB 1.272 30.019 28.738 0.014 0.000 1.247 358 Q HN 0.406 nan 8.270 nan 0.000 0.451 359 K N 3.538 123.942 120.400 0.007 0.000 3.071 359 K HA -0.290 4.030 4.320 -0.001 0.000 0.262 359 K C 0.637 177.239 176.600 0.003 0.000 0.977 359 K CA 0.765 57.056 56.287 0.005 0.000 0.721 359 K CB -1.915 30.588 32.500 0.005 0.000 1.293 359 K HN 1.202 nan 8.250 nan 0.000 0.475 360 G N 0.107 108.909 108.800 0.003 0.000 2.225 360 G HA2 -0.398 3.562 3.960 -0.001 0.000 0.254 360 G HA3 -0.398 3.562 3.960 -0.001 0.000 0.254 360 G C 0.124 175.024 174.900 -0.001 0.000 0.988 360 G CA 0.553 45.654 45.100 0.001 0.000 0.625 360 G HN 0.510 nan 8.290 nan 0.000 0.527 361 R N 0.651 121.151 120.500 -0.000 0.000 2.349 361 R HA 0.629 4.968 4.340 -0.001 0.000 0.299 361 R C 0.538 176.837 176.300 -0.002 0.000 1.027 361 R CA -0.882 55.217 56.100 -0.003 0.000 0.958 361 R CB 0.281 30.580 30.300 -0.002 0.000 1.047 361 R HN 0.231 nan 8.270 nan 0.000 0.468 362 I N 5.954 126.520 120.570 -0.007 0.000 2.587 362 I HA -0.065 4.105 4.170 -0.001 0.000 0.284 362 I C 1.213 177.328 176.117 -0.004 0.000 1.134 362 I CA 0.054 61.350 61.300 -0.007 0.000 1.410 362 I CB 1.139 39.127 38.000 -0.020 0.000 1.392 362 I HN 0.622 nan 8.210 nan 0.000 0.545 363 V N 2.630 122.548 119.914 0.007 0.000 3.556 363 V HA 0.611 4.731 4.120 -0.001 0.000 0.287 363 V C 0.538 176.649 176.094 0.029 0.000 1.422 363 V CA 0.294 62.603 62.300 0.016 0.000 1.038 363 V CB 0.178 32.014 31.823 0.021 0.000 0.850 363 V HN 0.803 nan 8.190 nan 0.000 0.437 364 G N -0.765 108.053 108.800 0.030 0.000 2.632 364 G HA2 0.823 4.782 3.960 -0.001 0.000 0.292 364 G HA3 0.823 4.782 3.960 -0.001 0.000 0.292 364 G C -1.427 173.503 174.900 0.050 0.000 1.465 364 G CA -0.035 45.096 45.100 0.051 0.000 0.824 364 G HN 1.100 nan 8.290 nan 0.000 0.509 365 A N -0.143 122.725 122.820 0.080 0.000 2.594 365 A HA 0.949 5.268 4.320 -0.001 0.000 0.295 365 A C -0.609 177.083 177.584 0.180 0.000 1.071 365 A CA -0.566 51.532 52.037 0.102 0.000 0.685 365 A CB 1.948 20.980 19.000 0.054 0.000 1.285 365 A HN 1.134 nan 8.150 nan 0.000 0.405 366 T N 0.522 115.163 114.554 0.145 0.000 2.886 366 T HA 0.563 4.912 4.350 -0.001 0.000 0.292 366 T C -1.042 173.665 174.700 0.012 0.000 1.012 366 T CA -0.218 61.929 62.100 0.079 0.000 0.982 366 T CB 1.028 69.926 68.868 0.051 0.000 1.018 366 T HN 0.804 nan 8.240 nan 0.000 0.451 367 C N 2.824 122.054 119.300 -0.117 0.000 2.408 367 C HA 0.734 5.194 4.460 -0.001 0.000 0.321 367 C C -0.070 174.691 174.990 -0.382 0.000 1.245 367 C CA -0.749 58.140 59.018 -0.215 0.000 1.523 367 C CB 0.867 28.540 27.740 -0.113 0.000 2.178 367 C HN 0.708 nan 8.230 nan 0.000 0.488 368 V N 4.962 124.534 119.914 -0.570 0.000 2.357 368 V HA 0.390 4.510 4.120 -0.001 0.000 0.284 368 V C -0.078 175.784 176.094 -0.387 0.000 1.018 368 V CA -0.291 61.661 62.300 -0.580 0.000 0.841 368 V CB 1.096 32.306 31.823 -1.022 0.000 0.991 368 V HN 0.989 nan 8.190 nan 0.000 0.437 369 N N 3.840 122.396 118.700 -0.240 0.000 2.727 369 N HA -0.196 4.543 4.740 -0.001 0.000 0.249 369 N C 0.055 175.487 175.510 -0.129 0.000 1.048 369 N CA 0.903 53.863 53.050 -0.151 0.000 0.714 369 N CB -0.870 37.549 38.487 -0.112 0.000 0.959 369 N HN 0.809 nan 8.380 nan 0.000 0.544 370 N N -1.025 117.591 118.700 -0.140 0.000 2.636 370 N HA 0.413 5.153 4.740 -0.001 0.000 0.287 370 N C 0.782 176.255 175.510 -0.061 0.000 1.817 370 N CA 0.355 53.350 53.050 -0.091 0.000 0.842 370 N CB 0.236 38.665 38.487 -0.097 0.000 1.353 370 N HN 0.216 nan 8.380 nan 0.000 0.500 371 A N 0.514 123.294 122.820 -0.066 0.000 1.948 371 A HA -0.178 4.142 4.320 -0.001 0.000 0.220 371 A C 2.148 179.739 177.584 0.011 0.000 1.177 371 A CA 1.397 53.411 52.037 -0.039 0.000 0.636 371 A CB -0.358 18.606 19.000 -0.060 0.000 0.815 371 A HN 0.509 nan 8.150 nan 0.000 0.449 372 R N -0.507 119.987 120.500 -0.009 0.000 2.117 372 R HA -0.196 4.144 4.340 -0.001 0.000 0.243 372 R C 0.988 177.289 176.300 0.002 0.000 1.143 372 R CA 1.961 58.057 56.100 -0.008 0.000 0.968 372 R CB -0.284 30.007 30.300 -0.016 0.000 0.863 372 R HN 0.429 nan 8.270 nan 0.000 0.444 373 D N -0.712 119.698 120.400 0.017 0.000 2.289 373 D HA -0.086 4.554 4.640 -0.001 0.000 0.207 373 D C 1.282 177.610 176.300 0.046 0.000 0.966 373 D CA 0.470 54.481 54.000 0.019 0.000 0.868 373 D CB -0.096 40.716 40.800 0.020 0.000 0.943 373 D HN 0.163 nan 8.370 nan 0.000 0.514 374 F N 1.755 121.642 119.950 -0.106 0.000 2.146 374 F HA -0.057 4.469 4.527 -0.001 0.000 0.298 374 F C 2.179 177.881 175.800 -0.165 0.000 1.096 374 F CA 1.163 59.083 58.000 -0.133 0.000 1.275 374 F CB -0.326 38.586 39.000 -0.147 0.000 1.008 374 F HN -0.061 nan 8.300 nan 0.000 0.480 375 A N 0.690 123.423 122.820 -0.144 0.000 1.877 375 A HA -0.121 4.198 4.320 -0.001 0.000 0.216 375 A C -0.152 177.286 177.584 -0.242 0.000 1.186 375 A CA 1.840 53.727 52.037 -0.249 0.000 0.620 375 A CB -2.209 16.709 19.000 -0.136 0.000 0.822 375 A HN 0.339 nan 8.150 nan 0.000 0.443 376 P HA -0.135 nan 4.420 nan 0.000 0.215 376 P C 1.480 178.684 177.300 -0.160 0.000 1.153 376 P CA 0.903 63.925 63.100 -0.130 0.000 0.853 376 P CB -0.193 31.457 31.700 -0.082 0.000 0.788 377 L N -1.095 120.013 121.223 -0.192 0.000 2.083 377 L HA -0.137 4.203 4.340 -0.001 0.000 0.209 377 L C 2.726 179.425 176.870 -0.285 0.000 1.083 377 L CA 1.459 56.178 54.840 -0.201 0.000 0.752 377 L CB -0.562 41.398 42.059 -0.166 0.000 0.899 377 L HN -0.107 nan 8.230 nan 0.000 0.433 378 R N -0.498 119.728 120.500 -0.457 0.000 2.115 378 R HA -0.172 4.168 4.340 -0.001 0.000 0.230 378 R C 2.391 178.536 176.300 -0.258 0.000 1.111 378 R CA 1.004 56.837 56.100 -0.445 0.000 0.976 378 R CB -0.216 29.684 30.300 -0.666 0.000 0.870 378 R HN 0.146 nan 8.270 nan 0.000 0.445 379 R N 1.308 121.679 120.500 -0.215 0.000 2.066 379 R HA -0.051 4.288 4.340 -0.001 0.000 0.232 379 R C 2.016 178.253 176.300 -0.106 0.000 1.131 379 R CA 1.398 57.416 56.100 -0.138 0.000 0.955 379 R CB -0.674 29.557 30.300 -0.115 0.000 0.851 379 R HN 0.157 nan 8.270 nan 0.000 0.432 380 L N 0.152 121.311 121.223 -0.106 0.000 2.046 380 L HA -0.148 4.191 4.340 -0.001 0.000 0.208 380 L C 2.265 179.092 176.870 -0.071 0.000 1.077 380 L CA 0.944 55.738 54.840 -0.077 0.000 0.747 380 L CB -0.648 41.368 42.059 -0.071 0.000 0.896 380 L HN 0.230 nan 8.230 nan 0.000 0.432 381 L N 0.322 121.490 121.223 -0.092 0.000 2.012 381 L HA -0.174 4.166 4.340 -0.001 0.000 0.210 381 L C 2.636 179.471 176.870 -0.059 0.000 1.073 381 L CA 2.071 56.868 54.840 -0.073 0.000 0.748 381 L CB -0.768 41.236 42.059 -0.092 0.000 0.891 381 L HN 0.156 nan 8.230 nan 0.000 0.431 382 A N -0.829 121.948 122.820 -0.073 0.000 1.940 382 A HA -0.150 4.170 4.320 -0.001 0.000 0.219 382 A C 2.058 179.616 177.584 -0.044 0.000 1.176 382 A CA 2.103 54.106 52.037 -0.057 0.000 0.631 382 A CB -1.145 17.817 19.000 -0.064 0.000 0.814 382 A HN 0.576 nan 8.150 nan 0.000 0.446 383 V N -3.772 116.117 119.914 -0.043 0.000 3.647 383 V HA 0.515 4.634 4.120 -0.001 0.000 0.279 383 V C 1.205 177.283 176.094 -0.027 0.000 1.314 383 V CA 0.445 62.725 62.300 -0.033 0.000 1.125 383 V CB -1.027 30.777 31.823 -0.031 0.000 0.907 383 V HN 1.506 nan 8.190 nan 0.000 0.434 384 G N 0.741 109.524 108.800 -0.028 0.000 2.295 384 G HA2 -0.076 3.884 3.960 -0.001 0.000 0.287 384 G HA3 -0.076 3.884 3.960 -0.001 0.000 0.287 384 G C 0.343 175.232 174.900 -0.019 0.000 1.055 384 G CA 0.338 45.425 45.100 -0.021 0.000 0.922 384 G HN 1.687 nan 8.290 nan 0.000 0.503 385 A N -0.462 122.343 122.820 -0.025 0.000 2.483 385 A HA 0.597 4.916 4.320 -0.001 0.000 0.238 385 A C 0.809 178.383 177.584 -0.017 0.000 1.070 385 A CA 0.590 52.613 52.037 -0.022 0.000 0.770 385 A CB 0.351 19.333 19.000 -0.029 0.000 1.008 385 A HN 0.550 nan 8.150 nan 0.000 0.497 386 K N 2.455 122.846 120.400 -0.014 0.000 2.682 386 K HA 0.324 4.643 4.320 -0.001 0.000 0.189 386 K C -2.667 173.927 176.600 -0.010 0.000 1.062 386 K CA -1.125 55.156 56.287 -0.010 0.000 0.997 386 K CB 0.683 33.178 32.500 -0.007 0.000 1.405 386 K HN 0.530 nan 8.250 nan 0.000 0.588 387 P HA 0.040 nan 4.420 nan 0.000 0.276 387 P C -0.620 176.676 177.300 -0.007 0.000 1.252 387 P CA -0.621 62.473 63.100 -0.011 0.000 0.802 387 P CB 0.585 32.277 31.700 -0.013 0.000 1.035 388 D N 0.121 120.517 120.400 -0.007 0.000 2.472 388 D HA -0.040 4.599 4.640 -0.001 0.000 0.248 388 D C 1.011 177.309 176.300 -0.004 0.000 1.174 388 D CA 0.244 54.242 54.000 -0.005 0.000 0.883 388 D CB 0.571 41.368 40.800 -0.005 0.000 1.149 388 D HN 0.127 nan 8.370 nan 0.000 0.488 389 R N 3.206 123.704 120.500 -0.002 0.000 2.096 389 R HA -0.062 4.278 4.340 -0.001 0.000 0.235 389 R C 2.128 178.428 176.300 -0.001 0.000 1.127 389 R CA 1.442 57.541 56.100 -0.001 0.000 0.968 389 R CB -0.346 29.954 30.300 0.000 0.000 0.861 389 R HN 0.561 nan 8.270 nan 0.000 0.440 390 A N 0.870 123.689 122.820 -0.002 0.000 1.877 390 A HA -0.121 4.199 4.320 -0.001 0.000 0.216 390 A C 2.346 179.929 177.584 -0.002 0.000 1.186 390 A CA 1.774 53.810 52.037 -0.002 0.000 0.620 390 A CB -0.932 18.067 19.000 -0.002 0.000 0.822 390 A HN 0.380 nan 8.150 nan 0.000 0.443 391 A N -0.319 122.499 122.820 -0.003 0.000 1.902 391 A HA -0.029 4.291 4.320 -0.001 0.000 0.217 391 A C 2.151 179.733 177.584 -0.003 0.000 1.181 391 A CA 1.456 53.490 52.037 -0.004 0.000 0.623 391 A CB -0.606 18.391 19.000 -0.006 0.000 0.818 391 A HN 0.477 nan 8.150 nan 0.000 0.443 392 L N -0.954 120.267 121.223 -0.003 0.000 2.131 392 L HA -0.200 4.140 4.340 -0.001 0.000 0.210 392 L C 3.014 179.885 176.870 0.002 0.000 1.092 392 L CA 1.053 55.892 54.840 -0.001 0.000 0.759 392 L CB -0.466 41.593 42.059 -0.000 0.000 0.903 392 L HN 0.462 nan 8.230 nan 0.000 0.435 393 A N -1.276 121.545 122.820 0.002 0.000 1.930 393 A HA -0.127 4.193 4.320 -0.001 0.000 0.215 393 A C 1.040 178.625 177.584 0.002 0.000 1.176 393 A CA 0.353 52.392 52.037 0.002 0.000 0.632 393 A CB -0.307 18.693 19.000 0.000 0.000 0.819 393 A HN 0.284 nan 8.150 nan 0.000 0.445 394 D N 0.468 120.868 120.400 0.000 0.000 2.434 394 D HA 0.070 4.709 4.640 -0.001 0.000 0.252 394 D C -1.414 174.886 176.300 0.000 0.000 1.185 394 D CA -1.553 52.447 54.000 -0.001 0.000 0.886 394 D CB 1.100 41.899 40.800 -0.002 0.000 1.148 394 D HN 0.146 nan 8.370 nan 0.000 0.483 395 P HA -0.065 nan 4.420 nan 0.000 0.226 395 P C 0.782 178.082 177.300 0.000 0.000 1.153 395 P CA 0.506 63.607 63.100 0.002 0.000 0.777 395 P CB 0.214 31.915 31.700 0.002 0.000 0.794 396 A N -0.310 122.509 122.820 -0.001 0.000 2.119 396 A HA 0.024 4.343 4.320 -0.001 0.000 0.217 396 A C 1.172 178.754 177.584 -0.004 0.000 1.153 396 A CA 0.735 52.770 52.037 -0.002 0.000 0.692 396 A CB -1.433 17.566 19.000 -0.003 0.000 0.799 396 A HN 0.164 nan 8.150 nan 0.000 0.458 397 T N 1.666 116.218 114.554 -0.004 0.000 2.888 397 T HA 0.198 4.548 4.350 -0.001 0.000 0.301 397 T C -0.392 174.304 174.700 -0.007 0.000 1.001 397 T CA 0.071 62.167 62.100 -0.006 0.000 1.147 397 T CB 0.670 69.534 68.868 -0.005 0.000 0.931 397 T HN 0.290 nan 8.240 nan 0.000 0.541 398 D N 2.845 123.240 120.400 -0.009 0.000 2.317 398 D HA 0.206 4.846 4.640 -0.001 0.000 0.234 398 D C 1.093 177.383 176.300 -0.016 0.000 1.112 398 D CA -0.493 53.500 54.000 -0.012 0.000 0.840 398 D CB 0.781 41.574 40.800 -0.012 0.000 1.078 398 D HN 0.397 nan 8.370 nan 0.000 0.486 399 L N 3.293 124.505 121.223 -0.017 0.000 2.093 399 L HA -0.083 4.256 4.340 -0.001 0.000 0.208 399 L C 2.365 179.216 176.870 -0.032 0.000 1.085 399 L CA 0.574 55.399 54.840 -0.024 0.000 0.755 399 L CB -0.210 41.834 42.059 -0.025 0.000 0.904 399 L HN 0.324 nan 8.230 nan 0.000 0.435 400 R N 1.223 121.705 120.500 -0.030 0.000 2.081 400 R HA -0.174 4.166 4.340 -0.001 0.000 0.235 400 R C 2.571 178.854 176.300 -0.029 0.000 1.131 400 R CA 2.120 58.200 56.100 -0.034 0.000 0.960 400 R CB -0.429 29.853 30.300 -0.030 0.000 0.856 400 R HN 0.222 nan 8.270 nan 0.000 0.436 401 K N 0.201 120.587 120.400 -0.023 0.000 2.097 401 K HA -0.057 4.262 4.320 -0.001 0.000 0.206 401 K C 1.973 178.560 176.600 -0.021 0.000 1.049 401 K CA 1.542 57.816 56.287 -0.020 0.000 0.933 401 K CB -0.899 31.592 32.500 -0.016 0.000 0.717 401 K HN 0.214 nan 8.250 nan 0.000 0.442 402 L N 0.193 121.402 121.223 -0.023 0.000 2.072 402 L HA 0.159 4.499 4.340 -0.001 0.000 0.205 402 L C 2.826 179.679 176.870 -0.029 0.000 1.079 402 L CA 1.887 56.713 54.840 -0.023 0.000 0.752 402 L CB -0.534 41.511 42.059 -0.023 0.000 0.906 402 L HN 0.398 nan 8.230 nan 0.000 0.436 403 A N -0.991 121.807 122.820 -0.036 0.000 1.969 403 A HA -0.039 4.281 4.320 -0.001 0.000 0.218 403 A C 2.364 179.926 177.584 -0.037 0.000 1.169 403 A CA 1.450 53.460 52.037 -0.044 0.000 0.635 403 A CB -0.839 18.125 19.000 -0.059 0.000 0.810 403 A HN 0.471 nan 8.150 nan 0.000 0.445 404 A N -0.354 122.447 122.820 -0.032 0.000 1.970 404 A HA 0.321 4.640 4.320 -0.001 0.000 0.216 404 A C 2.368 179.939 177.584 -0.022 0.000 1.170 404 A CA 1.491 53.512 52.037 -0.026 0.000 0.645 404 A CB -0.698 18.288 19.000 -0.023 0.000 0.816 404 A HN 0.925 nan 8.150 nan 0.000 0.447 405 A N -0.291 122.516 122.820 -0.021 0.000 2.015 405 A HA 0.267 4.587 4.320 -0.001 0.000 0.219 405 A C 1.331 178.905 177.584 -0.017 0.000 1.163 405 A CA 0.977 53.004 52.037 -0.017 0.000 0.646 405 A CB -0.703 18.287 19.000 -0.016 0.000 0.806 405 A HN 0.281 nan 8.150 nan 0.000 0.448 406 V N 0.000 119.902 119.914 -0.020 0.000 2.409 406 V HA 0.000 4.120 4.120 -0.001 0.000 0.244 406 V CA 0.000 62.288 62.300 -0.020 0.000 1.235 406 V CB 0.000 31.808 31.823 -0.025 0.000 1.184 406 V HN 0.000 nan 8.190 nan 0.000 0.556