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 1g5g_1_B DATA FIRST_RESID 33 DATA SEQUENCE DGRPLAAAGI VVTGDKAVNI YTSSQTGSII IKLLPNMPKD KEAcAKAPLE DATA SEQUENCE AYNRTLTTLL TPLGDSIRRI QESXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXGL SQLAVAVGKM DATA SEQUENCE QQFVNDQFNK TAQELDcIKI TQQVGVELNL YLTELTTVFG PQITSPALTQ DATA SEQUENCE LTIQALYNLA GGNMDYLLTK LGVGNNQLSS LISSGLITGN PILYDSQTQL DATA SEQUENCE LGIQVTLPSV GNLNNMRATY LETLSVSTTK GFASALVPKV VTQVGSVIEE DATA SEQUENCE LDTSYcIETD LDLYcTRIVT FPMSPGIYSc LSGNTSAcMY SKTEGALTTP DATA SEQUENCE YMTLKGSVIA NcKMTTcRcA DPPGIISQNY GEAVSLIDRQ ScNILSLDGI DATA SEQUENCE TLRLSGEFDA TYQKNISIQD SQ 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 33 D HA 0.000 nan 4.640 nan 0.000 0.175 33 D C 0.000 176.318 176.300 0.030 0.000 2.045 33 D CA 0.000 54.021 54.000 0.035 0.000 0.868 33 D CB 0.000 40.822 40.800 0.038 0.000 0.688 34 G N 0.793 109.610 108.800 0.028 0.000 2.615 34 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.218 34 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.218 34 G C -0.445 174.470 174.900 0.026 0.000 1.339 34 G CA -0.170 44.945 45.100 0.025 0.000 0.884 34 G HN 0.187 nan 8.290 nan 0.000 0.559 35 R N 0.537 121.051 120.500 0.024 0.000 2.637 35 R HA 0.234 4.574 4.340 -0.000 0.000 0.446 35 R C -1.483 174.833 176.300 0.027 0.000 1.024 35 R CA -0.386 55.729 56.100 0.026 0.000 1.080 35 R CB 1.319 31.634 30.300 0.024 0.000 1.421 35 R HN 0.432 nan 8.270 nan 0.000 0.593 36 P HA -0.097 nan 4.420 nan 0.000 0.224 36 P C 1.253 178.574 177.300 0.035 0.000 1.157 36 P CA 0.801 63.917 63.100 0.028 0.000 0.799 36 P CB 0.180 31.894 31.700 0.024 0.000 0.809 37 L N -3.571 117.672 121.223 0.033 0.000 2.551 37 L HA 0.279 4.619 4.340 -0.000 0.000 0.228 37 L C 2.164 179.058 176.870 0.040 0.000 1.153 37 L CA 1.014 55.876 54.840 0.037 0.000 0.851 37 L CB -1.285 40.791 42.059 0.027 0.000 0.959 37 L HN -0.207 nan 8.230 nan 0.000 0.451 38 A N 1.062 123.904 122.820 0.037 0.000 2.015 38 A HA 0.071 4.391 4.320 -0.000 0.000 0.219 38 A C 2.572 180.185 177.584 0.048 0.000 1.163 38 A CA 1.442 53.502 52.037 0.037 0.000 0.646 38 A CB -0.475 18.544 19.000 0.032 0.000 0.806 38 A HN 0.569 nan 8.150 nan 0.000 0.448 39 A N -0.186 122.666 122.820 0.053 0.000 1.969 39 A HA 0.228 4.547 4.320 -0.000 0.000 0.218 39 A C 2.356 179.996 177.584 0.093 0.000 1.169 39 A CA 1.707 53.781 52.037 0.062 0.000 0.635 39 A CB -0.725 18.309 19.000 0.057 0.000 0.810 39 A HN 0.995 nan 8.150 nan 0.000 0.445 40 A N -2.117 120.768 122.820 0.109 0.000 2.119 40 A HA 0.380 4.700 4.320 -0.000 0.000 0.216 40 A C 1.869 179.564 177.584 0.185 0.000 1.152 40 A CA 1.513 53.664 52.037 0.189 0.000 0.708 40 A CB -0.625 18.468 19.000 0.155 0.000 0.805 40 A HN 1.803 nan 8.150 nan 0.000 0.460 41 G N -1.915 106.942 108.800 0.096 0.000 2.192 41 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.193 41 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.193 41 G C -0.067 174.838 174.900 0.007 0.000 0.999 41 G CA -0.022 45.117 45.100 0.065 0.000 0.659 41 G HN 0.317 nan 8.290 nan 0.000 0.503 42 I N 2.109 122.677 120.570 -0.003 0.000 2.278 42 I HA 0.430 4.600 4.170 -0.000 0.000 0.296 42 I C 0.720 176.844 176.117 0.011 0.000 1.121 42 I CA -0.345 60.947 61.300 -0.013 0.000 1.267 42 I CB 1.232 39.220 38.000 -0.019 0.000 1.447 42 I HN -0.031 nan 8.210 nan 0.000 0.509 43 V N 7.736 127.659 119.914 0.015 0.000 2.498 43 V HA 0.240 4.360 4.120 -0.000 0.000 0.279 43 V C 0.066 176.178 176.094 0.031 0.000 1.048 43 V CA -0.458 61.857 62.300 0.024 0.000 0.967 43 V CB 1.835 33.673 31.823 0.025 0.000 0.988 43 V HN 0.321 nan 8.190 nan 0.000 0.473 44 V N 6.945 126.881 119.914 0.036 0.000 2.339 44 V HA 0.126 4.246 4.120 -0.000 0.000 0.261 44 V C 1.457 177.582 176.094 0.051 0.000 1.058 44 V CA 0.527 62.856 62.300 0.048 0.000 0.897 44 V CB 0.999 32.850 31.823 0.046 0.000 1.052 44 V HN 1.142 nan 8.190 nan 0.000 0.480 45 T N 1.461 116.054 114.554 0.065 0.000 2.915 45 T HA 0.186 4.536 4.350 -0.000 0.000 0.269 45 T C 0.830 175.546 174.700 0.027 0.000 1.071 45 T CA 0.785 62.911 62.100 0.044 0.000 1.132 45 T CB 0.173 69.066 68.868 0.042 0.000 0.878 45 T HN 0.919 nan 8.240 nan 0.000 0.479 46 G N -0.214 108.632 108.800 0.076 0.000 2.579 46 G HA2 0.461 4.421 3.960 -0.000 0.000 0.292 46 G HA3 0.461 4.421 3.960 -0.000 0.000 0.292 46 G C -2.551 172.432 174.900 0.138 0.000 1.484 46 G CA -0.596 44.534 45.100 0.051 0.000 0.813 46 G HN 0.193 nan 8.290 nan 0.000 0.515 47 D N 0.022 120.474 120.400 0.086 0.000 2.780 47 D HA 0.649 5.289 4.640 -0.000 0.000 0.242 47 D C -0.730 175.614 176.300 0.074 0.000 1.135 47 D CA -0.199 53.860 54.000 0.097 0.000 0.859 47 D CB 2.134 42.966 40.800 0.055 0.000 1.530 47 D HN 0.427 nan 8.370 nan 0.000 0.493 48 K N 1.072 121.527 120.400 0.091 0.000 2.536 48 K HA 0.702 5.022 4.320 -0.000 0.000 0.269 48 K C -0.778 175.832 176.600 0.017 0.000 0.965 48 K CA -0.961 55.355 56.287 0.048 0.000 0.860 48 K CB 2.008 34.554 32.500 0.077 0.000 1.423 48 K HN 0.412 nan 8.250 nan 0.000 0.438 49 A N 0.925 123.728 122.820 -0.028 0.000 2.246 49 A HA 0.713 5.033 4.320 -0.000 0.000 0.291 49 A C -0.646 176.889 177.584 -0.082 0.000 1.103 49 A CA -0.454 51.553 52.037 -0.051 0.000 0.844 49 A CB 0.676 19.637 19.000 -0.065 0.000 1.136 49 A HN 0.310 nan 8.150 nan 0.000 0.500 50 V N 1.570 121.436 119.914 -0.080 0.000 2.709 50 V HA 0.460 4.580 4.120 -0.000 0.000 0.308 50 V C -0.753 175.294 176.094 -0.079 0.000 1.062 50 V CA -0.822 61.428 62.300 -0.085 0.000 0.901 50 V CB 1.818 33.613 31.823 -0.046 0.000 1.003 50 V HN 1.008 nan 8.190 nan 0.000 0.425 51 N N 4.155 122.808 118.700 -0.077 0.000 2.308 51 N HA 0.542 5.282 4.740 -0.000 0.000 0.283 51 N C -1.666 173.912 175.510 0.114 0.000 1.105 51 N CA -0.824 52.228 53.050 0.004 0.000 0.840 51 N CB 2.710 41.199 38.487 0.004 0.000 1.633 51 N HN 0.300 nan 8.380 nan 0.000 0.476 52 I N 1.561 122.197 120.570 0.109 0.000 2.532 52 I HA 0.340 4.510 4.170 -0.000 0.000 0.292 52 I C -0.131 176.114 176.117 0.214 0.000 1.014 52 I CA -0.358 61.010 61.300 0.114 0.000 1.340 52 I CB -0.073 37.938 38.000 0.019 0.000 1.422 52 I HN 0.597 nan 8.210 nan 0.000 0.528 53 Y N 1.564 121.913 120.300 0.081 0.000 2.615 53 Y HA 0.786 5.335 4.550 -0.000 0.000 0.341 53 Y C -1.074 174.851 175.900 0.041 0.000 1.089 53 Y CA -1.078 57.068 58.100 0.076 0.000 1.049 53 Y CB 1.599 40.126 38.460 0.112 0.000 1.296 53 Y HN 0.434 nan 8.280 nan 0.000 0.470 54 T N 1.495 116.073 114.554 0.039 0.000 3.109 54 T HA 0.249 4.599 4.350 -0.000 0.000 0.311 54 T C -0.882 173.873 174.700 0.091 0.000 1.011 54 T CA -0.932 61.133 62.100 -0.059 0.000 1.026 54 T CB 1.272 70.108 68.868 -0.053 0.000 1.047 54 T HN 0.641 nan 8.240 nan 0.000 0.448 55 S N 2.226 117.989 115.700 0.104 0.000 4.053 55 S HA 0.046 4.516 4.470 -0.000 0.000 0.184 55 S C 1.739 176.368 174.600 0.047 0.000 1.324 55 S CA -0.272 57.990 58.200 0.104 0.000 0.956 55 S CB -0.487 62.780 63.200 0.111 0.000 1.503 55 S HN 0.824 nan 8.310 nan 0.000 0.440 56 S N 0.715 116.436 115.700 0.035 0.000 2.441 56 S HA 0.087 4.557 4.470 -0.000 0.000 0.224 56 S C 0.779 175.388 174.600 0.015 0.000 1.043 56 S CA -0.205 58.005 58.200 0.018 0.000 0.948 56 S CB -0.069 63.137 63.200 0.009 0.000 0.810 56 S HN 0.502 nan 8.310 nan 0.000 0.504 57 Q N 1.304 121.114 119.800 0.015 0.000 2.417 57 Q HA 0.440 4.780 4.340 -0.000 0.000 0.241 57 Q C -0.176 175.830 176.000 0.009 0.000 1.008 57 Q CA 0.453 56.260 55.803 0.007 0.000 0.901 57 Q CB 1.004 29.740 28.738 -0.004 0.000 1.259 57 Q HN 0.493 nan 8.270 nan 0.000 0.489 58 T N -1.471 113.089 114.554 0.009 0.000 2.821 58 T HA 0.736 5.086 4.350 -0.000 0.000 0.306 58 T C -1.051 173.658 174.700 0.015 0.000 1.313 58 T CA -0.066 62.042 62.100 0.012 0.000 1.012 58 T CB 2.006 70.883 68.868 0.014 0.000 1.298 58 T HN 0.738 nan 8.240 nan 0.000 0.502 59 G N 0.722 109.534 108.800 0.019 0.000 2.660 59 G HA2 0.637 4.597 3.960 -0.000 0.000 0.290 59 G HA3 0.637 4.597 3.960 -0.000 0.000 0.290 59 G C -1.168 173.748 174.900 0.027 0.000 1.432 59 G CA -0.224 44.891 45.100 0.025 0.000 0.807 59 G HN 1.478 nan 8.290 nan 0.000 0.485 60 S N -0.484 115.234 115.700 0.030 0.000 2.677 60 S HA 0.685 5.155 4.470 -0.000 0.000 0.283 60 S C -0.877 173.741 174.600 0.030 0.000 1.159 60 S CA -0.679 57.536 58.200 0.025 0.000 1.001 60 S CB 1.334 64.544 63.200 0.017 0.000 1.032 60 S HN 0.625 nan 8.310 nan 0.000 0.487 61 I N 3.862 124.448 120.570 0.027 0.000 2.336 61 I HA 0.449 4.619 4.170 -0.000 0.000 0.292 61 I C -0.470 175.624 176.117 -0.038 0.000 0.991 61 I CA -0.821 60.495 61.300 0.027 0.000 1.227 61 I CB 1.553 39.602 38.000 0.081 0.000 1.366 61 I HN 0.743 nan 8.210 nan 0.000 0.466 62 I N 8.115 128.670 120.570 -0.026 0.000 2.405 62 I HA 0.411 4.581 4.170 -0.000 0.000 0.280 62 I C -0.427 175.660 176.117 -0.050 0.000 1.027 62 I CA -0.475 60.799 61.300 -0.044 0.000 1.161 62 I CB 0.460 38.455 38.000 -0.009 0.000 1.300 62 I HN 0.468 nan 8.210 nan 0.000 0.463 63 I N 7.214 127.704 120.570 -0.134 0.000 2.575 63 I HA 0.135 4.305 4.170 -0.000 0.000 0.285 63 I C 0.199 176.317 176.117 0.002 0.000 1.085 63 I CA 0.044 61.273 61.300 -0.118 0.000 1.403 63 I CB 0.609 38.401 38.000 -0.346 0.000 1.409 63 I HN 0.472 nan 8.210 nan 0.000 0.557 64 K N 6.069 126.526 120.400 0.094 0.000 2.484 64 K HA 0.330 4.650 4.320 -0.000 0.000 0.226 64 K C 0.612 177.357 176.600 0.243 0.000 1.031 64 K CA -0.293 56.074 56.287 0.133 0.000 1.026 64 K CB 0.914 33.481 32.500 0.111 0.000 1.412 64 K HN 0.531 nan 8.250 nan 0.000 0.492 65 L N 1.609 122.960 121.223 0.213 0.000 2.081 65 L HA -0.167 4.172 4.340 -0.000 0.000 0.212 65 L C 0.644 177.797 176.870 0.471 0.000 1.080 65 L CA 1.242 56.256 54.840 0.289 0.000 0.754 65 L CB -0.319 41.846 42.059 0.178 0.000 0.893 65 L HN 0.449 nan 8.230 nan 0.000 0.433 66 L N 0.862 122.277 121.223 0.319 0.000 2.260 66 L HA 0.285 4.625 4.340 -0.000 0.000 0.289 66 L C -1.985 174.951 176.870 0.109 0.000 1.057 66 L CA -2.038 52.944 54.840 0.236 0.000 0.811 66 L CB 0.696 42.848 42.059 0.156 0.000 1.184 66 L HN -0.156 nan 8.230 nan 0.000 0.429 67 P HA 0.022 nan 4.420 nan 0.000 0.269 67 P C -0.832 176.402 177.300 -0.111 0.000 1.215 67 P CA -0.361 62.630 63.100 -0.182 0.000 0.780 67 P CB 0.387 31.890 31.700 -0.329 0.000 0.898 68 N N 2.870 121.504 118.700 -0.110 0.000 2.400 68 N HA 0.083 4.823 4.740 -0.000 0.000 0.267 68 N C 0.120 175.585 175.510 -0.075 0.000 1.208 68 N CA 0.199 53.208 53.050 -0.068 0.000 0.951 68 N CB -0.017 38.439 38.487 -0.053 0.000 1.227 68 N HN 0.323 nan 8.380 nan 0.000 0.488 69 M N 2.178 121.741 119.600 -0.062 0.000 2.226 69 M HA 0.302 4.781 4.480 -0.000 0.000 0.324 69 M C -1.674 174.600 176.300 -0.043 0.000 1.112 69 M CA -1.703 53.562 55.300 -0.058 0.000 1.176 69 M CB -0.716 31.854 32.600 -0.050 0.000 1.430 69 M HN 0.200 nan 8.290 nan 0.000 0.462 70 P HA 0.255 nan 4.420 nan 0.000 0.278 70 P C -1.290 175.996 177.300 -0.023 0.000 1.238 70 P CA -0.585 62.497 63.100 -0.030 0.000 0.794 70 P CB 0.183 31.866 31.700 -0.028 0.000 0.955 71 K N 1.555 121.943 120.400 -0.019 0.000 2.338 71 K HA 0.242 4.562 4.320 -0.000 0.000 0.290 71 K C -0.159 176.433 176.600 -0.012 0.000 1.069 71 K CA -0.356 55.922 56.287 -0.014 0.000 0.941 71 K CB 0.348 32.841 32.500 -0.012 0.000 1.023 71 K HN 0.302 nan 8.250 nan 0.000 0.477 72 D N 1.655 122.048 120.400 -0.011 0.000 2.109 72 D HA -0.137 4.502 4.640 -0.000 0.000 0.231 72 D C 0.324 176.618 176.300 -0.010 0.000 1.132 72 D CA 1.152 55.146 54.000 -0.009 0.000 1.555 72 D CB -0.767 40.028 40.800 -0.008 0.000 1.413 72 D HN 0.545 nan 8.370 nan 0.000 0.668 73 K N 2.364 122.756 120.400 -0.012 0.000 2.675 73 K HA -0.052 4.268 4.320 -0.000 0.000 0.194 73 K C 1.481 178.073 176.600 -0.013 0.000 1.029 73 K CA 1.000 57.280 56.287 -0.012 0.000 0.980 73 K CB -0.344 32.147 32.500 -0.015 0.000 0.803 73 K HN 0.554 nan 8.250 nan 0.000 0.493 74 E N 0.884 121.076 120.200 -0.012 0.000 2.038 74 E HA -0.284 4.066 4.350 -0.000 0.000 0.195 74 E C 1.870 178.466 176.600 -0.007 0.000 1.000 74 E CA 1.353 57.747 56.400 -0.011 0.000 0.803 74 E CB -0.098 29.597 29.700 -0.009 0.000 0.750 74 E HN 0.250 nan 8.360 nan 0.000 0.448 75 A N 0.807 123.625 122.820 -0.004 0.000 1.944 75 A HA -0.347 3.973 4.320 -0.000 0.000 0.222 75 A C 2.545 180.129 177.584 -0.001 0.000 1.237 75 A CA 2.199 54.235 52.037 -0.001 0.000 0.668 75 A CB -1.421 17.578 19.000 -0.001 0.000 0.830 75 A HN 0.619 nan 8.150 nan 0.000 0.471 76 c N -1.567 117.031 118.600 -0.003 0.000 2.476 76 c HA 0.198 4.768 4.570 -0.000 0.000 0.278 76 c C 3.317 177.404 174.090 -0.004 0.000 1.274 76 c CA 0.587 56.914 56.329 -0.003 0.000 1.713 76 c CB -1.462 41.045 42.510 -0.004 0.000 2.039 76 c HN 0.754 nan 8.230 nan 0.000 0.484 77 A N 0.448 123.262 122.820 -0.009 0.000 1.972 77 A HA -0.176 4.144 4.320 -0.000 0.000 0.219 77 A C 2.165 179.743 177.584 -0.009 0.000 1.169 77 A CA 1.423 53.452 52.037 -0.015 0.000 0.635 77 A CB -0.539 18.446 19.000 -0.025 0.000 0.810 77 A HN 0.666 nan 8.150 nan 0.000 0.446 78 K N -0.325 120.074 120.400 -0.002 0.000 2.127 78 K HA -0.222 4.098 4.320 -0.000 0.000 0.208 78 K C 2.256 178.865 176.600 0.015 0.000 1.047 78 K CA 1.194 57.485 56.287 0.006 0.000 0.927 78 K CB -0.337 32.168 32.500 0.008 0.000 0.716 78 K HN 0.506 nan 8.250 nan 0.000 0.450 79 A N 1.888 124.716 122.820 0.013 0.000 1.845 79 A HA -0.132 4.188 4.320 -0.000 0.000 0.215 79 A C -0.348 177.254 177.584 0.030 0.000 1.195 79 A CA 1.517 53.566 52.037 0.020 0.000 0.616 79 A CB -1.539 17.471 19.000 0.016 0.000 0.832 79 A HN 0.244 nan 8.150 nan 0.000 0.443 80 P HA -0.117 nan 4.420 nan 0.000 0.215 80 P C 1.802 179.136 177.300 0.056 0.000 1.157 80 P CA 1.120 64.243 63.100 0.039 0.000 0.859 80 P CB -0.210 31.502 31.700 0.019 0.000 0.786 81 L N 0.538 121.773 121.223 0.019 0.000 1.997 81 L HA -0.232 4.108 4.340 -0.000 0.000 0.216 81 L C 2.652 179.587 176.870 0.108 0.000 1.074 81 L CA 2.204 57.056 54.840 0.019 0.000 0.763 81 L CB -1.305 40.749 42.059 -0.008 0.000 0.890 81 L HN -0.137 nan 8.230 nan 0.000 0.434 82 E N -0.534 119.714 120.200 0.080 0.000 2.048 82 E HA -0.296 4.054 4.350 -0.000 0.000 0.202 82 E C 2.129 178.794 176.600 0.108 0.000 1.021 82 E CA 1.932 58.382 56.400 0.084 0.000 0.825 82 E CB -0.551 29.182 29.700 0.055 0.000 0.756 82 E HN 0.617 nan 8.360 nan 0.000 0.454 83 A N -0.259 122.622 122.820 0.102 0.000 1.873 83 A HA -0.265 4.055 4.320 -0.000 0.000 0.218 83 A C 2.243 179.913 177.584 0.143 0.000 1.193 83 A CA 2.045 54.142 52.037 0.100 0.000 0.629 83 A CB -1.228 17.825 19.000 0.088 0.000 0.826 83 A HN 0.560 nan 8.150 nan 0.000 0.447 84 Y N 1.099 121.419 120.300 0.033 0.000 2.070 84 Y HA -0.270 4.280 4.550 -0.000 0.000 0.279 84 Y C 2.196 178.122 175.900 0.043 0.000 1.134 84 Y CA 2.351 60.475 58.100 0.040 0.000 1.113 84 Y CB -0.813 37.679 38.460 0.054 0.000 0.981 84 Y HN 0.393 nan 8.280 nan 0.000 0.487 85 N N 0.302 119.276 118.700 0.457 0.000 2.322 85 N HA -0.245 4.495 4.740 -0.000 0.000 0.189 85 N C 1.989 177.551 175.510 0.088 0.000 1.012 85 N CA 1.499 54.708 53.050 0.265 0.000 0.880 85 N CB -0.333 38.293 38.487 0.231 0.000 0.967 85 N HN 0.494 nan 8.380 nan 0.000 0.439 86 R N -0.655 119.888 120.500 0.072 0.000 2.055 86 R HA -0.065 4.275 4.340 -0.000 0.000 0.228 86 R C 2.243 178.536 176.300 -0.011 0.000 1.143 86 R CA 1.938 58.058 56.100 0.033 0.000 0.945 86 R CB -0.741 29.582 30.300 0.038 0.000 0.841 86 R HN 0.444 nan 8.270 nan 0.000 0.429 87 T N -0.373 114.155 114.554 -0.043 0.000 2.803 87 T HA -0.147 4.203 4.350 -0.000 0.000 0.269 87 T C 2.013 176.629 174.700 -0.139 0.000 1.052 87 T CA 1.214 63.264 62.100 -0.084 0.000 1.136 87 T CB -0.400 68.411 68.868 -0.095 0.000 0.864 87 T HN 0.211 nan 8.240 nan 0.000 0.467 88 L N 1.606 122.702 121.223 -0.212 0.000 1.990 88 L HA -0.150 4.190 4.340 -0.000 0.000 0.213 88 L C 3.276 180.092 176.870 -0.090 0.000 1.072 88 L CA 2.361 57.068 54.840 -0.221 0.000 0.755 88 L CB -1.012 40.919 42.059 -0.213 0.000 0.889 88 L HN 0.605 nan 8.230 nan 0.000 0.432 89 T N -5.715 108.836 114.554 -0.005 0.000 2.962 89 T HA -0.152 4.198 4.350 -0.000 0.000 0.270 89 T C 1.692 176.402 174.700 0.017 0.000 1.088 89 T CA 1.489 63.628 62.100 0.065 0.000 1.127 89 T CB -0.402 68.520 68.868 0.090 0.000 0.883 89 T HN 0.184 nan 8.240 nan 0.000 0.493 90 T N 1.320 115.863 114.554 -0.019 0.000 2.867 90 T HA 0.148 4.498 4.350 -0.000 0.000 0.268 90 T C 1.618 176.289 174.700 -0.048 0.000 1.057 90 T CA 0.813 62.899 62.100 -0.025 0.000 1.136 90 T CB -0.335 68.516 68.868 -0.029 0.000 0.874 90 T HN 0.201 nan 8.240 nan 0.000 0.466 91 L N 0.624 121.798 121.223 -0.083 0.000 2.071 91 L HA 0.240 4.580 4.340 -0.000 0.000 0.201 91 L C 2.034 178.817 176.870 -0.146 0.000 1.076 91 L CA 1.444 56.219 54.840 -0.109 0.000 0.755 91 L CB -0.360 41.618 42.059 -0.135 0.000 0.915 91 L HN 0.208 nan 8.230 nan 0.000 0.445 92 L N -1.587 119.501 121.223 -0.225 0.000 2.376 92 L HA -0.108 4.232 4.340 -0.000 0.000 0.219 92 L C 2.256 178.967 176.870 -0.265 0.000 1.133 92 L CA 0.768 55.356 54.840 -0.420 0.000 0.816 92 L CB -1.206 40.271 42.059 -0.970 0.000 0.933 92 L HN 0.290 nan 8.230 nan 0.000 0.449 93 T N 1.041 115.579 114.554 -0.026 0.000 2.607 93 T HA -0.133 4.217 4.350 -0.000 0.000 0.267 93 T C -0.286 174.446 174.700 0.053 0.000 1.049 93 T CA 1.913 64.077 62.100 0.107 0.000 1.162 93 T CB -0.866 68.050 68.868 0.080 0.000 0.863 93 T HN 0.249 nan 8.240 nan 0.000 0.424 94 P HA -0.060 nan 4.420 nan 0.000 0.214 94 P C 1.777 179.071 177.300 -0.010 0.000 1.163 94 P CA 0.629 63.727 63.100 -0.004 0.000 0.883 94 P CB -0.270 31.418 31.700 -0.020 0.000 0.788 95 L N -0.149 121.043 121.223 -0.052 0.000 2.043 95 L HA -0.145 4.195 4.340 -0.000 0.000 0.212 95 L C 2.081 178.943 176.870 -0.014 0.000 1.075 95 L CA 2.800 57.603 54.840 -0.062 0.000 0.752 95 L CB -1.833 40.146 42.059 -0.133 0.000 0.891 95 L HN 0.057 nan 8.230 nan 0.000 0.432 96 G N -0.304 108.514 108.800 0.031 0.000 2.459 96 G HA2 -0.387 3.573 3.960 -0.000 0.000 0.217 96 G HA3 -0.387 3.573 3.960 -0.000 0.000 0.217 96 G C 1.246 176.218 174.900 0.120 0.000 1.183 96 G CA 0.970 46.201 45.100 0.217 0.000 0.776 96 G HN 0.529 nan 8.290 nan 0.000 0.552 97 D N 0.927 121.378 120.400 0.085 0.000 2.106 97 D HA -0.203 4.437 4.640 -0.000 0.000 0.191 97 D C 2.811 179.130 176.300 0.032 0.000 0.997 97 D CA 2.318 56.347 54.000 0.049 0.000 0.834 97 D CB -0.300 40.521 40.800 0.035 0.000 0.956 97 D HN 0.362 nan 8.370 nan 0.000 0.448 98 S N -0.015 115.699 115.700 0.022 0.000 2.370 98 S HA -0.211 4.259 4.470 -0.000 0.000 0.226 98 S C 2.349 176.959 174.600 0.016 0.000 1.033 98 S CA 1.309 59.516 58.200 0.013 0.000 1.011 98 S CB -1.008 62.194 63.200 0.004 0.000 0.852 98 S HN 0.452 nan 8.310 nan 0.000 0.457 99 I N 2.136 122.720 120.570 0.024 0.000 2.194 99 I HA -0.275 3.895 4.170 -0.000 0.000 0.246 99 I C 3.052 179.183 176.117 0.023 0.000 1.093 99 I CA 1.973 63.288 61.300 0.025 0.000 1.355 99 I CB -0.484 37.540 38.000 0.040 0.000 1.046 99 I HN 0.354 nan 8.210 nan 0.000 0.413 100 R N 1.441 121.957 120.500 0.027 0.000 2.070 100 R HA -0.179 4.161 4.340 -0.000 0.000 0.232 100 R C 2.545 178.853 176.300 0.013 0.000 1.138 100 R CA 1.652 57.763 56.100 0.019 0.000 0.936 100 R CB -0.228 30.083 30.300 0.019 0.000 0.839 100 R HN 0.233 nan 8.270 nan 0.000 0.429 101 R N 0.160 120.668 120.500 0.013 0.000 2.133 101 R HA -0.158 4.182 4.340 -0.000 0.000 0.247 101 R C 2.358 178.663 176.300 0.008 0.000 1.151 101 R CA 2.038 58.143 56.100 0.009 0.000 0.971 101 R CB -0.428 29.877 30.300 0.008 0.000 0.866 101 R HN 0.394 nan 8.270 nan 0.000 0.447 102 I N 0.467 121.042 120.570 0.009 0.000 2.286 102 I HA -0.248 3.921 4.170 -0.000 0.000 0.245 102 I C 2.262 178.383 176.117 0.007 0.000 1.104 102 I CA 1.309 62.613 61.300 0.007 0.000 1.397 102 I CB -0.328 37.677 38.000 0.007 0.000 1.072 102 I HN 0.231 nan 8.210 nan 0.000 0.417 103 Q N 0.450 120.256 119.800 0.009 0.000 2.224 103 Q HA -0.162 4.178 4.340 -0.000 0.000 0.203 103 Q C 2.016 178.019 176.000 0.006 0.000 0.970 103 Q CA 0.836 56.643 55.803 0.008 0.000 0.865 103 Q CB 0.012 28.756 28.738 0.009 0.000 0.922 103 Q HN 0.408 nan 8.270 nan 0.000 0.445 104 E N 0.733 120.936 120.200 0.006 0.000 2.118 104 E HA -0.085 4.265 4.350 -0.000 0.000 0.195 104 E C 0.751 177.354 176.600 0.004 0.000 0.992 104 E CA 0.701 57.103 56.400 0.004 0.000 0.804 104 E CB -0.024 29.678 29.700 0.004 0.000 0.741 104 E HN 0.157 nan 8.360 nan 0.000 0.458 172 L N 1.670 122.893 121.223 0.000 0.000 1.997 172 L HA -0.097 4.243 4.340 -0.000 0.000 0.216 172 L C 2.626 179.497 176.870 0.002 0.000 1.074 172 L CA 2.980 57.821 54.840 0.001 0.000 0.763 172 L CB -0.834 41.226 42.059 0.002 0.000 0.890 172 L HN 0.542 nan 8.230 nan 0.000 0.434 173 S N -1.276 114.425 115.700 0.001 0.000 2.356 173 S HA -0.247 4.222 4.470 -0.000 0.000 0.223 173 S C 1.958 176.559 174.600 0.001 0.000 1.032 173 S CA 1.658 59.859 58.200 0.002 0.000 1.005 173 S CB -0.177 63.024 63.200 0.001 0.000 0.867 173 S HN 0.602 nan 8.310 nan 0.000 0.449 174 Q N 0.327 120.126 119.800 -0.000 0.000 1.967 174 Q HA -0.134 4.206 4.340 -0.000 0.000 0.202 174 Q C 2.385 178.383 176.000 -0.003 0.000 0.985 174 Q CA 1.859 57.661 55.803 -0.002 0.000 0.839 174 Q CB -0.473 28.263 28.738 -0.003 0.000 0.906 174 Q HN 0.676 nan 8.270 nan 0.000 0.423 175 L N 0.393 121.615 121.223 -0.003 0.000 2.191 175 L HA -0.099 4.241 4.340 -0.000 0.000 0.212 175 L C 2.268 179.138 176.870 -0.000 0.000 1.103 175 L CA 1.466 56.304 54.840 -0.003 0.000 0.769 175 L CB -0.425 41.632 42.059 -0.003 0.000 0.908 175 L HN 0.315 nan 8.230 nan 0.000 0.438 176 A N -0.435 122.386 122.820 0.002 0.000 1.978 176 A HA -0.175 4.145 4.320 -0.000 0.000 0.220 176 A C 2.202 179.790 177.584 0.006 0.000 1.170 176 A CA 1.912 53.952 52.037 0.005 0.000 0.636 176 A CB -0.998 18.005 19.000 0.006 0.000 0.810 176 A HN 0.363 nan 8.150 nan 0.000 0.448 177 V N -0.158 119.758 119.914 0.003 0.000 2.332 177 V HA -0.304 3.816 4.120 -0.000 0.000 0.248 177 V C 3.045 179.140 176.094 0.003 0.000 1.055 177 V CA 1.934 64.237 62.300 0.003 0.000 1.038 177 V CB -1.395 30.428 31.823 -0.001 0.000 0.651 177 V HN 0.653 nan 8.190 nan 0.000 0.450 178 A N -0.002 122.816 122.820 -0.003 0.000 1.869 178 A HA -0.240 4.080 4.320 -0.000 0.000 0.218 178 A C 2.418 180.005 177.584 0.005 0.000 1.203 178 A CA 2.555 54.587 52.037 -0.009 0.000 0.638 178 A CB -0.989 18.004 19.000 -0.012 0.000 0.831 178 A HN 0.336 nan 8.150 nan 0.000 0.450 179 V N -0.072 119.850 119.914 0.012 0.000 2.332 179 V HA -0.237 3.883 4.120 -0.000 0.000 0.248 179 V C 2.781 178.896 176.094 0.034 0.000 1.055 179 V CA 2.091 64.406 62.300 0.025 0.000 1.038 179 V CB -1.563 30.273 31.823 0.022 0.000 0.651 179 V HN 0.685 nan 8.190 nan 0.000 0.450 180 G N -0.267 108.550 108.800 0.027 0.000 2.480 180 G HA2 -0.265 3.694 3.960 -0.000 0.000 0.216 180 G HA3 -0.265 3.694 3.960 -0.000 0.000 0.216 180 G C 1.641 176.569 174.900 0.046 0.000 1.200 180 G CA 1.114 46.233 45.100 0.032 0.000 0.782 180 G HN 0.474 nan 8.290 nan 0.000 0.554 181 K N -0.537 119.886 120.400 0.038 0.000 1.967 181 K HA 0.004 4.324 4.320 -0.000 0.000 0.212 181 K C 2.536 179.191 176.600 0.091 0.000 1.044 181 K CA 1.244 57.562 56.287 0.051 0.000 0.942 181 K CB -0.420 32.087 32.500 0.011 0.000 0.726 181 K HN 0.199 nan 8.250 nan 0.000 0.440 182 M N 2.030 121.658 119.600 0.046 0.000 2.147 182 M HA -0.333 4.147 4.480 -0.000 0.000 0.253 182 M C 2.301 178.722 176.300 0.201 0.000 1.075 182 M CA 1.935 57.281 55.300 0.077 0.000 1.085 182 M CB -0.735 31.882 32.600 0.028 0.000 1.305 182 M HN 0.295 nan 8.290 nan 0.000 0.409 183 Q N 0.389 120.270 119.800 0.134 0.000 1.975 183 Q HA -0.281 4.059 4.340 -0.000 0.000 0.205 183 Q C 1.831 177.913 176.000 0.137 0.000 0.990 183 Q CA 2.887 58.767 55.803 0.128 0.000 0.845 183 Q CB -0.591 28.196 28.738 0.082 0.000 0.913 183 Q HN 0.846 nan 8.270 nan 0.000 0.420 184 Q N 0.139 120.010 119.800 0.118 0.000 2.152 184 Q HA -0.195 4.145 4.340 -0.000 0.000 0.206 184 Q C 1.902 177.973 176.000 0.118 0.000 0.985 184 Q CA 2.118 57.980 55.803 0.099 0.000 0.863 184 Q CB -1.379 27.409 28.738 0.084 0.000 0.904 184 Q HN 0.498 nan 8.270 nan 0.000 0.422 185 F N 2.160 122.120 119.950 0.016 0.000 2.046 185 F HA -0.212 4.315 4.527 -0.000 0.000 0.297 185 F C 2.065 177.866 175.800 0.002 0.000 1.123 185 F CA 2.198 60.200 58.000 0.003 0.000 1.199 185 F CB -0.695 38.300 39.000 -0.009 0.000 0.972 185 F HN 0.049 nan 8.300 nan 0.000 0.474 186 V N 0.003 119.844 119.914 -0.122 0.000 2.568 186 V HA -0.282 3.838 4.120 -0.000 0.000 0.253 186 V C 2.115 178.138 176.094 -0.117 0.000 1.072 186 V CA 2.219 64.340 62.300 -0.299 0.000 1.084 186 V CB -1.232 30.660 31.823 0.115 0.000 0.676 186 V HN 0.486 nan 8.190 nan 0.000 0.469 187 N N 1.239 119.935 118.700 -0.007 0.000 2.058 187 N HA -0.216 4.524 4.740 -0.000 0.000 0.191 187 N C 1.867 177.364 175.510 -0.022 0.000 1.037 187 N CA 2.149 55.224 53.050 0.042 0.000 0.848 187 N CB -0.677 37.832 38.487 0.037 0.000 1.021 187 N HN 0.806 nan 8.380 nan 0.000 0.422 188 D N 0.700 121.040 120.400 -0.100 0.000 2.104 188 D HA -0.207 4.432 4.640 -0.000 0.000 0.194 188 D C 1.717 177.912 176.300 -0.175 0.000 0.994 188 D CA 1.306 55.239 54.000 -0.111 0.000 0.830 188 D CB 0.134 40.874 40.800 -0.099 0.000 0.959 188 D HN 0.060 nan 8.370 nan 0.000 0.452 189 Q N -0.398 119.172 119.800 -0.384 0.000 2.002 189 Q HA -0.139 4.201 4.340 -0.000 0.000 0.204 189 Q C 2.188 178.036 176.000 -0.254 0.000 0.988 189 Q CA 1.525 57.069 55.803 -0.432 0.000 0.843 189 Q CB -0.756 27.490 28.738 -0.820 0.000 0.908 189 Q HN 0.298 nan 8.270 nan 0.000 0.420 190 F N 0.452 120.284 119.950 -0.198 0.000 2.154 190 F HA -0.210 4.317 4.527 -0.000 0.000 0.301 190 F C 1.982 177.730 175.800 -0.086 0.000 1.087 190 F CA 1.347 59.278 58.000 -0.114 0.000 1.274 190 F CB -0.587 38.359 39.000 -0.091 0.000 1.009 190 F HN 0.211 nan 8.300 nan 0.000 0.485 191 N N 0.209 118.968 118.700 0.098 0.000 2.166 191 N HA -0.174 4.566 4.740 -0.000 0.000 0.186 191 N C 2.023 177.542 175.510 0.016 0.000 1.019 191 N CA 1.028 54.103 53.050 0.042 0.000 0.856 191 N CB -0.363 38.132 38.487 0.013 0.000 0.993 191 N HN 0.207 nan 8.380 nan 0.000 0.426 192 K N 0.584 120.974 120.400 -0.016 0.000 1.985 192 K HA -0.077 4.243 4.320 -0.000 0.000 0.210 192 K C 1.442 178.040 176.600 -0.004 0.000 1.047 192 K CA 1.601 57.874 56.287 -0.023 0.000 0.932 192 K CB -0.990 31.478 32.500 -0.054 0.000 0.716 192 K HN 0.022 nan 8.250 nan 0.000 0.439 193 T N 1.435 115.989 114.554 0.001 0.000 2.897 193 T HA -0.090 4.259 4.350 -0.000 0.000 0.271 193 T C 1.832 176.566 174.700 0.057 0.000 1.084 193 T CA 1.239 63.358 62.100 0.031 0.000 1.123 193 T CB -0.308 68.594 68.868 0.056 0.000 0.865 193 T HN 0.499 nan 8.240 nan 0.000 0.496 194 A N 2.185 125.042 122.820 0.063 0.000 1.828 194 A HA -0.200 4.120 4.320 -0.000 0.000 0.215 194 A C 2.275 179.872 177.584 0.022 0.000 1.203 194 A CA 1.918 53.981 52.037 0.044 0.000 0.614 194 A CB -0.770 18.250 19.000 0.035 0.000 0.844 194 A HN 0.619 nan 8.150 nan 0.000 0.445 195 Q N -0.861 118.947 119.800 0.014 0.000 2.297 195 Q HA -0.002 4.338 4.340 -0.000 0.000 0.204 195 Q C 1.471 177.475 176.000 0.006 0.000 0.962 195 Q CA 1.322 57.129 55.803 0.007 0.000 0.879 195 Q CB -0.253 28.487 28.738 0.003 0.000 0.947 195 Q HN 0.562 nan 8.270 nan 0.000 0.462 196 E N 0.557 120.762 120.200 0.008 0.000 2.333 196 E HA -0.040 4.310 4.350 -0.000 0.000 0.198 196 E C 1.432 178.038 176.600 0.009 0.000 1.007 196 E CA 0.587 56.991 56.400 0.006 0.000 0.845 196 E CB 0.079 29.781 29.700 0.003 0.000 0.766 196 E HN 0.468 nan 8.360 nan 0.000 0.507 197 L N 0.113 121.344 121.223 0.014 0.000 2.529 197 L HA -0.052 4.288 4.340 -0.000 0.000 0.223 197 L C 1.659 178.534 176.870 0.008 0.000 1.113 197 L CA 0.388 55.236 54.840 0.014 0.000 0.861 197 L CB 0.111 42.182 42.059 0.020 0.000 1.012 197 L HN -0.029 nan 8.230 nan 0.000 0.461 198 D N -0.828 119.575 120.400 0.006 0.000 2.144 198 D HA -0.133 4.507 4.640 -0.000 0.000 0.207 198 D C 2.225 178.526 176.300 0.001 0.000 0.970 198 D CA 0.825 54.827 54.000 0.002 0.000 0.853 198 D CB 0.073 40.873 40.800 0.000 0.000 1.007 198 D HN 0.160 nan 8.370 nan 0.000 0.469 199 c N 0.337 118.937 118.600 0.001 0.000 2.388 199 c HA -0.152 4.417 4.570 -0.000 0.000 0.277 199 c C 2.836 176.927 174.090 0.001 0.000 1.210 199 c CA 0.604 56.933 56.329 0.000 0.000 1.743 199 c CB -1.225 41.286 42.510 0.001 0.000 2.047 199 c HN 0.404 nan 8.230 nan 0.000 0.458 200 I N 0.099 120.671 120.570 0.004 0.000 2.236 200 I HA -0.306 3.864 4.170 -0.000 0.000 0.249 200 I C 2.621 178.741 176.117 0.004 0.000 1.102 200 I CA 1.805 63.108 61.300 0.005 0.000 1.365 200 I CB -0.553 37.451 38.000 0.007 0.000 1.051 200 I HN 0.471 nan 8.210 nan 0.000 0.420 201 K N 0.475 120.877 120.400 0.003 0.000 2.057 201 K HA -0.120 4.200 4.320 -0.000 0.000 0.206 201 K C 2.192 178.792 176.600 -0.001 0.000 1.050 201 K CA 1.209 57.497 56.287 0.002 0.000 0.935 201 K CB -0.029 32.472 32.500 0.001 0.000 0.715 201 K HN 0.285 nan 8.250 nan 0.000 0.439 202 I N 1.075 121.643 120.570 -0.003 0.000 2.202 202 I HA -0.269 3.901 4.170 -0.000 0.000 0.242 202 I C 2.354 178.467 176.117 -0.007 0.000 1.091 202 I CA 1.684 62.980 61.300 -0.006 0.000 1.368 202 I CB -0.220 37.775 38.000 -0.008 0.000 1.058 202 I HN 0.342 nan 8.210 nan 0.000 0.410 203 T N -1.665 112.886 114.554 -0.004 0.000 2.821 203 T HA -0.283 4.067 4.350 -0.000 0.000 0.267 203 T C 1.775 176.474 174.700 -0.001 0.000 1.046 203 T CA 1.527 63.625 62.100 -0.004 0.000 1.139 203 T CB -0.485 68.384 68.868 0.001 0.000 0.871 203 T HN 0.332 nan 8.240 nan 0.000 0.454 204 Q N 1.316 121.117 119.800 0.002 0.000 2.173 204 Q HA -0.221 4.119 4.340 -0.000 0.000 0.208 204 Q C 2.345 178.348 176.000 0.003 0.000 0.989 204 Q CA 2.294 58.100 55.803 0.005 0.000 0.872 204 Q CB -0.511 28.230 28.738 0.005 0.000 0.909 204 Q HN 0.822 nan 8.270 nan 0.000 0.420 205 Q N -1.270 118.529 119.800 -0.002 0.000 2.033 205 Q HA -0.067 4.273 4.340 -0.000 0.000 0.196 205 Q C 2.081 178.075 176.000 -0.010 0.000 0.970 205 Q CA 1.369 57.169 55.803 -0.005 0.000 0.828 205 Q CB -0.016 28.717 28.738 -0.008 0.000 0.895 205 Q HN 0.345 nan 8.270 nan 0.000 0.440 206 V N 0.755 120.658 119.914 -0.018 0.000 2.380 206 V HA -0.268 3.852 4.120 -0.000 0.000 0.251 206 V C 2.184 178.261 176.094 -0.028 0.000 1.063 206 V CA 2.024 64.305 62.300 -0.032 0.000 1.055 206 V CB -1.071 30.730 31.823 -0.037 0.000 0.657 206 V HN 0.659 nan 8.190 nan 0.000 0.455 207 G N -0.663 108.132 108.800 -0.009 0.000 2.480 207 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.216 207 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.216 207 G C 1.703 176.616 174.900 0.022 0.000 1.200 207 G CA 1.181 46.287 45.100 0.009 0.000 0.782 207 G HN 0.368 nan 8.290 nan 0.000 0.554 208 V N 0.694 120.621 119.914 0.020 0.000 2.287 208 V HA -0.181 3.939 4.120 -0.000 0.000 0.248 208 V C 2.723 178.838 176.094 0.035 0.000 1.053 208 V CA 2.452 64.770 62.300 0.030 0.000 1.027 208 V CB -0.376 31.460 31.823 0.022 0.000 0.646 208 V HN 0.436 nan 8.190 nan 0.000 0.447 209 E N -0.278 119.931 120.200 0.014 0.000 2.058 209 E HA -0.226 4.124 4.350 -0.000 0.000 0.194 209 E C 1.955 178.573 176.600 0.030 0.000 0.997 209 E CA 1.313 57.718 56.400 0.010 0.000 0.801 209 E CB -0.377 29.306 29.700 -0.028 0.000 0.746 209 E HN 0.346 nan 8.360 nan 0.000 0.450 210 L N 1.182 122.399 121.223 -0.011 0.000 1.970 210 L HA -0.222 4.118 4.340 -0.000 0.000 0.212 210 L C 2.017 178.979 176.870 0.153 0.000 1.071 210 L CA 1.820 56.634 54.840 -0.043 0.000 0.751 210 L CB -0.980 40.983 42.059 -0.161 0.000 0.889 210 L HN 0.240 nan 8.230 nan 0.000 0.432 211 N N -0.455 118.334 118.700 0.149 0.000 2.091 211 N HA -0.223 4.517 4.740 -0.000 0.000 0.193 211 N C 1.918 177.527 175.510 0.165 0.000 1.021 211 N CA 1.730 54.887 53.050 0.177 0.000 0.862 211 N CB -0.273 38.281 38.487 0.111 0.000 1.018 211 N HN 0.320 nan 8.380 nan 0.000 0.429 212 L N -0.387 120.919 121.223 0.139 0.000 1.989 212 L HA -0.233 4.107 4.340 -0.000 0.000 0.211 212 L C 2.370 179.357 176.870 0.194 0.000 1.071 212 L CA 1.324 56.243 54.840 0.131 0.000 0.749 212 L CB -0.754 41.368 42.059 0.106 0.000 0.890 212 L HN 0.173 nan 8.230 nan 0.000 0.431 213 Y N 0.502 120.857 120.300 0.093 0.000 2.193 213 Y HA -0.305 4.244 4.550 -0.000 0.000 0.285 213 Y C 2.303 178.306 175.900 0.172 0.000 1.166 213 Y CA 1.600 59.774 58.100 0.123 0.000 1.181 213 Y CB -0.267 38.263 38.460 0.117 0.000 0.976 213 Y HN 0.074 nan 8.280 nan 0.000 0.520 214 L N -0.254 121.077 121.223 0.180 0.000 2.027 214 L HA -0.111 4.229 4.340 -0.000 0.000 0.206 214 L C 2.671 179.515 176.870 -0.043 0.000 1.074 214 L CA 2.609 57.457 54.840 0.013 0.000 0.745 214 L CB -1.360 40.726 42.059 0.045 0.000 0.898 214 L HN 0.422 nan 8.230 nan 0.000 0.433 215 T N -2.669 111.892 114.554 0.011 0.000 2.915 215 T HA -0.197 4.152 4.350 -0.000 0.000 0.269 215 T C 1.756 176.443 174.700 -0.021 0.000 1.071 215 T CA 1.357 63.453 62.100 -0.007 0.000 1.132 215 T CB -0.397 68.478 68.868 0.012 0.000 0.878 215 T HN 0.603 nan 8.240 nan 0.000 0.479 216 E N 0.051 120.245 120.200 -0.009 0.000 2.015 216 E HA -0.110 4.239 4.350 -0.000 0.000 0.191 216 E C 2.200 178.761 176.600 -0.066 0.000 0.991 216 E CA 1.017 57.410 56.400 -0.013 0.000 0.802 216 E CB -0.322 29.417 29.700 0.066 0.000 0.759 216 E HN 0.405 nan 8.360 nan 0.000 0.447 217 L N 1.293 122.435 121.223 -0.136 0.000 2.021 217 L HA -0.226 4.114 4.340 -0.000 0.000 0.215 217 L C 2.768 179.639 176.870 0.001 0.000 1.074 217 L CA 2.761 57.538 54.840 -0.106 0.000 0.760 217 L CB -1.042 40.830 42.059 -0.311 0.000 0.889 217 L HN 0.473 nan 8.230 nan 0.000 0.433 218 T N -6.237 108.289 114.554 -0.047 0.000 2.951 218 T HA -0.118 4.232 4.350 -0.000 0.000 0.268 218 T C 1.792 176.467 174.700 -0.042 0.000 1.073 218 T CA 1.442 63.523 62.100 -0.031 0.000 1.134 218 T CB -0.681 68.156 68.868 -0.051 0.000 0.884 218 T HN 0.283 nan 8.240 nan 0.000 0.479 219 T N 1.642 116.158 114.554 -0.063 0.000 2.737 219 T HA 0.006 4.355 4.350 -0.000 0.000 0.265 219 T C 2.085 176.706 174.700 -0.130 0.000 1.038 219 T CA 1.182 63.233 62.100 -0.081 0.000 1.144 219 T CB -0.491 68.332 68.868 -0.074 0.000 0.866 219 T HN 0.225 nan 8.240 nan 0.000 0.434 220 V N 0.657 120.449 119.914 -0.202 0.000 2.223 220 V HA -0.061 4.059 4.120 -0.000 0.000 0.244 220 V C 1.235 177.030 176.094 -0.499 0.000 1.045 220 V CA 1.509 63.552 62.300 -0.429 0.000 1.000 220 V CB -0.516 30.897 31.823 -0.683 0.000 0.635 220 V HN 0.447 nan 8.190 nan 0.000 0.445 221 F N 0.812 120.735 119.950 -0.045 0.000 2.980 221 F HA 0.429 4.956 4.527 -0.000 0.000 0.299 221 F C 1.582 177.348 175.800 -0.057 0.000 1.211 221 F CA 0.126 58.099 58.000 -0.045 0.000 1.328 221 F CB -0.638 38.333 39.000 -0.047 0.000 1.154 221 F HN 0.062 nan 8.300 nan 0.000 0.528 222 G N 1.372 110.193 108.800 0.034 0.000 2.433 222 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.216 222 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.216 222 G C -0.541 174.365 174.900 0.009 0.000 1.186 222 G CA 0.729 45.833 45.100 0.006 0.000 0.779 222 G HN 0.275 nan 8.290 nan 0.000 0.543 223 P HA -0.094 nan 4.420 nan 0.000 0.213 223 P C 1.826 179.135 177.300 0.016 0.000 1.170 223 P CA 1.401 64.505 63.100 0.007 0.000 0.898 223 P CB -0.032 31.672 31.700 0.007 0.000 0.787 224 Q N -0.493 119.336 119.800 0.047 0.000 2.045 224 Q HA -0.152 4.188 4.340 -0.000 0.000 0.206 224 Q C 2.214 178.212 176.000 -0.003 0.000 0.991 224 Q CA 1.541 57.367 55.803 0.038 0.000 0.851 224 Q CB -1.331 27.457 28.738 0.085 0.000 0.911 224 Q HN 0.255 nan 8.270 nan 0.000 0.418 225 I N -0.511 120.059 120.570 -0.000 0.000 2.335 225 I HA -0.265 3.905 4.170 -0.000 0.000 0.251 225 I C 1.876 177.955 176.117 -0.064 0.000 1.129 225 I CA 1.272 62.538 61.300 -0.057 0.000 1.402 225 I CB -0.126 37.844 38.000 -0.050 0.000 1.069 225 I HN 0.216 nan 8.210 nan 0.000 0.424 226 T N -1.133 113.398 114.554 -0.037 0.000 3.081 226 T HA 0.083 4.433 4.350 -0.000 0.000 0.250 226 T C 0.400 175.081 174.700 -0.031 0.000 1.100 226 T CA 0.346 62.424 62.100 -0.038 0.000 1.038 226 T CB 0.020 68.870 68.868 -0.030 0.000 0.962 226 T HN 0.269 nan 8.240 nan 0.000 0.516 227 S N 0.380 116.065 115.700 -0.025 0.000 2.548 227 S HA 0.409 4.879 4.470 -0.000 0.000 0.278 227 S C -2.517 172.074 174.600 -0.014 0.000 1.150 227 S CA -1.030 57.158 58.200 -0.019 0.000 0.907 227 S CB 2.029 65.221 63.200 -0.013 0.000 1.108 227 S HN -0.117 nan 8.310 nan 0.000 0.459 228 P HA 0.152 nan 4.420 nan 0.000 0.226 228 P C 0.669 177.968 177.300 -0.001 0.000 1.153 228 P CA 0.500 63.596 63.100 -0.006 0.000 0.777 228 P CB -0.060 31.638 31.700 -0.004 0.000 0.794 229 A N 0.168 122.987 122.820 -0.001 0.000 2.250 229 A HA 0.424 4.744 4.320 -0.000 0.000 0.283 229 A C 0.310 177.896 177.584 0.003 0.000 1.206 229 A CA -0.629 51.409 52.037 0.001 0.000 0.840 229 A CB -0.367 18.634 19.000 0.000 0.000 1.220 229 A HN 0.048 nan 8.150 nan 0.000 0.505 230 L N 0.487 121.713 121.223 0.005 0.000 2.426 230 L HA 0.398 4.737 4.340 -0.000 0.000 0.271 230 L C -0.020 176.852 176.870 0.003 0.000 1.169 230 L CA 0.152 54.996 54.840 0.006 0.000 0.836 230 L CB 0.643 42.706 42.059 0.007 0.000 1.112 230 L HN 0.794 nan 8.230 nan 0.000 0.465 231 T N 0.435 114.992 114.554 0.004 0.000 2.894 231 T HA 0.223 4.573 4.350 -0.000 0.000 0.309 231 T C -0.661 174.038 174.700 -0.002 0.000 1.208 231 T CA -0.948 61.152 62.100 0.000 0.000 1.016 231 T CB 1.818 70.688 68.868 0.003 0.000 1.192 231 T HN 0.351 nan 8.240 nan 0.000 0.491 232 Q N 0.962 120.754 119.800 -0.012 0.000 2.349 232 Q HA 0.148 4.488 4.340 -0.000 0.000 0.287 232 Q C -0.798 175.194 176.000 -0.013 0.000 1.044 232 Q CA -0.125 55.666 55.803 -0.020 0.000 0.918 232 Q CB 0.460 29.180 28.738 -0.029 0.000 1.242 232 Q HN 0.478 nan 8.270 nan 0.000 0.405 233 L N 2.922 124.136 121.223 -0.014 0.000 2.305 233 L HA 0.174 4.513 4.340 -0.000 0.000 0.281 233 L C 0.489 177.341 176.870 -0.030 0.000 1.085 233 L CA 0.288 55.125 54.840 -0.006 0.000 0.813 233 L CB 1.169 43.232 42.059 0.006 0.000 1.157 233 L HN 0.695 nan 8.230 nan 0.000 0.436 234 T N 0.696 115.218 114.554 -0.054 0.000 2.856 234 T HA 0.073 4.423 4.350 -0.000 0.000 0.306 234 T C 1.374 176.034 174.700 -0.066 0.000 1.062 234 T CA -0.410 61.642 62.100 -0.080 0.000 1.083 234 T CB 0.534 69.320 68.868 -0.137 0.000 0.984 234 T HN 0.480 nan 8.240 nan 0.000 0.542 235 I N 1.849 122.383 120.570 -0.060 0.000 2.226 235 I HA -0.182 3.988 4.170 -0.000 0.000 0.245 235 I C 2.601 178.705 176.117 -0.022 0.000 1.100 235 I CA 1.456 62.737 61.300 -0.032 0.000 1.374 235 I CB -0.825 37.152 38.000 -0.038 0.000 1.057 235 I HN 0.750 nan 8.210 nan 0.000 0.413 236 Q N 1.014 120.764 119.800 -0.083 0.000 2.112 236 Q HA -0.234 4.106 4.340 -0.000 0.000 0.206 236 Q C 2.298 178.268 176.000 -0.051 0.000 0.987 236 Q CA 2.109 57.854 55.803 -0.096 0.000 0.858 236 Q CB -1.429 27.204 28.738 -0.175 0.000 0.905 236 Q HN 0.604 nan 8.270 nan 0.000 0.420 237 A N 1.412 124.153 122.820 -0.131 0.000 1.898 237 A HA -0.116 4.204 4.320 -0.000 0.000 0.216 237 A C 2.204 179.825 177.584 0.063 0.000 1.181 237 A CA 1.297 53.289 52.037 -0.075 0.000 0.620 237 A CB -0.664 18.276 19.000 -0.100 0.000 0.819 237 A HN 0.296 nan 8.150 nan 0.000 0.442 238 L N -1.374 119.881 121.223 0.053 0.000 2.012 238 L HA -0.192 4.147 4.340 -0.000 0.000 0.210 238 L C 2.258 179.187 176.870 0.098 0.000 1.073 238 L CA 2.497 57.375 54.840 0.064 0.000 0.748 238 L CB -1.139 40.947 42.059 0.044 0.000 0.891 238 L HN 0.531 nan 8.230 nan 0.000 0.431 239 Y N 0.705 121.003 120.300 -0.004 0.000 2.053 239 Y HA -0.366 4.184 4.550 -0.000 0.000 0.277 239 Y C 2.791 178.711 175.900 0.032 0.000 1.159 239 Y CA 2.449 60.555 58.100 0.010 0.000 1.125 239 Y CB -0.586 37.872 38.460 -0.004 0.000 0.969 239 Y HN 0.524 nan 8.280 nan 0.000 0.492 240 N N 0.901 119.750 118.700 0.248 0.000 2.036 240 N HA -0.247 4.492 4.740 -0.000 0.000 0.195 240 N C 2.006 177.565 175.510 0.081 0.000 1.037 240 N CA 2.029 55.183 53.050 0.173 0.000 0.855 240 N CB -0.774 37.835 38.487 0.203 0.000 1.033 240 N HN 0.504 nan 8.380 nan 0.000 0.423 241 L N 1.332 122.611 121.223 0.093 0.000 2.043 241 L HA -0.053 4.286 4.340 -0.000 0.000 0.212 241 L C 2.052 178.940 176.870 0.031 0.000 1.075 241 L CA 2.262 57.144 54.840 0.071 0.000 0.752 241 L CB -1.143 40.960 42.059 0.073 0.000 0.891 241 L HN 0.293 nan 8.230 nan 0.000 0.432 242 A N -0.749 122.061 122.820 -0.017 0.000 2.276 242 A HA 0.389 4.708 4.320 -0.000 0.000 0.212 242 A C 1.491 179.028 177.584 -0.078 0.000 1.230 242 A CA 0.461 52.479 52.037 -0.032 0.000 0.844 242 A CB -1.565 17.387 19.000 -0.079 0.000 0.860 242 A HN 0.880 nan 8.150 nan 0.000 0.486 243 G N -1.154 107.597 108.800 -0.082 0.000 2.395 243 G HA2 0.072 4.032 3.960 -0.000 0.000 0.300 243 G HA3 0.072 4.032 3.960 -0.000 0.000 0.300 243 G C 1.524 176.288 174.900 -0.226 0.000 0.998 243 G CA 0.877 45.922 45.100 -0.092 0.000 1.046 243 G HN 2.018 nan 8.290 nan 0.000 0.513 244 G N -0.206 108.249 108.800 -0.575 0.000 2.413 244 G HA2 -0.430 3.530 3.960 -0.000 0.000 0.259 244 G HA3 -0.430 3.530 3.960 -0.000 0.000 0.259 244 G C 0.767 175.324 174.900 -0.572 0.000 1.003 244 G CA 1.051 45.565 45.100 -0.977 0.000 0.629 244 G HN 1.674 nan 8.290 nan 0.000 0.548 245 N N 0.675 119.210 118.700 -0.276 0.000 3.124 245 N HA 0.385 5.125 4.740 -0.000 0.000 0.284 245 N C 1.497 176.981 175.510 -0.043 0.000 1.209 245 N CA 0.183 53.177 53.050 -0.093 0.000 1.149 245 N CB 0.084 38.568 38.487 -0.006 0.000 1.434 245 N HN 0.290 nan 8.380 nan 0.000 0.529 246 M N 1.070 120.616 119.600 -0.090 0.000 2.108 246 M HA -0.143 4.337 4.480 -0.000 0.000 0.261 246 M C 1.112 177.421 176.300 0.015 0.000 1.066 246 M CA 1.652 56.934 55.300 -0.029 0.000 1.107 246 M CB -0.244 32.375 32.600 0.031 0.000 1.356 246 M HN 0.296 nan 8.290 nan 0.000 0.406 247 D N -1.321 119.104 120.400 0.041 0.000 2.158 247 D HA -0.237 4.403 4.640 -0.000 0.000 0.197 247 D C 1.841 178.189 176.300 0.080 0.000 0.995 247 D CA 1.504 55.536 54.000 0.053 0.000 0.846 247 D CB -0.480 40.355 40.800 0.060 0.000 0.941 247 D HN 0.506 nan 8.370 nan 0.000 0.456 248 Y N 1.524 121.809 120.300 -0.026 0.000 2.089 248 Y HA -0.197 4.353 4.550 -0.000 0.000 0.282 248 Y C 2.256 178.145 175.900 -0.018 0.000 1.139 248 Y CA 1.023 59.110 58.100 -0.023 0.000 1.123 248 Y CB -0.931 37.509 38.460 -0.034 0.000 0.980 248 Y HN -0.078 nan 8.280 nan 0.000 0.493 249 L N 0.311 121.350 121.223 -0.306 0.000 1.951 249 L HA -0.284 4.056 4.340 -0.000 0.000 0.222 249 L C 2.465 179.180 176.870 -0.259 0.000 1.078 249 L CA 2.317 56.932 54.840 -0.375 0.000 0.778 249 L CB -1.207 40.760 42.059 -0.154 0.000 0.893 249 L HN 0.402 nan 8.230 nan 0.000 0.436 250 L N -1.236 119.910 121.223 -0.128 0.000 2.034 250 L HA -0.354 3.986 4.340 -0.000 0.000 0.217 250 L C 2.476 179.294 176.870 -0.088 0.000 1.077 250 L CA 2.149 56.943 54.840 -0.077 0.000 0.769 250 L CB -1.461 40.581 42.059 -0.029 0.000 0.890 250 L HN 0.401 nan 8.230 nan 0.000 0.435 251 T N -0.491 114.005 114.554 -0.096 0.000 2.721 251 T HA -0.191 4.159 4.350 -0.000 0.000 0.268 251 T C 1.931 176.566 174.700 -0.108 0.000 1.038 251 T CA 1.379 63.436 62.100 -0.072 0.000 1.145 251 T CB -0.050 68.801 68.868 -0.029 0.000 0.858 251 T HN 0.252 nan 8.240 nan 0.000 0.459 252 K N 0.695 120.963 120.400 -0.221 0.000 2.116 252 K HA 0.162 4.482 4.320 -0.000 0.000 0.203 252 K C 2.237 178.772 176.600 -0.109 0.000 1.052 252 K CA 0.636 56.808 56.287 -0.192 0.000 0.952 252 K CB -0.405 31.897 32.500 -0.330 0.000 0.729 252 K HN 0.385 nan 8.250 nan 0.000 0.446 253 L N -0.268 120.893 121.223 -0.103 0.000 2.275 253 L HA -0.092 4.248 4.340 -0.000 0.000 0.215 253 L C 1.666 178.529 176.870 -0.012 0.000 1.119 253 L CA 1.170 55.978 54.840 -0.052 0.000 0.790 253 L CB -0.392 41.635 42.059 -0.054 0.000 0.919 253 L HN 0.476 nan 8.230 nan 0.000 0.443 254 G N -0.584 108.208 108.800 -0.013 0.000 2.313 254 G HA2 -0.255 3.704 3.960 -0.000 0.000 0.215 254 G HA3 -0.255 3.704 3.960 -0.000 0.000 0.215 254 G C 0.416 175.332 174.900 0.027 0.000 1.023 254 G CA 0.017 45.126 45.100 0.014 0.000 0.626 254 G HN 0.163 nan 8.290 nan 0.000 0.503 255 V N 0.171 120.104 119.914 0.032 0.000 3.214 255 V HA 0.905 5.025 4.120 -0.000 0.000 0.306 255 V C 0.994 177.103 176.094 0.026 0.000 1.078 255 V CA 0.166 62.493 62.300 0.045 0.000 1.077 255 V CB 1.245 33.111 31.823 0.072 0.000 1.121 255 V HN 1.374 nan 8.190 nan 0.000 0.468 256 G N -0.015 108.803 108.800 0.031 0.000 2.644 256 G HA2 0.405 4.365 3.960 -0.000 0.000 0.307 256 G HA3 0.405 4.365 3.960 -0.000 0.000 0.307 256 G C 0.014 174.930 174.900 0.027 0.000 1.250 256 G CA -0.612 44.502 45.100 0.024 0.000 0.996 256 G HN 0.716 nan 8.290 nan 0.000 0.489 257 N N 0.674 119.388 118.700 0.024 0.000 2.132 257 N HA -0.206 4.534 4.740 -0.000 0.000 0.191 257 N C 1.928 177.454 175.510 0.027 0.000 1.015 257 N CA 1.844 54.910 53.050 0.026 0.000 0.864 257 N CB -0.098 38.404 38.487 0.025 0.000 1.006 257 N HN 0.625 nan 8.380 nan 0.000 0.430 258 N N 0.342 119.058 118.700 0.025 0.000 2.635 258 N HA -0.155 4.584 4.740 -0.000 0.000 0.191 258 N C 0.684 176.214 175.510 0.033 0.000 1.155 258 N CA 0.942 54.006 53.050 0.024 0.000 0.927 258 N CB -0.153 38.345 38.487 0.018 0.000 0.976 258 N HN 0.466 nan 8.380 nan 0.000 0.448 259 Q N -1.159 118.669 119.800 0.046 0.000 2.164 259 Q HA 0.230 4.569 4.340 -0.000 0.000 0.226 259 Q C 1.085 177.131 176.000 0.076 0.000 0.813 259 Q CA -0.389 55.461 55.803 0.079 0.000 0.978 259 Q CB 0.282 29.084 28.738 0.107 0.000 1.149 259 Q HN 0.173 nan 8.270 nan 0.000 0.489 260 L N 0.491 121.740 121.223 0.043 0.000 1.989 260 L HA -0.167 4.173 4.340 -0.000 0.000 0.211 260 L C 2.205 179.086 176.870 0.019 0.000 1.071 260 L CA 2.468 57.323 54.840 0.026 0.000 0.749 260 L CB -0.967 41.106 42.059 0.023 0.000 0.890 260 L HN 0.159 nan 8.230 nan 0.000 0.431 261 S N -1.719 113.995 115.700 0.023 0.000 2.368 261 S HA -0.233 4.237 4.470 -0.000 0.000 0.225 261 S C 2.288 176.904 174.600 0.027 0.000 1.030 261 S CA 1.853 60.063 58.200 0.016 0.000 0.999 261 S CB -0.737 62.471 63.200 0.015 0.000 0.844 261 S HN 0.656 nan 8.310 nan 0.000 0.459 262 S N 0.472 116.208 115.700 0.061 0.000 2.353 262 S HA -0.099 4.370 4.470 -0.000 0.000 0.222 262 S C 1.821 176.491 174.600 0.118 0.000 1.035 262 S CA 1.519 59.794 58.200 0.124 0.000 1.025 262 S CB -0.809 62.500 63.200 0.181 0.000 0.902 262 S HN 0.487 nan 8.310 nan 0.000 0.440 263 L N 2.050 123.303 121.223 0.050 0.000 1.971 263 L HA -0.103 4.237 4.340 -0.000 0.000 0.215 263 L C 2.252 179.027 176.870 -0.159 0.000 1.072 263 L CA 1.788 56.524 54.840 -0.174 0.000 0.758 263 L CB -0.691 41.288 42.059 -0.133 0.000 0.889 263 L HN 0.359 nan 8.230 nan 0.000 0.433 264 I N -1.068 119.454 120.570 -0.079 0.000 2.145 264 I HA -0.387 3.783 4.170 -0.000 0.000 0.244 264 I C 2.736 178.813 176.117 -0.066 0.000 1.075 264 I CA 2.016 63.276 61.300 -0.067 0.000 1.332 264 I CB -1.717 36.261 38.000 -0.037 0.000 1.033 264 I HN 0.425 nan 8.210 nan 0.000 0.410 265 S N 0.431 116.107 115.700 -0.041 0.000 2.370 265 S HA -0.225 4.245 4.470 -0.000 0.000 0.226 265 S C 2.391 176.964 174.600 -0.046 0.000 1.033 265 S CA 2.215 60.398 58.200 -0.029 0.000 1.011 265 S CB -0.431 62.768 63.200 -0.001 0.000 0.852 265 S HN 0.597 nan 8.310 nan 0.000 0.457 266 S N 0.593 116.249 115.700 -0.074 0.000 2.389 266 S HA -0.089 4.381 4.470 -0.000 0.000 0.231 266 S C 1.709 176.227 174.600 -0.136 0.000 1.052 266 S CA 2.444 60.567 58.200 -0.128 0.000 1.053 266 S CB -1.326 61.639 63.200 -0.393 0.000 0.886 266 S HN 1.780 nan 8.310 nan 0.000 0.456 267 G N -0.048 108.667 108.800 -0.141 0.000 2.157 267 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.239 267 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.239 267 G C 0.603 175.427 174.900 -0.128 0.000 0.982 267 G CA 0.423 45.460 45.100 -0.105 0.000 0.650 267 G HN 0.557 nan 8.290 nan 0.000 0.527 268 L N -0.041 121.054 121.223 -0.213 0.000 2.217 268 L HA 0.264 4.603 4.340 -0.000 0.000 0.211 268 L C 1.493 178.284 176.870 -0.132 0.000 1.107 268 L CA 0.765 55.473 54.840 -0.221 0.000 0.783 268 L CB -0.025 41.782 42.059 -0.421 0.000 0.919 268 L HN 0.319 nan 8.230 nan 0.000 0.442 269 I N 0.802 121.299 120.570 -0.122 0.000 2.281 269 I HA 0.087 4.257 4.170 -0.000 0.000 0.293 269 I C 0.350 176.442 176.117 -0.042 0.000 1.085 269 I CA -0.090 61.167 61.300 -0.072 0.000 1.257 269 I CB 0.515 38.473 38.000 -0.070 0.000 1.430 269 I HN 0.114 nan 8.210 nan 0.000 0.489 270 T N 1.971 116.512 114.554 -0.022 0.000 2.907 270 T HA 0.890 5.239 4.350 -0.000 0.000 0.290 270 T C -0.260 174.447 174.700 0.012 0.000 1.066 270 T CA -0.855 61.242 62.100 -0.006 0.000 1.012 270 T CB 2.407 71.271 68.868 -0.007 0.000 1.184 270 T HN 0.580 nan 8.240 nan 0.000 0.522 271 G N 0.759 109.572 108.800 0.021 0.000 2.690 271 G HA2 0.682 4.642 3.960 -0.000 0.000 0.291 271 G HA3 0.682 4.642 3.960 -0.000 0.000 0.291 271 G C -1.792 173.125 174.900 0.027 0.000 1.403 271 G CA -1.047 44.072 45.100 0.032 0.000 0.864 271 G HN 1.159 nan 8.290 nan 0.000 0.480 272 N N 0.208 118.922 118.700 0.023 0.000 2.405 272 N HA 0.442 5.182 4.740 -0.000 0.000 0.274 272 N C -3.497 172.017 175.510 0.006 0.000 1.170 272 N CA -1.475 51.583 53.050 0.014 0.000 0.848 272 N CB 3.086 41.579 38.487 0.010 0.000 1.629 272 N HN 0.341 nan 8.380 nan 0.000 0.481 273 P HA 0.228 nan 4.420 nan 0.000 0.271 273 P C 0.352 177.655 177.300 0.004 0.000 1.216 273 P CA -0.297 62.797 63.100 -0.010 0.000 0.771 273 P CB 0.848 32.534 31.700 -0.023 0.000 0.864 274 I N 0.327 120.902 120.570 0.008 0.000 4.219 274 I HA 0.466 4.636 4.170 -0.000 0.000 0.329 274 I C -0.706 175.426 176.117 0.024 0.000 1.427 274 I CA -0.466 60.843 61.300 0.015 0.000 1.151 274 I CB 0.736 38.742 38.000 0.010 0.000 1.369 274 I HN 0.102 nan 8.210 nan 0.000 0.521 275 L N 1.356 122.603 121.223 0.040 0.000 2.643 275 L HA 0.562 4.902 4.340 -0.000 0.000 0.257 275 L C -2.504 174.446 176.870 0.133 0.000 0.922 275 L CA -0.547 54.327 54.840 0.057 0.000 0.909 275 L CB 1.892 43.967 42.059 0.028 0.000 1.424 275 L HN 0.196 nan 8.230 nan 0.000 0.422 276 Y N 4.240 124.524 120.300 -0.027 0.000 2.441 276 Y HA 0.382 4.932 4.550 -0.000 0.000 0.345 276 Y C -1.123 174.765 175.900 -0.019 0.000 1.129 276 Y CA -1.327 56.756 58.100 -0.029 0.000 1.333 276 Y CB 0.571 39.013 38.460 -0.030 0.000 1.104 276 Y HN 0.774 nan 8.280 nan 0.000 0.551 277 D N 3.101 123.329 120.400 -0.287 0.000 2.348 277 D HA 0.022 4.661 4.640 -0.000 0.000 0.259 277 D C 1.210 177.139 176.300 -0.617 0.000 1.296 277 D CA 0.971 54.756 54.000 -0.358 0.000 0.931 277 D CB 1.149 41.864 40.800 -0.141 0.000 1.067 277 D HN 0.657 nan 8.370 nan 0.000 0.503 278 S N 2.992 118.186 115.700 -0.844 0.000 2.399 278 S HA -0.258 4.212 4.470 -0.000 0.000 0.231 278 S C 1.672 176.141 174.600 -0.219 0.000 1.022 278 S CA 1.214 59.018 58.200 -0.660 0.000 0.983 278 S CB -0.072 62.870 63.200 -0.429 0.000 0.803 278 S HN 0.634 nan 8.310 nan 0.000 0.480 279 Q N 0.860 120.558 119.800 -0.170 0.000 2.020 279 Q HA -0.057 4.283 4.340 -0.000 0.000 0.198 279 Q C 1.754 177.732 176.000 -0.037 0.000 0.974 279 Q CA 1.817 57.576 55.803 -0.074 0.000 0.829 279 Q CB -0.519 28.181 28.738 -0.063 0.000 0.894 279 Q HN 0.583 nan 8.270 nan 0.000 0.433 280 T N 0.674 115.200 114.554 -0.047 0.000 3.055 280 T HA -0.018 4.332 4.350 -0.000 0.000 0.265 280 T C -0.272 174.447 174.700 0.030 0.000 1.111 280 T CA 0.400 62.496 62.100 -0.007 0.000 1.118 280 T CB 0.135 68.995 68.868 -0.013 0.000 0.909 280 T HN 0.332 nan 8.240 nan 0.000 0.501 281 Q N 0.078 119.895 119.800 0.029 0.000 2.456 281 Q HA -0.131 4.209 4.340 -0.000 0.000 0.325 281 Q C -1.056 175.030 176.000 0.144 0.000 1.453 281 Q CA 0.231 56.116 55.803 0.136 0.000 0.848 281 Q CB -1.765 27.070 28.738 0.162 0.000 1.123 281 Q HN 0.399 nan 8.270 nan 0.000 0.374 282 L N 1.125 122.422 121.223 0.124 0.000 2.385 282 L HA 0.682 5.022 4.340 -0.000 0.000 0.273 282 L C -1.175 175.789 176.870 0.157 0.000 0.990 282 L CA -0.807 54.093 54.840 0.098 0.000 0.821 282 L CB 1.701 43.783 42.059 0.039 0.000 1.279 282 L HN 0.329 nan 8.230 nan 0.000 0.412 283 L N 3.900 125.167 121.223 0.073 0.000 2.333 283 L HA 0.844 5.183 4.340 -0.000 0.000 0.280 283 L C -0.098 176.743 176.870 -0.048 0.000 1.004 283 L CA -0.109 54.748 54.840 0.028 0.000 0.820 283 L CB 1.770 43.772 42.059 -0.095 0.000 1.247 283 L HN 0.635 nan 8.230 nan 0.000 0.416 284 G N 6.322 115.111 108.800 -0.019 0.000 2.603 284 G HA2 0.505 4.465 3.960 -0.000 0.000 0.324 284 G HA3 0.505 4.465 3.960 -0.000 0.000 0.324 284 G C -0.529 174.346 174.900 -0.042 0.000 1.178 284 G CA -0.322 44.757 45.100 -0.035 0.000 1.023 284 G HN 0.576 nan 8.290 nan 0.000 0.482 285 I N 0.890 121.416 120.570 -0.073 0.000 2.532 285 I HA 0.282 4.451 4.170 -0.000 0.000 0.292 285 I C 0.293 176.407 176.117 -0.005 0.000 1.014 285 I CA -0.458 60.819 61.300 -0.040 0.000 1.340 285 I CB 1.974 39.945 38.000 -0.049 0.000 1.422 285 I HN 0.355 nan 8.210 nan 0.000 0.528 286 Q N 5.653 125.459 119.800 0.010 0.000 2.363 286 Q HA 0.421 4.761 4.340 -0.000 0.000 0.265 286 Q C -1.579 174.436 176.000 0.025 0.000 1.032 286 Q CA -0.589 55.224 55.803 0.017 0.000 0.746 286 Q CB 1.647 30.392 28.738 0.013 0.000 1.237 286 Q HN 0.476 nan 8.270 nan 0.000 0.475 287 V N 2.955 122.888 119.914 0.032 0.000 2.834 287 V HA 0.385 4.505 4.120 -0.000 0.000 0.301 287 V C 0.054 176.160 176.094 0.021 0.000 1.066 287 V CA -0.107 62.212 62.300 0.032 0.000 1.052 287 V CB 1.790 33.638 31.823 0.042 0.000 1.021 287 V HN 0.820 nan 8.190 nan 0.000 0.480 288 T N 5.395 119.959 114.554 0.015 0.000 2.963 288 T HA 0.559 4.908 4.350 -0.000 0.000 0.328 288 T C -0.572 174.130 174.700 0.003 0.000 1.048 288 T CA -0.230 61.877 62.100 0.012 0.000 1.033 288 T CB 0.415 69.293 68.868 0.015 0.000 1.010 288 T HN 0.309 nan 8.240 nan 0.000 0.469 289 L N 5.989 127.212 121.223 -0.000 0.000 2.322 289 L HA 0.571 4.911 4.340 -0.000 0.000 0.279 289 L C -1.853 175.018 176.870 0.001 0.000 1.036 289 L CA -2.155 52.677 54.840 -0.014 0.000 0.807 289 L CB 1.270 43.315 42.059 -0.024 0.000 1.226 289 L HN 0.322 nan 8.230 nan 0.000 0.433 290 P HA 0.095 nan 4.420 nan 0.000 0.282 290 P C -0.822 176.507 177.300 0.048 0.000 1.287 290 P CA -0.549 62.583 63.100 0.053 0.000 0.792 290 P CB 1.324 33.030 31.700 0.010 0.000 1.163 291 S N 0.021 115.781 115.700 0.099 0.000 2.216 291 S HA 0.221 4.691 4.470 -0.000 0.000 0.156 291 S C -0.648 174.025 174.600 0.122 0.000 1.665 291 S CA -0.699 57.544 58.200 0.071 0.000 1.262 291 S CB -0.828 62.400 63.200 0.046 0.000 1.207 291 S HN 0.347 nan 8.310 nan 0.000 0.427 292 V N 3.987 123.983 119.914 0.138 0.000 2.521 292 V HA 0.738 4.858 4.120 -0.000 0.000 0.286 292 V C 0.526 176.704 176.094 0.140 0.000 1.034 292 V CA 0.516 62.941 62.300 0.210 0.000 1.045 292 V CB 0.617 32.603 31.823 0.272 0.000 0.974 292 V HN 0.748 nan 8.190 nan 0.000 0.480 293 G N 6.237 115.114 108.800 0.128 0.000 2.955 293 G HA2 0.197 4.157 3.960 -0.000 0.000 0.336 293 G HA3 0.197 4.157 3.960 -0.000 0.000 0.336 293 G C -0.056 174.881 174.900 0.062 0.000 1.264 293 G CA -0.632 44.511 45.100 0.073 0.000 1.096 293 G HN 0.913 nan 8.290 nan 0.000 0.486 294 N N 3.525 122.256 118.700 0.051 0.000 2.411 294 N HA 0.018 4.758 4.740 -0.000 0.000 0.261 294 N C 0.243 175.757 175.510 0.006 0.000 1.248 294 N CA -0.032 53.031 53.050 0.021 0.000 0.885 294 N CB 0.700 39.194 38.487 0.012 0.000 1.062 294 N HN 0.243 nan 8.380 nan 0.000 0.471 295 L N 2.580 123.799 121.223 -0.006 0.000 2.452 295 L HA 0.124 4.464 4.340 -0.000 0.000 0.267 295 L C 0.814 177.675 176.870 -0.015 0.000 1.188 295 L CA -0.301 54.531 54.840 -0.013 0.000 0.821 295 L CB 0.303 42.349 42.059 -0.023 0.000 1.102 295 L HN 0.570 nan 8.230 nan 0.000 0.470 296 N N 2.193 120.884 118.700 -0.014 0.000 2.400 296 N HA 0.195 4.934 4.740 -0.000 0.000 0.288 296 N C -0.152 175.350 175.510 -0.014 0.000 1.024 296 N CA -0.210 52.833 53.050 -0.012 0.000 0.894 296 N CB 1.046 39.528 38.487 -0.008 0.000 1.173 296 N HN 0.542 nan 8.380 nan 0.000 0.487 297 N N 0.126 118.819 118.700 -0.012 0.000 2.800 297 N HA -0.239 4.500 4.740 -0.000 0.000 0.250 297 N C -0.346 175.155 175.510 -0.015 0.000 1.078 297 N CA 0.670 53.714 53.050 -0.010 0.000 0.804 297 N CB -1.070 37.412 38.487 -0.008 0.000 1.135 297 N HN 0.603 nan 8.380 nan 0.000 0.565 298 M N 0.605 120.193 119.600 -0.020 0.000 2.363 298 M HA 0.362 4.842 4.480 -0.000 0.000 0.343 298 M C -0.754 175.532 176.300 -0.023 0.000 1.165 298 M CA -0.233 55.051 55.300 -0.026 0.000 1.046 298 M CB 1.210 33.789 32.600 -0.035 0.000 1.648 298 M HN -0.016 nan 8.290 nan 0.000 0.452 299 R N 2.944 123.432 120.500 -0.021 0.000 2.522 299 R HA 0.577 4.917 4.340 -0.000 0.000 0.283 299 R C -1.424 174.868 176.300 -0.013 0.000 1.074 299 R CA -0.741 55.353 56.100 -0.011 0.000 0.925 299 R CB 2.091 32.392 30.300 0.001 0.000 1.205 299 R HN 0.833 nan 8.270 nan 0.000 0.436 300 A N 1.708 124.524 122.820 -0.007 0.000 2.327 300 A HA 0.604 4.924 4.320 -0.000 0.000 0.283 300 A C -0.337 177.254 177.584 0.012 0.000 1.127 300 A CA -0.093 51.921 52.037 -0.037 0.000 0.810 300 A CB 0.887 19.852 19.000 -0.059 0.000 1.066 300 A HN 0.562 nan 8.150 nan 0.000 0.492 301 T N 2.260 116.790 114.554 -0.039 0.000 2.890 301 T HA 0.443 4.793 4.350 -0.000 0.000 0.295 301 T C -1.272 173.423 174.700 -0.007 0.000 0.993 301 T CA -0.022 62.107 62.100 0.048 0.000 0.979 301 T CB 0.298 69.187 68.868 0.035 0.000 0.967 301 T HN 0.379 nan 8.240 nan 0.000 0.441 302 Y N 3.012 123.314 120.300 0.003 0.000 2.359 302 Y HA 0.466 5.016 4.550 -0.000 0.000 0.334 302 Y C 0.454 176.356 175.900 0.004 0.000 1.058 302 Y CA -0.884 57.219 58.100 0.005 0.000 1.244 302 Y CB 0.305 38.767 38.460 0.004 0.000 1.187 302 Y HN 0.411 nan 8.280 nan 0.000 0.510 303 L N 3.062 124.342 121.223 0.094 0.000 2.330 303 L HA 0.674 5.013 4.340 -0.000 0.000 0.271 303 L C -0.324 176.580 176.870 0.056 0.000 1.013 303 L CA -0.958 53.918 54.840 0.061 0.000 0.816 303 L CB 2.140 44.211 42.059 0.020 0.000 1.287 303 L HN 0.493 nan 8.230 nan 0.000 0.435 304 E N 0.129 120.352 120.200 0.037 0.000 2.429 304 E HA 0.651 5.001 4.350 -0.000 0.000 0.276 304 E C -1.483 175.119 176.600 0.004 0.000 0.953 304 E CA -0.463 55.951 56.400 0.024 0.000 0.787 304 E CB 2.477 32.195 29.700 0.030 0.000 1.307 304 E HN 0.596 nan 8.360 nan 0.000 0.458 305 T N 0.185 114.735 114.554 -0.007 0.000 3.071 305 T HA 0.513 4.863 4.350 -0.000 0.000 0.311 305 T C -0.908 173.785 174.700 -0.012 0.000 1.042 305 T CA -0.961 61.128 62.100 -0.018 0.000 1.028 305 T CB 0.393 69.233 68.868 -0.046 0.000 1.068 305 T HN 0.226 nan 8.240 nan 0.000 0.451 306 L N 2.009 123.233 121.223 0.002 0.000 2.399 306 L HA 0.484 4.824 4.340 -0.000 0.000 0.265 306 L C 0.846 177.730 176.870 0.023 0.000 1.089 306 L CA -0.476 54.369 54.840 0.007 0.000 0.802 306 L CB 1.479 43.551 42.059 0.022 0.000 1.180 306 L HN 0.828 nan 8.230 nan 0.000 0.454 307 S N 1.194 116.906 115.700 0.020 0.000 2.503 307 S HA 0.143 4.613 4.470 -0.000 0.000 0.317 307 S C 0.186 174.827 174.600 0.068 0.000 1.162 307 S CA -0.188 58.037 58.200 0.043 0.000 1.124 307 S CB 0.184 63.391 63.200 0.012 0.000 1.207 307 S HN 0.354 nan 8.310 nan 0.000 0.538 308 V N 3.639 123.626 119.914 0.121 0.000 3.083 308 V HA 0.262 4.382 4.120 -0.000 0.000 0.306 308 V C 1.080 177.246 176.094 0.121 0.000 1.077 308 V CA 0.318 62.696 62.300 0.129 0.000 1.073 308 V CB 1.879 33.828 31.823 0.209 0.000 1.081 308 V HN 0.853 nan 8.190 nan 0.000 0.474 309 S N 1.225 116.970 115.700 0.075 0.000 2.338 309 S HA 0.063 4.533 4.470 -0.000 0.000 0.197 309 S C 1.307 175.922 174.600 0.024 0.000 0.990 309 S CA 1.018 59.258 58.200 0.067 0.000 0.920 309 S CB -0.092 63.135 63.200 0.045 0.000 0.903 309 S HN 1.075 nan 8.310 nan 0.000 0.542 310 T N 1.573 116.124 114.554 -0.005 0.000 13.218 310 T HA -0.343 4.007 4.350 -0.000 0.000 0.419 310 T C 1.761 176.407 174.700 -0.091 0.000 1.441 310 T CA 3.222 65.280 62.100 -0.069 0.000 2.361 310 T CB -2.241 66.516 68.868 -0.185 0.000 2.810 310 T HN 0.714 nan 8.240 nan 0.000 0.629 311 T N 2.293 116.737 114.554 -0.184 0.000 2.759 311 T HA 0.007 4.357 4.350 -0.000 0.000 0.269 311 T C 0.659 175.333 174.700 -0.044 0.000 1.042 311 T CA 1.996 64.010 62.100 -0.144 0.000 1.140 311 T CB -0.473 68.281 68.868 -0.191 0.000 0.864 311 T HN 1.129 nan 8.240 nan 0.000 0.455 312 K N -1.893 118.529 120.400 0.036 0.000 2.894 312 K HA 0.378 4.697 4.320 -0.000 0.000 0.293 312 K C 0.600 177.368 176.600 0.279 0.000 1.091 312 K CA -0.581 55.804 56.287 0.164 0.000 0.865 312 K CB 0.171 32.736 32.500 0.108 0.000 1.441 312 K HN -0.095 nan 8.250 nan 0.000 0.361 313 G N 0.636 109.619 108.800 0.306 0.000 2.687 313 G HA2 -0.028 3.931 3.960 -0.000 0.000 0.209 313 G HA3 -0.028 3.931 3.960 -0.000 0.000 0.209 313 G C 0.054 174.994 174.900 0.066 0.000 1.146 313 G CA 0.361 45.537 45.100 0.126 0.000 0.787 313 G HN 0.404 nan 8.290 nan 0.000 0.532 314 F N 0.796 120.760 119.950 0.024 0.000 2.714 314 F HA 0.471 4.998 4.527 -0.000 0.000 0.294 314 F C 1.933 177.769 175.800 0.059 0.000 1.120 314 F CA -0.844 57.175 58.000 0.032 0.000 1.398 314 F CB -0.288 38.726 39.000 0.024 0.000 1.120 314 F HN 0.150 nan 8.300 nan 0.000 0.589 315 A N 0.010 122.991 122.820 0.269 0.000 2.475 315 A HA 0.395 4.715 4.320 -0.000 0.000 0.239 315 A C 0.584 178.332 177.584 0.273 0.000 1.087 315 A CA 0.642 52.850 52.037 0.283 0.000 0.779 315 A CB -0.015 19.131 19.000 0.243 0.000 1.036 315 A HN 0.184 nan 8.150 nan 0.000 0.506 316 S N -0.594 115.302 115.700 0.327 0.000 2.243 316 S HA 0.453 4.923 4.470 -0.000 0.000 0.296 316 S C -0.296 174.247 174.600 -0.095 0.000 0.803 316 S CA -0.088 58.172 58.200 0.100 0.000 0.898 316 S CB -0.634 62.603 63.200 0.063 0.000 1.230 316 S HN 2.225 nan 8.310 nan 0.000 0.420 317 A N 3.969 126.504 122.820 -0.474 0.000 2.567 317 A HA 0.445 4.764 4.320 -0.000 0.000 0.236 317 A C -0.255 177.169 177.584 -0.266 0.000 1.088 317 A CA 0.319 51.944 52.037 -0.687 0.000 0.776 317 A CB 0.078 18.644 19.000 -0.724 0.000 1.033 317 A HN 0.792 nan 8.150 nan 0.000 0.513 318 L N 1.564 122.664 121.223 -0.204 0.000 2.342 318 L HA 0.582 4.922 4.340 -0.000 0.000 0.276 318 L C -0.124 176.701 176.870 -0.074 0.000 0.997 318 L CA -0.138 54.646 54.840 -0.093 0.000 0.838 318 L CB 0.490 42.521 42.059 -0.046 0.000 1.224 318 L HN 0.794 nan 8.230 nan 0.000 0.416 319 V N 2.149 122.029 119.914 -0.056 0.000 3.178 319 V HA 0.773 4.892 4.120 -0.000 0.000 0.302 319 V C -2.620 173.462 176.094 -0.020 0.000 1.262 319 V CA -1.788 60.492 62.300 -0.033 0.000 1.030 319 V CB 1.539 33.339 31.823 -0.039 0.000 1.074 319 V HN 0.529 nan 8.190 nan 0.000 0.438 320 P HA 0.406 nan 4.420 nan 0.000 0.272 320 P C 0.151 177.441 177.300 -0.016 0.000 1.254 320 P CA -0.360 62.736 63.100 -0.007 0.000 0.795 320 P CB 0.661 32.361 31.700 -0.000 0.000 1.022 321 K N -0.691 119.697 120.400 -0.020 0.000 2.323 321 K HA 0.176 4.496 4.320 -0.000 0.000 0.197 321 K C -0.386 176.162 176.600 -0.086 0.000 1.043 321 K CA 0.540 56.816 56.287 -0.018 0.000 0.997 321 K CB 0.369 32.873 32.500 0.007 0.000 0.807 321 K HN 0.172 nan 8.250 nan 0.000 0.497 322 V N 1.307 121.131 119.914 -0.150 0.000 2.817 322 V HA 0.281 4.401 4.120 -0.000 0.000 0.303 322 V C -0.997 174.986 176.094 -0.185 0.000 1.151 322 V CA -1.206 60.905 62.300 -0.315 0.000 0.929 322 V CB 1.805 33.315 31.823 -0.522 0.000 1.030 322 V HN -0.081 nan 8.190 nan 0.000 0.427 323 V N 0.276 120.092 119.914 -0.164 0.000 2.760 323 V HA 0.878 4.998 4.120 -0.000 0.000 0.309 323 V C -0.418 175.618 176.094 -0.096 0.000 1.077 323 V CA -0.288 61.953 62.300 -0.098 0.000 0.910 323 V CB 1.652 33.445 31.823 -0.051 0.000 1.008 323 V HN 0.886 nan 8.190 nan 0.000 0.424 324 T N 3.235 117.735 114.554 -0.089 0.000 2.923 324 T HA 0.806 5.156 4.350 -0.000 0.000 0.281 324 T C -0.669 173.991 174.700 -0.066 0.000 0.995 324 T CA 0.039 62.094 62.100 -0.075 0.000 0.985 324 T CB 1.600 70.419 68.868 -0.082 0.000 1.114 324 T HN 1.367 nan 8.240 nan 0.000 0.548 325 Q N 0.162 119.930 119.800 -0.054 0.000 2.503 325 Q HA 0.575 4.914 4.340 -0.000 0.000 0.268 325 Q C -2.280 173.696 176.000 -0.040 0.000 0.982 325 Q CA -1.012 54.760 55.803 -0.053 0.000 0.907 325 Q CB 1.315 30.033 28.738 -0.033 0.000 1.467 325 Q HN 0.377 nan 8.270 nan 0.000 0.394 326 V N 2.697 122.584 119.914 -0.045 0.000 2.380 326 V HA 0.703 4.823 4.120 -0.000 0.000 0.272 326 V C 0.784 176.864 176.094 -0.024 0.000 1.011 326 V CA 0.460 62.740 62.300 -0.032 0.000 0.826 326 V CB 0.091 31.891 31.823 -0.039 0.000 1.040 326 V HN 1.209 nan 8.190 nan 0.000 0.441 327 G N 4.467 113.262 108.800 -0.009 0.000 2.498 327 G HA2 -0.288 3.671 3.960 -0.000 0.000 0.251 327 G HA3 -0.288 3.671 3.960 -0.000 0.000 0.251 327 G C 1.189 176.099 174.900 0.017 0.000 1.170 327 G CA 0.711 45.814 45.100 0.005 0.000 0.944 327 G HN 1.303 nan 8.290 nan 0.000 0.567 328 S N -0.302 115.414 115.700 0.027 0.000 2.423 328 S HA 0.204 4.674 4.470 -0.000 0.000 0.231 328 S C 1.358 175.940 174.600 -0.031 0.000 1.014 328 S CA 1.475 59.717 58.200 0.069 0.000 0.965 328 S CB -0.478 62.779 63.200 0.095 0.000 0.785 328 S HN 1.663 nan 8.310 nan 0.000 0.495 329 V N 2.295 122.154 119.914 -0.092 0.000 2.585 329 V HA 0.331 4.450 4.120 -0.000 0.000 0.296 329 V C 0.093 176.058 176.094 -0.215 0.000 1.035 329 V CA 0.091 62.276 62.300 -0.192 0.000 1.084 329 V CB -0.182 31.565 31.823 -0.126 0.000 0.953 329 V HN 0.449 nan 8.190 nan 0.000 0.483 330 I N 4.240 124.602 120.570 -0.347 0.000 2.603 330 I HA 0.382 4.552 4.170 -0.000 0.000 0.276 330 I C -0.085 175.911 176.117 -0.202 0.000 1.133 330 I CA -0.149 61.009 61.300 -0.237 0.000 1.070 330 I CB 1.130 39.020 38.000 -0.184 0.000 1.215 330 I HN 0.732 nan 8.210 nan 0.000 0.487 331 E N 3.453 123.572 120.200 -0.135 0.000 2.281 331 E HA 0.418 4.767 4.350 -0.000 0.000 0.257 331 E C -0.696 175.870 176.600 -0.057 0.000 0.971 331 E CA -0.955 55.390 56.400 -0.091 0.000 0.839 331 E CB 1.987 31.630 29.700 -0.095 0.000 1.238 331 E HN 0.384 nan 8.360 nan 0.000 0.412 332 E N 1.161 121.356 120.200 -0.008 0.000 2.313 332 E HA 0.196 4.545 4.350 -0.000 0.000 0.276 332 E C -1.129 175.452 176.600 -0.031 0.000 1.031 332 E CA -0.271 56.140 56.400 0.020 0.000 0.857 332 E CB 0.721 30.500 29.700 0.130 0.000 1.040 332 E HN 0.287 nan 8.360 nan 0.000 0.408 333 L N 4.081 125.270 121.223 -0.056 0.000 2.307 333 L HA 0.240 4.579 4.340 -0.000 0.000 0.282 333 L C -0.545 176.310 176.870 -0.024 0.000 1.051 333 L CA -0.548 54.240 54.840 -0.088 0.000 0.804 333 L CB 1.235 43.226 42.059 -0.113 0.000 1.197 333 L HN 0.602 nan 8.230 nan 0.000 0.431 334 D N 2.339 122.728 120.400 -0.018 0.000 2.500 334 D HA 0.038 4.678 4.640 -0.000 0.000 0.219 334 D C 1.283 177.669 176.300 0.143 0.000 1.137 334 D CA -0.252 53.820 54.000 0.120 0.000 0.946 334 D CB 0.974 41.895 40.800 0.201 0.000 1.022 334 D HN 0.642 nan 8.370 nan 0.000 0.518 335 T N -0.445 114.154 114.554 0.075 0.000 3.025 335 T HA -0.211 4.139 4.350 -0.000 0.000 0.270 335 T C 1.898 176.650 174.700 0.088 0.000 1.126 335 T CA 1.089 63.238 62.100 0.081 0.000 1.105 335 T CB -0.374 68.527 68.868 0.054 0.000 0.884 335 T HN 0.260 nan 8.240 nan 0.000 0.522 336 S N 1.170 116.885 115.700 0.026 0.000 2.423 336 S HA -0.201 4.269 4.470 -0.000 0.000 0.238 336 S C 0.951 175.431 174.600 -0.200 0.000 1.028 336 S CA 0.668 58.780 58.200 -0.146 0.000 1.000 336 S CB -1.035 61.966 63.200 -0.332 0.000 0.797 336 S HN 0.742 nan 8.310 nan 0.000 0.487 337 Y N 1.183 121.511 120.300 0.046 0.000 2.746 337 Y HA 0.508 5.058 4.550 -0.000 0.000 0.312 337 Y C 0.222 176.178 175.900 0.094 0.000 1.117 337 Y CA -1.228 56.905 58.100 0.055 0.000 1.324 337 Y CB -0.521 37.954 38.460 0.024 0.000 1.173 337 Y HN 0.260 nan 8.280 nan 0.000 0.529 338 c N 0.558 119.284 118.600 0.211 0.000 2.686 338 c HA 0.514 5.084 4.570 -0.000 0.000 0.318 338 c C 0.175 174.370 174.090 0.174 0.000 1.160 338 c CA -1.575 54.883 56.329 0.216 0.000 1.396 338 c CB 0.745 43.360 42.510 0.175 0.000 1.924 338 c HN 0.260 nan 8.230 nan 0.000 0.471 339 I N 2.212 122.895 120.570 0.188 0.000 2.496 339 I HA 0.196 4.365 4.170 -0.000 0.000 0.285 339 I C 0.559 176.759 176.117 0.138 0.000 1.080 339 I CA 0.547 61.923 61.300 0.126 0.000 1.404 339 I CB 0.556 38.599 38.000 0.070 0.000 1.403 339 I HN 0.719 nan 8.210 nan 0.000 0.539 340 E N 5.615 125.876 120.200 0.102 0.000 2.063 340 E HA 0.257 4.607 4.350 -0.000 0.000 0.265 340 E C -0.761 175.870 176.600 0.053 0.000 0.919 340 E CA -0.402 56.050 56.400 0.087 0.000 0.756 340 E CB 0.955 30.709 29.700 0.090 0.000 1.120 340 E HN 0.565 nan 8.360 nan 0.000 0.414 341 T N 3.034 117.628 114.554 0.068 0.000 2.847 341 T HA -0.007 4.342 4.350 -0.000 0.000 0.279 341 T C 0.865 175.562 174.700 -0.006 0.000 0.984 341 T CA -0.556 61.576 62.100 0.054 0.000 0.988 341 T CB 1.264 70.216 68.868 0.139 0.000 1.040 341 T HN 0.550 nan 8.240 nan 0.000 0.528 342 D N 0.252 120.643 120.400 -0.014 0.000 2.087 342 D HA -0.098 4.542 4.640 -0.000 0.000 0.192 342 D C 1.806 178.081 176.300 -0.041 0.000 0.993 342 D CA 1.443 55.417 54.000 -0.042 0.000 0.828 342 D CB 0.237 41.020 40.800 -0.029 0.000 0.968 342 D HN 0.170 nan 8.370 nan 0.000 0.448 343 L N 0.100 121.312 121.223 -0.019 0.000 2.375 343 L HA 0.161 4.501 4.340 -0.000 0.000 0.215 343 L C -0.077 176.766 176.870 -0.045 0.000 1.108 343 L CA 0.890 55.717 54.840 -0.022 0.000 0.830 343 L CB 0.007 42.062 42.059 -0.007 0.000 0.959 343 L HN -0.081 nan 8.230 nan 0.000 0.457 344 D N -2.322 118.037 120.400 -0.068 0.000 2.547 344 D HA 0.522 5.162 4.640 -0.000 0.000 0.231 344 D C -1.378 174.786 176.300 -0.226 0.000 1.099 344 D CA -0.370 53.508 54.000 -0.204 0.000 0.901 344 D CB 2.338 42.898 40.800 -0.401 0.000 1.478 344 D HN -0.335 nan 8.370 nan 0.000 0.471 345 L N 2.135 123.178 121.223 -0.300 0.000 2.316 345 L HA 0.380 4.720 4.340 -0.000 0.000 0.280 345 L C -1.512 175.194 176.870 -0.273 0.000 1.006 345 L CA -0.485 54.263 54.840 -0.154 0.000 0.836 345 L CB 0.562 42.607 42.059 -0.022 0.000 1.221 345 L HN 0.393 nan 8.230 nan 0.000 0.418 346 Y N 3.496 123.821 120.300 0.042 0.000 2.676 346 Y HA 0.347 4.897 4.550 -0.000 0.000 0.338 346 Y C 0.338 176.390 175.900 0.253 0.000 1.057 346 Y CA -0.418 57.715 58.100 0.055 0.000 1.314 346 Y CB 0.403 38.735 38.460 -0.214 0.000 1.164 346 Y HN 0.475 nan 8.280 nan 0.000 0.509 347 c N 0.408 119.233 118.600 0.375 0.000 2.351 347 c HA 0.315 4.884 4.570 -0.000 0.000 0.359 347 c C 1.793 176.022 174.090 0.231 0.000 1.193 347 c CA -0.520 55.999 56.329 0.317 0.000 2.270 347 c CB 1.477 44.077 42.510 0.150 0.000 2.369 347 c HN 0.840 nan 8.230 nan 0.000 0.553 348 T N -0.113 114.492 114.554 0.086 0.000 3.044 348 T HA 0.180 4.529 4.350 -0.000 0.000 0.250 348 T C 0.691 175.321 174.700 -0.117 0.000 1.081 348 T CA 0.729 62.739 62.100 -0.151 0.000 1.040 348 T CB -0.166 68.634 68.868 -0.114 0.000 0.962 348 T HN 0.727 nan 8.240 nan 0.000 0.506 349 R N -0.074 120.371 120.500 -0.091 0.000 2.829 349 R HA 0.463 4.803 4.340 -0.000 0.000 0.267 349 R C -1.970 174.227 176.300 -0.170 0.000 1.051 349 R CA -0.676 55.309 56.100 -0.191 0.000 0.927 349 R CB 1.002 31.075 30.300 -0.378 0.000 1.292 349 R HN 0.169 nan 8.270 nan 0.000 0.445 350 I N 2.594 123.033 120.570 -0.219 0.000 2.595 350 I HA 0.215 4.385 4.170 -0.000 0.000 0.276 350 I C -0.643 175.321 176.117 -0.254 0.000 1.109 350 I CA -0.420 60.773 61.300 -0.178 0.000 1.084 350 I CB 1.714 39.638 38.000 -0.127 0.000 1.206 350 I HN 0.167 nan 8.210 nan 0.000 0.486 351 V N 5.497 125.225 119.914 -0.310 0.000 2.407 351 V HA 0.603 4.722 4.120 -0.000 0.000 0.278 351 V C 0.544 176.353 176.094 -0.476 0.000 1.037 351 V CA -0.071 61.995 62.300 -0.389 0.000 0.900 351 V CB 1.837 33.443 31.823 -0.362 0.000 0.983 351 V HN 0.844 nan 8.190 nan 0.000 0.459 352 T N 2.007 116.179 114.554 -0.637 0.000 2.841 352 T HA 0.828 5.178 4.350 -0.000 0.000 0.296 352 T C -1.157 172.991 174.700 -0.921 0.000 1.166 352 T CA -0.616 61.073 62.100 -0.686 0.000 1.007 352 T CB 1.969 70.649 68.868 -0.314 0.000 1.253 352 T HN 0.146 nan 8.240 nan 0.000 0.511 353 F N -0.012 119.920 119.950 -0.030 0.000 2.599 353 F HA 0.714 5.241 4.527 -0.000 0.000 0.311 353 F C -2.617 173.160 175.800 -0.038 0.000 1.076 353 F CA -2.502 55.481 58.000 -0.028 0.000 0.937 353 F CB 1.578 40.568 39.000 -0.016 0.000 1.282 353 F HN 0.402 nan 8.300 nan 0.000 0.460 354 P HA 0.461 nan 4.420 nan 0.000 0.276 354 P C -0.946 176.395 177.300 0.068 0.000 1.252 354 P CA -0.551 62.586 63.100 0.060 0.000 0.802 354 P CB 0.740 32.464 31.700 0.041 0.000 1.035 355 M N -1.565 118.056 119.600 0.036 0.000 2.690 355 M HA 0.514 4.994 4.480 -0.000 0.000 0.302 355 M C 0.105 176.437 176.300 0.052 0.000 1.234 355 M CA -1.110 54.217 55.300 0.044 0.000 0.853 355 M CB 1.602 34.228 32.600 0.044 0.000 1.748 355 M HN 0.134 nan 8.290 nan 0.000 0.469 356 S N 0.731 116.461 115.700 0.050 0.000 2.558 356 S HA 0.108 4.578 4.470 -0.000 0.000 0.291 356 S C -1.813 172.838 174.600 0.085 0.000 1.306 356 S CA -0.608 57.624 58.200 0.054 0.000 1.056 356 S CB 0.218 63.443 63.200 0.041 0.000 0.836 356 S HN 0.559 nan 8.310 nan 0.000 0.504 357 P HA 0.026 nan 4.420 nan 0.000 0.221 357 P C 1.424 178.776 177.300 0.086 0.000 1.145 357 P CA 1.204 64.371 63.100 0.112 0.000 0.795 357 P CB -0.240 31.506 31.700 0.077 0.000 0.775 358 G N -0.110 108.726 108.800 0.061 0.000 2.394 358 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.214 358 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.214 358 G C 1.436 176.366 174.900 0.051 0.000 1.176 358 G CA 0.319 45.444 45.100 0.042 0.000 0.786 358 G HN 0.116 nan 8.290 nan 0.000 0.533 359 I N 0.211 120.822 120.570 0.068 0.000 2.099 359 I HA -0.188 3.982 4.170 -0.000 0.000 0.239 359 I C 2.470 178.665 176.117 0.129 0.000 1.066 359 I CA 1.241 62.586 61.300 0.074 0.000 1.324 359 I CB -1.245 36.795 38.000 0.067 0.000 1.037 359 I HN 0.232 nan 8.210 nan 0.000 0.401 360 Y N 1.744 122.047 120.300 0.006 0.000 2.151 360 Y HA -0.295 4.255 4.550 -0.000 0.000 0.284 360 Y C 3.010 178.915 175.900 0.008 0.000 1.166 360 Y CA 1.626 59.730 58.100 0.006 0.000 1.163 360 Y CB -0.903 37.562 38.460 0.007 0.000 0.974 360 Y HN 0.113 nan 8.280 nan 0.000 0.511 361 S N -0.945 114.686 115.700 -0.115 0.000 2.353 361 S HA -0.259 4.211 4.470 -0.000 0.000 0.222 361 S C 2.463 176.995 174.600 -0.114 0.000 1.035 361 S CA 1.551 59.618 58.200 -0.221 0.000 1.025 361 S CB -1.286 61.849 63.200 -0.109 0.000 0.902 361 S HN 0.729 nan 8.310 nan 0.000 0.440 362 c N 1.412 119.996 118.600 -0.026 0.000 2.440 362 c HA -0.020 4.550 4.570 -0.000 0.000 0.282 362 c C 2.534 176.628 174.090 0.007 0.000 1.223 362 c CA 1.243 57.572 56.329 0.000 0.000 1.744 362 c CB -1.706 40.814 42.510 0.017 0.000 2.061 362 c HN 0.703 nan 8.230 nan 0.000 0.456 363 L N 1.549 122.794 121.223 0.037 0.000 2.137 363 L HA -0.121 4.218 4.340 -0.000 0.000 0.213 363 L C 1.645 178.549 176.870 0.057 0.000 1.085 363 L CA 1.798 56.671 54.840 0.056 0.000 0.760 363 L CB -0.725 41.388 42.059 0.091 0.000 0.893 363 L HN 0.595 nan 8.230 nan 0.000 0.434 364 S N -0.413 115.305 115.700 0.030 0.000 3.940 364 S HA 0.509 4.978 4.470 -0.000 0.000 0.210 364 S C 1.045 175.615 174.600 -0.051 0.000 1.419 364 S CA -0.172 58.024 58.200 -0.006 0.000 0.912 364 S CB 0.487 63.623 63.200 -0.106 0.000 1.489 364 S HN 0.570 nan 8.310 nan 0.000 0.469 365 G N 2.878 111.670 108.800 -0.013 0.000 4.655 365 G HA2 -0.386 3.574 3.960 -0.000 0.000 0.220 365 G HA3 -0.386 3.574 3.960 -0.000 0.000 0.220 365 G C 0.335 175.226 174.900 -0.014 0.000 1.403 365 G CA 0.129 45.221 45.100 -0.013 0.000 0.931 365 G HN 0.849 nan 8.290 nan 0.000 0.654 366 N N 1.530 120.209 118.700 -0.034 0.000 2.305 366 N HA 0.227 4.966 4.740 -0.000 0.000 0.232 366 N C 1.010 176.523 175.510 0.006 0.000 1.274 366 N CA 1.681 54.718 53.050 -0.020 0.000 0.870 366 N CB 0.706 39.169 38.487 -0.041 0.000 1.105 366 N HN 0.447 nan 8.380 nan 0.000 0.436 367 T N 0.342 114.912 114.554 0.026 0.000 2.989 367 T HA 0.004 4.353 4.350 -0.000 0.000 0.250 367 T C 1.746 176.497 174.700 0.085 0.000 0.981 367 T CA 0.271 62.407 62.100 0.059 0.000 0.980 367 T CB -0.280 68.628 68.868 0.066 0.000 1.133 367 T HN 0.573 nan 8.240 nan 0.000 0.489 368 S N 1.938 117.671 115.700 0.055 0.000 2.359 368 S HA -0.130 4.340 4.470 -0.000 0.000 0.224 368 S C 2.459 177.101 174.600 0.069 0.000 1.035 368 S CA 1.631 59.864 58.200 0.055 0.000 1.018 368 S CB -0.590 62.625 63.200 0.026 0.000 0.876 368 S HN 0.514 nan 8.310 nan 0.000 0.448 369 A N 0.576 123.422 122.820 0.045 0.000 1.958 369 A HA -0.133 4.186 4.320 -0.000 0.000 0.221 369 A C 1.565 179.192 177.584 0.072 0.000 1.178 369 A CA 1.235 53.297 52.037 0.041 0.000 0.642 369 A CB -1.752 17.255 19.000 0.011 0.000 0.816 369 A HN 0.645 nan 8.150 nan 0.000 0.453 370 c N 0.717 119.376 118.600 0.099 0.000 2.465 370 c HA 0.206 4.776 4.570 -0.000 0.000 0.402 370 c C 0.610 174.828 174.090 0.214 0.000 1.448 370 c CA 0.380 56.779 56.329 0.116 0.000 1.589 370 c CB -1.410 41.186 42.510 0.143 0.000 2.535 370 c HN 0.568 nan 8.230 nan 0.000 0.600 371 M N 6.046 125.717 119.600 0.118 0.000 2.072 371 M HA 0.364 4.844 4.480 -0.000 0.000 0.331 371 M C -0.774 175.621 176.300 0.158 0.000 1.004 371 M CA -0.257 55.153 55.300 0.183 0.000 0.952 371 M CB 0.808 33.461 32.600 0.090 0.000 1.511 371 M HN 0.560 nan 8.290 nan 0.000 0.422 372 Y N 0.965 121.278 120.300 0.022 0.000 2.378 372 Y HA 0.719 5.269 4.550 -0.000 0.000 0.351 372 Y C 1.041 176.958 175.900 0.029 0.000 1.351 372 Y CA -0.747 57.371 58.100 0.029 0.000 1.616 372 Y CB 0.748 39.229 38.460 0.036 0.000 1.622 372 Y HN 0.785 nan 8.280 nan 0.000 0.568 373 S N -0.820 115.007 115.700 0.211 0.000 2.654 373 S HA 0.502 4.972 4.470 -0.000 0.000 0.267 373 S C -2.095 172.589 174.600 0.139 0.000 1.151 373 S CA -1.172 57.108 58.200 0.133 0.000 0.873 373 S CB 0.970 64.218 63.200 0.080 0.000 1.181 373 S HN 0.625 nan 8.310 nan 0.000 0.489 374 K N 0.704 121.173 120.400 0.115 0.000 3.050 374 K HA 0.420 4.739 4.320 -0.000 0.000 0.185 374 K C -0.273 176.377 176.600 0.082 0.000 1.147 374 K CA -0.640 55.722 56.287 0.124 0.000 0.916 374 K CB 0.444 33.069 32.500 0.209 0.000 1.119 374 K HN 0.490 nan 8.250 nan 0.000 0.605 375 T N -0.859 113.726 114.554 0.052 0.000 3.054 375 T HA -0.014 4.336 4.350 -0.000 0.000 0.259 375 T C 0.520 175.232 174.700 0.021 0.000 1.092 375 T CA 0.357 62.476 62.100 0.032 0.000 1.121 375 T CB 0.008 68.888 68.868 0.020 0.000 0.912 375 T HN 0.350 nan 8.240 nan 0.000 0.489 376 E N 1.138 121.348 120.200 0.017 0.000 2.438 376 E HA 0.441 4.791 4.350 -0.000 0.000 0.261 376 E C 0.675 177.271 176.600 -0.006 0.000 1.103 376 E CA 0.354 56.753 56.400 -0.002 0.000 0.959 376 E CB 0.217 29.910 29.700 -0.011 0.000 0.958 376 E HN 0.390 nan 8.360 nan 0.000 0.447 377 G N -0.158 108.631 108.800 -0.019 0.000 2.705 377 G HA2 0.487 4.447 3.960 -0.000 0.000 0.299 377 G HA3 0.487 4.447 3.960 -0.000 0.000 0.299 377 G C 0.492 175.371 174.900 -0.036 0.000 1.315 377 G CA -0.122 44.966 45.100 -0.021 0.000 1.045 377 G HN 0.556 nan 8.290 nan 0.000 0.517 378 A N -0.712 122.088 122.820 -0.033 0.000 1.902 378 A HA 0.010 4.329 4.320 -0.000 0.000 0.217 378 A C 2.186 179.745 177.584 -0.040 0.000 1.181 378 A CA 1.097 53.109 52.037 -0.041 0.000 0.623 378 A CB -0.528 18.454 19.000 -0.030 0.000 0.818 378 A HN 0.454 nan 8.150 nan 0.000 0.443 379 L N 0.722 121.925 121.223 -0.033 0.000 2.552 379 L HA -0.009 4.330 4.340 -0.000 0.000 0.227 379 L C 1.356 178.194 176.870 -0.053 0.000 1.146 379 L CA 0.655 55.474 54.840 -0.034 0.000 0.858 379 L CB -1.011 41.032 42.059 -0.026 0.000 0.969 379 L HN 0.548 nan 8.230 nan 0.000 0.451 380 T N -1.457 113.060 114.554 -0.062 0.000 2.817 380 T HA 0.029 4.379 4.350 -0.000 0.000 0.295 380 T C 0.446 175.069 174.700 -0.127 0.000 0.958 380 T CA -0.307 61.740 62.100 -0.088 0.000 1.157 380 T CB 0.864 69.688 68.868 -0.073 0.000 0.898 380 T HN 0.118 nan 8.240 nan 0.000 0.536 381 T N 5.467 119.891 114.554 -0.217 0.000 2.901 381 T HA 0.278 4.628 4.350 -0.000 0.000 0.301 381 T C -0.854 173.628 174.700 -0.362 0.000 1.012 381 T CA -1.612 60.252 62.100 -0.394 0.000 1.135 381 T CB 0.530 68.894 68.868 -0.840 0.000 0.936 381 T HN 0.664 nan 8.240 nan 0.000 0.539 382 P HA 0.111 nan 4.420 nan 0.000 0.245 382 P C -0.787 176.536 177.300 0.038 0.000 1.212 382 P CA 0.197 63.276 63.100 -0.035 0.000 0.774 382 P CB -0.372 31.371 31.700 0.071 0.000 0.999 383 Y N -0.676 119.620 120.300 -0.007 0.000 2.346 383 Y HA 0.577 5.127 4.550 -0.000 0.000 0.332 383 Y C 0.520 176.418 175.900 -0.002 0.000 0.985 383 Y CA -1.889 56.208 58.100 -0.004 0.000 1.112 383 Y CB 0.598 39.054 38.460 -0.006 0.000 1.170 383 Y HN -0.218 nan 8.280 nan 0.000 0.447 384 M N 1.799 121.439 119.600 0.066 0.000 2.248 384 M HA 0.841 5.321 4.480 -0.000 0.000 0.215 384 M C -0.923 175.439 176.300 0.104 0.000 1.103 384 M CA -0.327 54.990 55.300 0.029 0.000 1.154 384 M CB 1.472 34.077 32.600 0.008 0.000 1.218 384 M HN 0.619 nan 8.290 nan 0.000 0.623 385 T N 0.869 115.460 114.554 0.063 0.000 2.896 385 T HA 0.764 5.114 4.350 -0.000 0.000 0.297 385 T C -1.871 172.849 174.700 0.034 0.000 1.108 385 T CA -0.577 61.560 62.100 0.062 0.000 1.004 385 T CB 1.929 70.833 68.868 0.060 0.000 1.159 385 T HN 0.604 nan 8.240 nan 0.000 0.499 386 L N 2.758 123.997 121.223 0.026 0.000 2.905 386 L HA 0.400 4.740 4.340 -0.000 0.000 0.260 386 L C -0.812 176.063 176.870 0.008 0.000 0.933 386 L CA -0.450 54.398 54.840 0.013 0.000 1.034 386 L CB 0.874 42.941 42.059 0.015 0.000 1.550 386 L HN 0.775 nan 8.230 nan 0.000 0.480 387 K N 4.622 125.022 120.400 0.000 0.000 3.540 387 K HA -0.187 4.133 4.320 -0.000 0.000 0.274 387 K C 1.113 177.716 176.600 0.005 0.000 0.890 387 K CA 1.022 57.309 56.287 -0.002 0.000 0.701 387 K CB -1.486 31.011 32.500 -0.006 0.000 1.523 387 K HN 1.421 nan 8.250 nan 0.000 0.450 388 G N -0.984 107.821 108.800 0.009 0.000 2.417 388 G HA2 -0.418 3.541 3.960 -0.000 0.000 0.233 388 G HA3 -0.418 3.541 3.960 -0.000 0.000 0.233 388 G C 0.352 175.260 174.900 0.012 0.000 1.103 388 G CA 0.559 45.666 45.100 0.012 0.000 0.647 388 G HN 0.926 nan 8.290 nan 0.000 0.512 389 S N -0.942 114.766 115.700 0.012 0.000 2.646 389 S HA 0.752 5.221 4.470 -0.000 0.000 0.273 389 S C 0.060 174.673 174.600 0.022 0.000 1.168 389 S CA 0.261 58.469 58.200 0.013 0.000 1.013 389 S CB 1.979 65.187 63.200 0.012 0.000 1.098 389 S HN 1.913 nan 8.310 nan 0.000 0.544 390 V N 0.871 120.800 119.914 0.025 0.000 2.568 390 V HA 0.469 4.589 4.120 -0.000 0.000 0.276 390 V C -0.997 175.126 176.094 0.048 0.000 1.002 390 V CA -0.747 61.580 62.300 0.044 0.000 0.879 390 V CB 0.285 32.129 31.823 0.035 0.000 1.040 390 V HN 0.894 nan 8.190 nan 0.000 0.457 391 I N 5.933 126.537 120.570 0.057 0.000 2.634 391 I HA 0.703 4.872 4.170 -0.000 0.000 0.284 391 I C 0.676 176.844 176.117 0.085 0.000 1.124 391 I CA 0.993 62.326 61.300 0.054 0.000 1.417 391 I CB 1.379 39.406 38.000 0.045 0.000 1.396 391 I HN 0.903 nan 8.210 nan 0.000 0.571 392 A N 4.832 127.695 122.820 0.073 0.000 2.608 392 A HA 0.377 4.697 4.320 -0.000 0.000 0.292 392 A C -0.976 176.646 177.584 0.064 0.000 1.066 392 A CA -0.722 51.377 52.037 0.104 0.000 0.676 392 A CB 1.271 20.339 19.000 0.112 0.000 1.277 392 A HN 0.620 nan 8.150 nan 0.000 0.413 393 N N 1.383 120.126 118.700 0.072 0.000 2.868 393 N HA 0.103 4.842 4.740 -0.000 0.000 0.252 393 N C 0.663 176.189 175.510 0.027 0.000 1.130 393 N CA -0.218 52.855 53.050 0.039 0.000 1.026 393 N CB -0.104 38.405 38.487 0.037 0.000 1.335 393 N HN 0.526 nan 8.380 nan 0.000 0.516 394 c N 1.789 120.394 118.600 0.009 0.000 2.413 394 c HA -0.065 4.505 4.570 -0.000 0.000 0.292 394 c C 2.327 176.404 174.090 -0.022 0.000 1.435 394 c CA 0.420 56.745 56.329 -0.008 0.000 1.791 394 c CB -0.869 41.630 42.510 -0.018 0.000 1.784 394 c HN 0.665 nan 8.230 nan 0.000 0.548 395 K N 0.693 121.074 120.400 -0.031 0.000 2.031 395 K HA 0.049 4.368 4.320 -0.000 0.000 0.205 395 K C 2.063 178.646 176.600 -0.028 0.000 1.049 395 K CA 1.329 57.585 56.287 -0.051 0.000 0.939 395 K CB -0.254 32.198 32.500 -0.079 0.000 0.717 395 K HN 0.269 nan 8.250 nan 0.000 0.438 396 M N 1.060 120.654 119.600 -0.010 0.000 2.460 396 M HA -0.044 4.436 4.480 -0.000 0.000 0.263 396 M C -0.114 176.191 176.300 0.009 0.000 1.071 396 M CA 1.155 56.455 55.300 -0.000 0.000 1.096 396 M CB -0.420 32.187 32.600 0.011 0.000 1.408 396 M HN 0.308 nan 8.290 nan 0.000 0.463 397 T N -2.920 111.642 114.554 0.012 0.000 2.885 397 T HA 0.257 4.606 4.350 -0.000 0.000 0.322 397 T C -0.206 174.488 174.700 -0.011 0.000 1.387 397 T CA -1.073 61.034 62.100 0.010 0.000 1.041 397 T CB 1.614 70.506 68.868 0.040 0.000 1.287 397 T HN 0.217 nan 8.240 nan 0.000 0.491 398 T N -0.593 113.950 114.554 -0.019 0.000 2.902 398 T HA 0.287 4.636 4.350 -0.000 0.000 0.301 398 T C 0.265 174.937 174.700 -0.047 0.000 1.012 398 T CA -0.524 61.558 62.100 -0.029 0.000 1.151 398 T CB -0.653 68.199 68.868 -0.025 0.000 0.946 398 T HN 0.832 nan 8.240 nan 0.000 0.542 399 c N 5.489 124.062 118.600 -0.045 0.000 2.717 399 c HA 0.426 4.996 4.570 -0.000 0.000 0.306 399 c C 1.044 175.105 174.090 -0.049 0.000 1.225 399 c CA -0.861 55.433 56.329 -0.059 0.000 1.658 399 c CB -1.547 40.933 42.510 -0.049 0.000 1.714 399 c HN 0.872 nan 8.230 nan 0.000 0.463 400 R N 0.576 121.046 120.500 -0.050 0.000 2.438 400 R HA 0.279 4.619 4.340 -0.000 0.000 0.287 400 R C -0.183 176.092 176.300 -0.041 0.000 1.077 400 R CA 0.187 56.263 56.100 -0.039 0.000 1.034 400 R CB 0.644 30.924 30.300 -0.035 0.000 0.993 400 R HN 0.653 nan 8.270 nan 0.000 0.459 401 c N 4.622 123.203 118.600 -0.032 0.000 2.317 401 c HA 0.401 4.971 4.570 -0.000 0.000 0.306 401 c C 1.591 175.665 174.090 -0.026 0.000 1.087 401 c CA -0.535 55.776 56.329 -0.031 0.000 1.529 401 c CB -0.573 41.921 42.510 -0.027 0.000 1.880 401 c HN 0.958 nan 8.230 nan 0.000 0.417 402 A N 3.461 126.265 122.820 -0.026 0.000 1.986 402 A HA -0.151 4.169 4.320 -0.000 0.000 0.220 402 A C 1.723 179.295 177.584 -0.019 0.000 1.171 402 A CA 2.379 54.403 52.037 -0.021 0.000 0.640 402 A CB -0.405 18.582 19.000 -0.021 0.000 0.811 402 A HN 0.893 nan 8.150 nan 0.000 0.451 403 D N -0.286 120.102 120.400 -0.020 0.000 1.850 403 D HA 0.061 4.700 4.640 -0.000 0.000 0.296 403 D C -2.029 174.261 176.300 -0.017 0.000 1.035 403 D CA -0.376 53.612 54.000 -0.019 0.000 0.860 403 D CB -0.794 39.994 40.800 -0.021 0.000 1.144 403 D HN 0.101 nan 8.370 nan 0.000 0.423 404 P HA 0.178 nan 4.420 nan 0.000 0.264 404 P C -2.391 174.901 177.300 -0.014 0.000 1.236 404 P CA -0.571 62.520 63.100 -0.014 0.000 0.811 404 P CB 0.837 32.529 31.700 -0.013 0.000 0.840 405 P HA 0.209 nan 4.420 nan 0.000 0.273 405 P C 0.272 177.565 177.300 -0.012 0.000 1.252 405 P CA 0.627 63.719 63.100 -0.013 0.000 0.809 405 P CB 0.348 32.041 31.700 -0.011 0.000 1.017 406 G N -1.039 107.753 108.800 -0.013 0.000 2.784 406 G HA2 -0.046 3.914 3.960 -0.000 0.000 0.686 406 G HA3 -0.046 3.914 3.960 -0.000 0.000 0.686 406 G C -1.125 173.766 174.900 -0.014 0.000 1.156 406 G CA -0.977 44.116 45.100 -0.011 0.000 0.757 406 G HN 0.384 nan 8.290 nan 0.000 0.642 407 I N 2.616 123.178 120.570 -0.014 0.000 2.533 407 I HA 0.205 4.375 4.170 -0.000 0.000 0.284 407 I C 1.270 177.377 176.117 -0.016 0.000 1.109 407 I CA -0.809 60.481 61.300 -0.017 0.000 1.412 407 I CB 0.959 38.950 38.000 -0.015 0.000 1.396 407 I HN 0.417 nan 8.210 nan 0.000 0.543 408 I N 5.946 126.504 120.570 -0.020 0.000 2.436 408 I HA 0.054 4.224 4.170 -0.000 0.000 0.289 408 I C 0.678 176.784 176.117 -0.018 0.000 1.083 408 I CA 0.622 61.912 61.300 -0.018 0.000 1.372 408 I CB 0.258 38.245 38.000 -0.021 0.000 1.408 408 I HN 0.565 nan 8.210 nan 0.000 0.516 409 S N 6.450 122.141 115.700 -0.015 0.000 2.726 409 S HA 0.699 5.169 4.470 -0.000 0.000 0.308 409 S C -0.667 173.921 174.600 -0.021 0.000 1.115 409 S CA -0.486 57.702 58.200 -0.019 0.000 0.965 409 S CB 1.922 65.113 63.200 -0.014 0.000 1.145 409 S HN 0.615 nan 8.310 nan 0.000 0.532 410 Q N 1.074 120.852 119.800 -0.037 0.000 2.630 410 Q HA 0.498 4.837 4.340 -0.000 0.000 0.295 410 Q C -1.770 174.175 176.000 -0.091 0.000 0.944 410 Q CA -0.863 54.914 55.803 -0.043 0.000 0.766 410 Q CB 1.785 30.495 28.738 -0.046 0.000 1.471 410 Q HN 0.726 nan 8.270 nan 0.000 0.416 411 N N 0.420 119.061 118.700 -0.099 0.000 3.270 411 N HA 0.176 4.915 4.740 -0.000 0.000 0.227 411 N C -1.889 173.575 175.510 -0.078 0.000 1.071 411 N CA -0.193 52.705 53.050 -0.255 0.000 1.073 411 N CB 0.947 39.359 38.487 -0.125 0.000 1.633 411 N HN 0.599 nan 8.380 nan 0.000 0.664 412 Y N 0.211 120.519 120.300 0.014 0.000 2.562 412 Y HA -0.192 4.358 4.550 -0.000 0.000 0.040 412 Y C 1.486 177.394 175.900 0.013 0.000 1.750 412 Y CA 1.543 59.650 58.100 0.012 0.000 1.377 412 Y CB -1.373 37.092 38.460 0.008 0.000 2.024 412 Y HN 0.900 nan 8.280 nan 0.000 0.263 413 G N 0.851 109.730 108.800 0.132 0.000 2.363 413 G HA2 -0.349 3.611 3.960 -0.000 0.000 0.238 413 G HA3 -0.349 3.611 3.960 -0.000 0.000 0.238 413 G C 1.031 175.964 174.900 0.055 0.000 1.062 413 G CA 0.596 45.747 45.100 0.086 0.000 0.629 413 G HN 0.684 nan 8.290 nan 0.000 0.514 414 E N 0.215 120.439 120.200 0.039 0.000 2.028 414 E HA 0.262 4.612 4.350 -0.000 0.000 0.190 414 E C 2.303 178.916 176.600 0.022 0.000 0.984 414 E CA 1.533 57.947 56.400 0.023 0.000 0.800 414 E CB -0.174 29.530 29.700 0.007 0.000 0.758 414 E HN 1.722 nan 8.360 nan 0.000 0.448 415 A N -0.140 122.687 122.820 0.011 0.000 1.284 415 A HA -0.238 4.082 4.320 -0.000 0.000 0.217 415 A C 0.651 178.245 177.584 0.017 0.000 0.488 415 A CA 1.392 53.443 52.037 0.023 0.000 1.098 415 A CB -1.876 17.154 19.000 0.050 0.000 1.469 415 A HN 0.484 nan 8.150 nan 0.000 0.723 416 V N -2.163 117.763 119.914 0.020 0.000 2.925 416 V HA 0.826 4.946 4.120 -0.000 0.000 0.311 416 V C 0.131 176.234 176.094 0.015 0.000 1.104 416 V CA -0.140 62.172 62.300 0.021 0.000 0.954 416 V CB 1.660 33.502 31.823 0.032 0.000 1.022 416 V HN 1.193 nan 8.190 nan 0.000 0.427 417 S N 2.462 118.170 115.700 0.013 0.000 2.645 417 S HA 0.706 5.176 4.470 -0.000 0.000 0.266 417 S C -0.128 174.481 174.600 0.016 0.000 1.258 417 S CA -0.556 57.649 58.200 0.009 0.000 0.990 417 S CB 1.320 64.521 63.200 0.001 0.000 0.967 417 S HN 0.894 nan 8.310 nan 0.000 0.556 418 L N 1.472 122.702 121.223 0.012 0.000 2.725 418 L HA 0.401 4.741 4.340 -0.000 0.000 0.270 418 L C -1.404 175.471 176.870 0.008 0.000 1.422 418 L CA -0.524 54.324 54.840 0.014 0.000 0.770 418 L CB -0.007 42.060 42.059 0.015 0.000 1.081 418 L HN 0.505 nan 8.230 nan 0.000 0.527 419 I N 1.352 121.924 120.570 0.004 0.000 3.136 419 I HA -0.151 4.019 4.170 -0.000 0.000 0.298 419 I C 0.651 176.767 176.117 -0.001 0.000 1.232 419 I CA 0.920 62.217 61.300 -0.004 0.000 1.379 419 I CB -0.339 37.653 38.000 -0.014 0.000 1.411 419 I HN 0.436 nan 8.210 nan 0.000 0.532 420 D N 4.020 124.418 120.400 -0.002 0.000 2.549 420 D HA 0.399 5.039 4.640 -0.000 0.000 0.270 420 D C 1.389 177.685 176.300 -0.005 0.000 1.181 420 D CA -0.649 53.350 54.000 -0.001 0.000 1.070 420 D CB 0.867 41.667 40.800 0.000 0.000 1.154 420 D HN 0.450 nan 8.370 nan 0.000 0.602 421 R N -0.165 120.332 120.500 -0.005 0.000 2.090 421 R HA -0.049 4.291 4.340 -0.000 0.000 0.228 421 R C 1.698 177.992 176.300 -0.010 0.000 1.110 421 R CA 1.152 57.247 56.100 -0.008 0.000 0.973 421 R CB -0.318 29.978 30.300 -0.008 0.000 0.869 421 R HN 0.440 nan 8.270 nan 0.000 0.440 422 Q N 0.989 120.785 119.800 -0.008 0.000 1.990 422 Q HA -0.105 4.234 4.340 -0.000 0.000 0.200 422 Q C 2.386 178.381 176.000 -0.008 0.000 0.980 422 Q CA 1.671 57.469 55.803 -0.008 0.000 0.832 422 Q CB -0.255 28.480 28.738 -0.005 0.000 0.897 422 Q HN 0.362 nan 8.270 nan 0.000 0.427 423 S N -0.587 115.109 115.700 -0.007 0.000 2.381 423 S HA -0.195 4.275 4.470 -0.000 0.000 0.230 423 S C 0.659 175.252 174.600 -0.011 0.000 1.052 423 S CA 1.212 59.407 58.200 -0.007 0.000 1.068 423 S CB -0.207 62.990 63.200 -0.006 0.000 0.918 423 S HN 0.543 nan 8.310 nan 0.000 0.448 424 c N -0.650 117.942 118.600 -0.013 0.000 3.239 424 c HA 0.670 5.240 4.570 -0.000 0.000 0.329 424 c C 0.268 174.347 174.090 -0.018 0.000 1.252 424 c CA -0.818 55.501 56.329 -0.017 0.000 1.323 424 c CB 0.616 43.114 42.510 -0.020 0.000 1.663 424 c HN 0.473 nan 8.230 nan 0.000 0.487 425 N N 0.988 119.676 118.700 -0.020 0.000 2.254 425 N HA 0.480 5.219 4.740 -0.000 0.000 0.190 425 N C -0.624 174.873 175.510 -0.022 0.000 1.107 425 N CA 0.465 53.502 53.050 -0.022 0.000 0.869 425 N CB 0.232 38.704 38.487 -0.024 0.000 0.983 425 N HN 0.693 nan 8.380 nan 0.000 0.487 426 I N 1.106 121.661 120.570 -0.024 0.000 2.598 426 I HA 0.131 4.301 4.170 -0.000 0.000 0.277 426 I C -0.996 175.100 176.117 -0.035 0.000 1.179 426 I CA -0.342 60.942 61.300 -0.026 0.000 1.081 426 I CB 1.659 39.645 38.000 -0.024 0.000 1.272 426 I HN -0.123 nan 8.210 nan 0.000 0.471 427 L N 3.647 124.844 121.223 -0.044 0.000 2.475 427 L HA 0.417 4.757 4.340 -0.000 0.000 0.253 427 L C 0.272 177.094 176.870 -0.079 0.000 1.198 427 L CA 0.226 55.027 54.840 -0.065 0.000 0.814 427 L CB 1.450 43.461 42.059 -0.080 0.000 1.134 427 L HN 0.549 nan 8.230 nan 0.000 0.478 428 S N 2.598 118.237 115.700 -0.101 0.000 2.564 428 S HA 0.217 4.687 4.470 -0.000 0.000 0.141 428 S C -0.466 174.046 174.600 -0.147 0.000 1.474 428 S CA -0.580 57.557 58.200 -0.106 0.000 1.236 428 S CB 0.350 63.509 63.200 -0.068 0.000 1.481 428 S HN 0.268 nan 8.310 nan 0.000 0.397 429 L N 2.836 123.906 121.223 -0.255 0.000 2.650 429 L HA 0.231 4.571 4.340 -0.000 0.000 0.239 429 L C 0.101 176.824 176.870 -0.244 0.000 1.412 429 L CA 0.594 55.222 54.840 -0.353 0.000 1.219 429 L CB -2.285 39.272 42.059 -0.836 0.000 1.534 429 L HN 0.551 nan 8.230 nan 0.000 0.430 430 D N 1.284 121.612 120.400 -0.120 0.000 5.167 430 D HA -0.161 4.478 4.640 -0.000 0.000 0.237 430 D C 1.193 177.475 176.300 -0.031 0.000 1.278 430 D CA 1.015 54.984 54.000 -0.052 0.000 1.266 430 D CB -0.378 40.414 40.800 -0.013 0.000 0.704 430 D HN 0.683 nan 8.370 nan 0.000 0.350 431 G N 1.569 110.356 108.800 -0.023 0.000 2.347 431 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.247 431 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.247 431 G C 0.481 175.376 174.900 -0.008 0.000 1.037 431 G CA 0.612 45.710 45.100 -0.004 0.000 0.622 431 G HN 1.067 nan 8.290 nan 0.000 0.521 432 I N -0.524 120.025 120.570 -0.034 0.000 2.468 432 I HA 0.656 4.826 4.170 -0.000 0.000 0.284 432 I C -0.078 175.997 176.117 -0.070 0.000 1.038 432 I CA -0.514 60.767 61.300 -0.031 0.000 1.083 432 I CB 1.830 39.835 38.000 0.008 0.000 1.223 432 I HN 0.097 nan 8.210 nan 0.000 0.443 433 T N 4.894 119.421 114.554 -0.045 0.000 2.780 433 T HA 0.693 5.042 4.350 -0.000 0.000 0.294 433 T C -0.273 174.407 174.700 -0.034 0.000 0.949 433 T CA -0.543 61.528 62.100 -0.048 0.000 1.074 433 T CB 1.362 70.211 68.868 -0.032 0.000 0.910 433 T HN 0.341 nan 8.240 nan 0.000 0.501 434 L N 2.708 123.905 121.223 -0.043 0.000 2.346 434 L HA 0.494 4.834 4.340 -0.000 0.000 0.276 434 L C 0.557 177.418 176.870 -0.015 0.000 1.006 434 L CA -0.778 54.049 54.840 -0.021 0.000 0.817 434 L CB 1.629 43.675 42.059 -0.023 0.000 1.272 434 L HN 0.569 nan 8.230 nan 0.000 0.421 435 R N 1.968 122.468 120.500 -0.000 0.000 2.390 435 R HA 0.293 4.633 4.340 -0.000 0.000 0.291 435 R C -0.066 176.235 176.300 0.001 0.000 1.070 435 R CA -0.356 55.745 56.100 0.001 0.000 1.014 435 R CB 0.929 31.239 30.300 0.017 0.000 1.007 435 R HN 0.440 nan 8.270 nan 0.000 0.466 436 L N 1.011 122.230 121.223 -0.006 0.000 2.858 436 L HA 0.207 4.547 4.340 -0.000 0.000 0.251 436 L C 0.169 177.036 176.870 -0.005 0.000 1.149 436 L CA 0.521 55.358 54.840 -0.004 0.000 0.955 436 L CB 0.569 42.622 42.059 -0.009 0.000 1.289 436 L HN 0.457 nan 8.230 nan 0.000 0.542 437 S N -1.190 114.503 115.700 -0.011 0.000 2.537 437 S HA 0.864 5.334 4.470 -0.000 0.000 0.270 437 S C -0.667 173.911 174.600 -0.038 0.000 1.142 437 S CA 0.032 58.219 58.200 -0.022 0.000 0.870 437 S CB 1.695 64.877 63.200 -0.030 0.000 1.112 437 S HN 0.192 nan 8.310 nan 0.000 0.466 438 G N 1.640 110.404 108.800 -0.060 0.000 2.466 438 G HA2 0.567 4.526 3.960 -0.000 0.000 0.291 438 G HA3 0.567 4.526 3.960 -0.000 0.000 0.291 438 G C -2.045 172.740 174.900 -0.191 0.000 1.460 438 G CA -0.514 44.503 45.100 -0.137 0.000 0.791 438 G HN 0.742 nan 8.290 nan 0.000 0.505 439 E N -1.285 118.631 120.200 -0.474 0.000 2.401 439 E HA 0.697 5.046 4.350 -0.000 0.000 0.280 439 E C -1.931 174.175 176.600 -0.823 0.000 1.039 439 E CA -0.673 55.498 56.400 -0.381 0.000 0.814 439 E CB 2.295 31.863 29.700 -0.219 0.000 1.275 439 E HN 0.403 nan 8.360 nan 0.000 0.448 440 F N 0.479 120.429 119.950 0.001 0.000 2.688 440 F HA 0.354 4.881 4.527 -0.000 0.000 0.308 440 F C -1.270 174.534 175.800 0.006 0.000 1.117 440 F CA -0.721 57.281 58.000 0.004 0.000 0.976 440 F CB 1.971 40.973 39.000 0.004 0.000 1.291 440 F HN 0.286 nan 8.300 nan 0.000 0.439 441 D N 0.968 121.483 120.400 0.192 0.000 2.596 441 D HA 0.877 5.517 4.640 -0.000 0.000 0.234 441 D C -1.207 175.157 176.300 0.107 0.000 1.181 441 D CA -0.862 53.207 54.000 0.114 0.000 0.856 441 D CB 2.352 43.191 40.800 0.064 0.000 1.498 441 D HN 0.789 nan 8.370 nan 0.000 0.446 442 A N 0.271 123.141 122.820 0.083 0.000 2.586 442 A HA 0.825 5.145 4.320 -0.000 0.000 0.290 442 A C -1.402 176.226 177.584 0.074 0.000 1.086 442 A CA -0.757 51.325 52.037 0.076 0.000 0.665 442 A CB 1.670 20.720 19.000 0.084 0.000 1.279 442 A HN 0.425 nan 8.150 nan 0.000 0.423 443 T N 0.377 114.974 114.554 0.071 0.000 2.893 443 T HA 0.595 4.945 4.350 -0.000 0.000 0.293 443 T C -1.732 173.025 174.700 0.094 0.000 1.027 443 T CA -0.106 62.038 62.100 0.073 0.000 0.988 443 T CB 1.179 70.067 68.868 0.033 0.000 1.043 443 T HN 0.545 nan 8.240 nan 0.000 0.461 444 Y N 3.222 123.522 120.300 0.001 0.000 2.341 444 Y HA 0.572 5.121 4.550 -0.000 0.000 0.338 444 Y C -0.269 175.629 175.900 -0.002 0.000 0.965 444 Y CA -0.361 57.738 58.100 -0.002 0.000 1.108 444 Y CB 1.203 39.660 38.460 -0.005 0.000 1.180 444 Y HN 0.755 nan 8.280 nan 0.000 0.458 445 Q N 3.412 123.062 119.800 -0.249 0.000 2.594 445 Q HA 0.412 4.751 4.340 -0.000 0.000 0.278 445 Q C -2.106 173.781 176.000 -0.188 0.000 0.961 445 Q CA -1.293 54.439 55.803 -0.118 0.000 0.844 445 Q CB 2.032 30.736 28.738 -0.057 0.000 1.475 445 Q HN 0.534 nan 8.270 nan 0.000 0.389 446 K N 1.142 121.483 120.400 -0.099 0.000 2.318 446 K HA 0.494 4.814 4.320 -0.000 0.000 0.249 446 K C -1.257 175.312 176.600 -0.051 0.000 0.942 446 K CA -0.802 55.432 56.287 -0.088 0.000 0.808 446 K CB 1.259 33.727 32.500 -0.053 0.000 1.189 446 K HN 0.710 nan 8.250 nan 0.000 0.428 447 N N 4.642 123.313 118.700 -0.049 0.000 2.558 447 N HA 0.271 5.011 4.740 -0.000 0.000 0.242 447 N C -0.201 175.295 175.510 -0.022 0.000 0.979 447 N CA -0.330 52.701 53.050 -0.032 0.000 0.931 447 N CB 0.751 39.219 38.487 -0.033 0.000 1.122 447 N HN 0.526 nan 8.380 nan 0.000 0.508 448 I N 0.392 120.954 120.570 -0.014 0.000 2.938 448 I HA -0.011 4.158 4.170 -0.000 0.000 0.285 448 I C 0.919 177.031 176.117 -0.008 0.000 1.182 448 I CA 0.462 61.758 61.300 -0.008 0.000 1.388 448 I CB 0.594 38.593 38.000 -0.003 0.000 1.390 448 I HN 0.303 nan 8.210 nan 0.000 0.600 449 S N 5.903 121.600 115.700 -0.005 0.000 2.381 449 S HA 0.373 4.842 4.470 -0.000 0.000 0.193 449 S C -0.318 174.281 174.600 -0.002 0.000 1.287 449 S CA -0.778 57.419 58.200 -0.005 0.000 1.199 449 S CB -0.085 63.111 63.200 -0.007 0.000 1.214 449 S HN 0.453 nan 8.310 nan 0.000 0.444 450 I N 0.926 121.496 120.570 -0.001 0.000 2.993 450 I HA 0.500 4.670 4.170 -0.000 0.000 0.286 450 I C 0.052 176.169 176.117 0.001 0.000 1.215 450 I CA -0.253 61.047 61.300 0.001 0.000 1.393 450 I CB 0.439 38.440 38.000 0.002 0.000 1.371 450 I HN 0.371 nan 8.210 nan 0.000 0.602 451 Q N 2.562 122.364 119.800 0.002 0.000 2.348 451 Q HA 0.401 4.741 4.340 -0.000 0.000 0.271 451 Q C -1.569 174.433 176.000 0.003 0.000 1.067 451 Q CA -0.527 55.278 55.803 0.003 0.000 0.839 451 Q CB 2.100 30.840 28.738 0.003 0.000 1.354 451 Q HN 0.800 nan 8.270 nan 0.000 0.447 452 D N -0.252 120.150 120.400 0.003 0.000 2.385 452 D HA 0.679 5.319 4.640 -0.000 0.000 0.254 452 D C -0.451 175.852 176.300 0.005 0.000 1.053 452 D CA -0.692 53.310 54.000 0.004 0.000 0.992 452 D CB 1.498 42.300 40.800 0.004 0.000 1.145 452 D HN 0.345 nan 8.370 nan 0.000 0.523 453 S N -0.992 114.712 115.700 0.006 0.000 3.081 453 S HA 0.664 5.134 4.470 -0.000 0.000 0.316 453 S C -1.713 172.892 174.600 0.008 0.000 1.089 453 S CA -0.430 57.775 58.200 0.007 0.000 0.897 453 S CB 0.724 63.929 63.200 0.008 0.000 1.358 453 S HN 0.684 nan 8.310 nan 0.000 0.678 454 Q N 0.000 119.806 119.800 0.010 0.000 2.315 454 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 454 Q CA 0.000 55.810 55.803 0.011 0.000 1.022 454 Q CB 0.000 28.744 28.738 0.010 0.000 1.108 454 Q HN 0.000 nan 8.270 nan 0.000 0.481