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 2r5h_1_D DATA FIRST_RESID 20 DATA SEQUENCE AVVSTDEYVA RTNIYYHAGT SRLLAVGHPY FPIKKPNNNK ILVPKVSGLQ DATA SEQUENCE YRVFRIHLPD PNKFGFPDTS FYNPDTQRLV WACVGVEVGR GQPLGVGISG DATA SEQUENCE HPLLNKLDDT ENASAYAANA GVDNRECISM DYKQTQLCLI GCKPPIGEHW DATA SEQUENCE GKGSPCTQVA VQPGDCPPLE LINTVIQDGD MVDTGFGAMD FTTLQANKSE DATA SEQUENCE VPLDICTSIC KYPDYIKMVS EPYGDSLFFY LRREQMFVRH LFNRAGTVGE DATA SEQUENCE NVPDDLYIKG SGSTANLASS NYFPTPSGSM VTSDAQIFNK PYWLQRAQGH DATA SEQUENCE NNGICWGNQL FVTVVDTTRS TNMSLCAAIS TSETTYKNTN FKEYLRHGEE DATA SEQUENCE YDLQFIFQLC KITLTADVMT YIHSMNSTIL EDWNXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXED PLKKYTFWEV NLKEKFSADL DQFPLGRKFL DATA SEQUENCE LQL 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 20 A HA 0.000 nan 4.320 nan 0.000 0.244 20 A C 0.000 177.645 177.584 0.101 0.000 1.274 20 A CA 0.000 52.058 52.037 0.035 0.000 0.836 20 A CB 0.000 19.021 19.000 0.036 0.000 0.831 21 V N 1.275 121.164 119.914 -0.041 0.000 2.837 21 V HA 0.808 4.948 4.120 0.034 0.000 0.310 21 V C 0.460 176.531 176.094 -0.038 0.000 1.059 21 V CA 0.049 62.330 62.300 -0.032 0.000 1.004 21 V CB 1.351 32.816 31.823 -0.596 0.000 1.045 21 V HN 1.837 nan 8.190 nan 0.000 0.465 22 V N -0.436 119.559 119.914 0.135 0.000 3.216 22 V HA 0.706 4.846 4.120 0.034 0.000 0.302 22 V C -0.102 176.247 176.094 0.425 0.000 1.286 22 V CA -0.614 61.805 62.300 0.199 0.000 1.048 22 V CB 1.616 33.499 31.823 0.099 0.000 1.081 22 V HN 1.006 nan 8.190 nan 0.000 0.442 23 S N 1.087 117.059 115.700 0.454 0.000 2.573 23 S HA 0.040 4.530 4.470 0.034 0.000 0.297 23 S C 1.536 176.246 174.600 0.184 0.000 1.280 23 S CA 0.748 59.151 58.200 0.338 0.000 1.061 23 S CB 0.689 63.973 63.200 0.140 0.000 0.812 23 S HN 2.222 nan 8.310 nan 0.000 0.500 24 T N 1.009 115.633 114.554 0.118 0.000 2.962 24 T HA -0.088 4.283 4.350 0.034 0.000 0.270 24 T C 1.082 175.583 174.700 -0.331 0.000 1.088 24 T CA 1.291 63.212 62.100 -0.298 0.000 1.127 24 T CB -0.511 68.245 68.868 -0.187 0.000 0.883 24 T HN 0.672 nan 8.240 nan 0.000 0.493 25 D N 1.557 121.888 120.400 -0.115 0.000 2.315 25 D HA -0.082 4.579 4.640 0.034 0.000 0.211 25 D C 1.987 178.240 176.300 -0.078 0.000 0.977 25 D CA 0.799 54.747 54.000 -0.088 0.000 0.894 25 D CB -0.073 40.709 40.800 -0.031 0.000 0.910 25 D HN 0.681 nan 8.370 nan 0.000 0.490 26 E N -0.068 120.087 120.200 -0.075 0.000 1.997 26 E HA -0.169 4.202 4.350 0.034 0.000 0.196 26 E C 2.118 178.733 176.600 0.025 0.000 0.990 26 E CA 0.895 57.297 56.400 0.004 0.000 0.845 26 E CB -0.542 29.213 29.700 0.091 0.000 0.795 26 E HN 0.504 nan 8.360 nan 0.000 0.479 27 Y N 0.333 120.666 120.300 0.055 0.000 2.616 27 Y HA 0.169 4.740 4.550 0.034 0.000 0.296 27 Y C 0.527 176.524 175.900 0.162 0.000 1.154 27 Y CA -0.224 57.932 58.100 0.094 0.000 1.325 27 Y CB -0.237 38.275 38.460 0.088 0.000 1.007 27 Y HN -0.267 nan 8.280 nan 0.000 0.542 28 V N 1.171 120.995 119.914 -0.150 0.000 2.630 28 V HA 0.803 4.943 4.120 0.034 0.000 0.305 28 V C -0.007 176.078 176.094 -0.014 0.000 1.046 28 V CA -0.933 61.355 62.300 -0.020 0.000 0.934 28 V CB 1.305 33.072 31.823 -0.093 0.000 1.003 28 V HN 0.331 nan 8.190 nan 0.000 0.451 29 A N 4.037 126.870 122.820 0.021 0.000 2.343 29 A HA 0.803 5.144 4.320 0.034 0.000 0.316 29 A C -0.338 177.232 177.584 -0.024 0.000 1.104 29 A CA -0.776 51.265 52.037 0.006 0.000 0.768 29 A CB 1.039 20.058 19.000 0.033 0.000 1.213 29 A HN 0.807 nan 8.150 nan 0.000 0.456 30 R N 1.500 121.979 120.500 -0.034 0.000 2.343 30 R HA 0.487 4.848 4.340 0.034 0.000 0.320 30 R C 0.289 176.534 176.300 -0.091 0.000 0.956 30 R CA -0.243 55.822 56.100 -0.057 0.000 0.836 30 R CB 1.801 32.084 30.300 -0.029 0.000 1.151 30 R HN 0.903 nan 8.270 nan 0.000 0.450 31 T N -1.290 113.168 114.554 -0.160 0.000 2.849 31 T HA 0.158 4.528 4.350 0.034 0.000 0.276 31 T C 0.550 175.070 174.700 -0.300 0.000 0.971 31 T CA -0.654 61.315 62.100 -0.218 0.000 0.949 31 T CB 0.946 69.613 68.868 -0.335 0.000 1.093 31 T HN 0.512 nan 8.240 nan 0.000 0.545 32 N N 0.597 119.109 118.700 -0.313 0.000 2.635 32 N HA 0.246 5.007 4.740 0.034 0.000 0.307 32 N C -0.963 174.265 175.510 -0.470 0.000 1.433 32 N CA -0.256 52.569 53.050 -0.374 0.000 0.973 32 N CB 0.087 38.474 38.487 -0.167 0.000 1.304 32 N HN 0.454 nan 8.380 nan 0.000 0.507 33 I N 1.458 121.664 120.570 -0.606 0.000 2.433 33 I HA 0.346 4.536 4.170 0.034 0.000 0.292 33 I C -0.736 175.182 176.117 -0.331 0.000 1.001 33 I CA -0.502 60.559 61.300 -0.397 0.000 1.119 33 I CB 1.035 38.813 38.000 -0.370 0.000 1.289 33 I HN 0.068 nan 8.210 nan 0.000 0.438 34 Y N 5.328 125.689 120.300 0.101 0.000 2.421 34 Y HA 0.494 5.064 4.550 0.034 0.000 0.339 34 Y C -0.870 175.076 175.900 0.077 0.000 0.996 34 Y CA -0.773 57.438 58.100 0.186 0.000 1.046 34 Y CB 2.442 41.026 38.460 0.207 0.000 1.226 34 Y HN 0.373 nan 8.280 nan 0.000 0.445 35 Y N 1.075 121.634 120.300 0.431 0.000 2.602 35 Y HA 0.411 4.982 4.550 0.034 0.000 0.342 35 Y C -0.338 175.570 175.900 0.014 0.000 1.029 35 Y CA -0.992 57.231 58.100 0.204 0.000 1.080 35 Y CB 1.709 40.212 38.460 0.070 0.000 1.284 35 Y HN 0.539 nan 8.280 nan 0.000 0.485 36 H N 0.861 119.945 119.070 0.023 0.000 2.621 36 H HA 0.878 5.455 4.556 0.034 0.000 0.360 36 H C -1.721 173.373 175.328 -0.389 0.000 1.163 36 H CA -0.666 55.289 56.048 -0.156 0.000 1.194 36 H CB 1.831 31.579 29.762 -0.023 0.000 1.649 36 H HN 0.805 nan 8.280 nan 0.000 0.532 37 A N 1.899 124.145 122.820 -0.957 0.000 2.547 37 A HA 0.564 4.904 4.320 0.034 0.000 0.298 37 A C -1.147 176.189 177.584 -0.413 0.000 1.062 37 A CA 0.045 51.771 52.037 -0.518 0.000 0.748 37 A CB 1.130 19.757 19.000 -0.622 0.000 1.288 37 A HN 0.996 nan 8.150 nan 0.000 0.396 38 G N 1.093 109.783 108.800 -0.184 0.000 2.657 38 G HA2 0.630 4.610 3.960 0.034 0.000 0.303 38 G HA3 0.630 4.610 3.960 0.034 0.000 0.303 38 G C -0.315 174.582 174.900 -0.006 0.000 1.457 38 G CA 0.320 45.395 45.100 -0.041 0.000 0.982 38 G HN 1.915 nan 8.290 nan 0.000 0.583 39 T N -0.078 114.487 114.554 0.019 0.000 2.891 39 T HA 0.239 4.609 4.350 0.034 0.000 0.296 39 T C 1.927 176.647 174.700 0.033 0.000 1.025 39 T CA 0.883 63.002 62.100 0.032 0.000 1.149 39 T CB 1.152 70.028 68.868 0.013 0.000 1.007 39 T HN 1.681 nan 8.240 nan 0.000 0.528 40 S N 2.890 118.626 115.700 0.059 0.000 2.368 40 S HA -0.105 4.386 4.470 0.034 0.000 0.225 40 S C 1.026 175.660 174.600 0.057 0.000 1.030 40 S CA 0.600 58.837 58.200 0.062 0.000 0.999 40 S CB -0.296 62.950 63.200 0.078 0.000 0.844 40 S HN 0.992 nan 8.310 nan 0.000 0.459 41 R N 0.175 120.720 120.500 0.075 0.000 3.146 41 R HA 0.270 4.631 4.340 0.034 0.000 0.283 41 R C -1.456 174.926 176.300 0.136 0.000 1.375 41 R CA -0.289 55.862 56.100 0.085 0.000 1.029 41 R CB 0.091 30.438 30.300 0.079 0.000 1.375 41 R HN 0.355 nan 8.270 nan 0.000 0.380 42 L N 2.901 124.213 121.223 0.148 0.000 2.474 42 L HA 0.387 4.747 4.340 0.034 0.000 0.259 42 L C -0.228 176.846 176.870 0.340 0.000 1.232 42 L CA -0.207 54.795 54.840 0.270 0.000 0.821 42 L CB 0.314 42.424 42.059 0.085 0.000 1.108 42 L HN 0.464 nan 8.230 nan 0.000 0.495 43 L N 0.696 122.217 121.223 0.497 0.000 2.672 43 L HA 0.706 5.067 4.340 0.034 0.000 0.256 43 L C -1.337 175.748 176.870 0.358 0.000 0.946 43 L CA -0.086 54.963 54.840 0.347 0.000 0.889 43 L CB 1.902 44.079 42.059 0.197 0.000 1.441 43 L HN 0.682 nan 8.230 nan 0.000 0.418 44 A N 2.698 125.663 122.820 0.241 0.000 2.520 44 A HA 0.923 5.264 4.320 0.034 0.000 0.298 44 A C -1.937 175.662 177.584 0.024 0.000 1.051 44 A CA -0.558 51.542 52.037 0.105 0.000 0.690 44 A CB 2.072 21.166 19.000 0.156 0.000 1.281 44 A HN 0.588 nan 8.150 nan 0.000 0.402 45 V N 1.288 121.198 119.914 -0.006 0.000 2.752 45 V HA 0.820 4.961 4.120 0.034 0.000 0.302 45 V C 0.421 176.517 176.094 0.003 0.000 1.133 45 V CA 0.459 62.756 62.300 -0.005 0.000 0.919 45 V CB 1.683 33.512 31.823 0.009 0.000 1.026 45 V HN 1.916 nan 8.190 nan 0.000 0.429 46 G N 2.552 111.366 108.800 0.024 0.000 2.588 46 G HA2 0.425 4.406 3.960 0.034 0.000 0.281 46 G HA3 0.425 4.406 3.960 0.034 0.000 0.281 46 G C -1.717 173.229 174.900 0.076 0.000 1.223 46 G CA -0.417 44.713 45.100 0.050 0.000 0.871 46 G HN 0.675 nan 8.290 nan 0.000 0.492 47 H N 1.564 120.634 119.070 0.000 0.000 2.489 47 H HA 0.439 5.016 4.556 0.034 0.000 0.343 47 H C -1.672 173.617 175.328 -0.065 0.000 1.086 47 H CA -1.835 54.187 56.048 -0.042 0.000 1.198 47 H CB 3.044 32.722 29.762 -0.140 0.000 1.490 47 H HN 0.155 nan 8.280 nan 0.000 0.504 48 P HA -0.109 nan 4.420 nan 0.000 0.225 48 P C 0.122 177.203 177.300 -0.366 0.000 1.148 48 P CA 1.200 64.114 63.100 -0.310 0.000 0.779 48 P CB 0.363 31.662 31.700 -0.668 0.000 0.780 49 Y N -0.361 120.040 120.300 0.168 0.000 2.594 49 Y HA 0.268 4.839 4.550 0.034 0.000 0.283 49 Y C 1.355 177.343 175.900 0.147 0.000 1.140 49 Y CA -0.311 57.877 58.100 0.146 0.000 1.261 49 Y CB -0.269 38.299 38.460 0.179 0.000 1.358 49 Y HN -0.168 nan 8.280 nan 0.000 0.513 50 F N -1.171 118.987 119.950 0.346 0.000 2.662 50 F HA 0.787 5.335 4.527 0.034 0.000 0.312 50 F C -3.384 172.436 175.800 0.032 0.000 1.113 50 F CA -3.509 54.562 58.000 0.118 0.000 0.951 50 F CB 0.805 39.821 39.000 0.027 0.000 1.344 50 F HN -0.344 nan 8.300 nan 0.000 0.462 51 P HA 0.262 nan 4.420 nan 0.000 0.280 51 P C -0.684 176.737 177.300 0.202 0.000 1.244 51 P CA 0.030 63.234 63.100 0.172 0.000 0.784 51 P CB 1.597 33.368 31.700 0.119 0.000 0.913 52 I N 4.253 124.905 120.570 0.137 0.000 2.294 52 I HA 0.142 4.333 4.170 0.034 0.000 0.295 52 I C 1.193 177.361 176.117 0.084 0.000 1.098 52 I CA 0.407 61.786 61.300 0.132 0.000 1.277 52 I CB -0.433 37.643 38.000 0.127 0.000 1.434 52 I HN 0.287 nan 8.210 nan 0.000 0.498 53 K N 3.938 124.378 120.400 0.067 0.000 2.316 53 K HA 0.678 5.019 4.320 0.034 0.000 0.234 53 K C -0.431 176.187 176.600 0.029 0.000 1.054 53 K CA -1.464 54.846 56.287 0.037 0.000 0.879 53 K CB 1.023 33.536 32.500 0.022 0.000 1.252 53 K HN -0.016 nan 8.250 nan 0.000 0.471 54 K N 1.992 122.403 120.400 0.018 0.000 2.401 54 K HA 0.052 4.393 4.320 0.034 0.000 0.278 54 K C -1.686 174.917 176.600 0.005 0.000 1.018 54 K CA -1.441 54.853 56.287 0.012 0.000 0.981 54 K CB 0.443 32.946 32.500 0.006 0.000 0.933 54 K HN 0.282 nan 8.250 nan 0.000 0.477 55 P HA -0.220 nan 4.420 nan 0.000 0.217 55 P C -0.404 176.889 177.300 -0.011 0.000 1.151 55 P CA 1.887 64.983 63.100 -0.006 0.000 0.849 55 P CB 0.085 31.784 31.700 -0.002 0.000 0.787 56 N N -1.052 117.643 118.700 -0.007 0.000 2.607 56 N HA -0.044 4.716 4.740 0.034 0.000 0.207 56 N C 0.862 176.367 175.510 -0.009 0.000 1.040 56 N CA -0.267 52.778 53.050 -0.009 0.000 0.947 56 N CB -1.282 37.201 38.487 -0.007 0.000 1.293 56 N HN 0.006 nan 8.380 nan 0.000 0.446 57 N N 1.042 119.739 118.700 -0.006 0.000 2.307 57 N HA -0.045 4.715 4.740 0.034 0.000 0.230 57 N C -0.176 175.330 175.510 -0.005 0.000 1.297 57 N CA 0.130 53.177 53.050 -0.005 0.000 0.884 57 N CB 0.262 38.747 38.487 -0.003 0.000 1.115 57 N HN 0.430 nan 8.380 nan 0.000 0.436 58 N N 0.530 119.227 118.700 -0.006 0.000 2.282 58 N HA 0.049 4.810 4.740 0.034 0.000 0.240 58 N C -0.721 174.786 175.510 -0.004 0.000 1.182 58 N CA -0.284 52.763 53.050 -0.006 0.000 0.874 58 N CB 0.369 38.850 38.487 -0.009 0.000 1.126 58 N HN 0.425 nan 8.380 nan 0.000 0.516 59 K N 2.038 122.437 120.400 -0.002 0.000 2.201 59 K HA 0.274 4.615 4.320 0.034 0.000 0.278 59 K C 0.178 176.780 176.600 0.003 0.000 1.027 59 K CA -0.621 55.663 56.287 -0.003 0.000 0.909 59 K CB 1.213 33.711 32.500 -0.005 0.000 1.062 59 K HN 0.250 nan 8.250 nan 0.000 0.465 60 I N 3.996 124.568 120.570 0.003 0.000 2.294 60 I HA 0.068 4.258 4.170 0.034 0.000 0.295 60 I C 0.964 177.087 176.117 0.010 0.000 1.098 60 I CA -0.519 60.789 61.300 0.013 0.000 1.277 60 I CB 0.493 38.501 38.000 0.013 0.000 1.434 60 I HN 0.595 nan 8.210 nan 0.000 0.498 61 L N 7.485 128.718 121.223 0.017 0.000 2.265 61 L HA 0.174 4.534 4.340 0.034 0.000 0.215 61 L C 0.201 177.080 176.870 0.015 0.000 1.117 61 L CA 1.431 56.278 54.840 0.013 0.000 0.782 61 L CB 0.062 42.132 42.059 0.018 0.000 0.914 61 L HN 0.540 nan 8.230 nan 0.000 0.441 62 V N 0.420 120.351 119.914 0.030 0.000 2.891 62 V HA 0.488 4.629 4.120 0.034 0.000 0.304 62 V C -2.638 173.485 176.094 0.047 0.000 1.171 62 V CA -0.875 61.446 62.300 0.035 0.000 0.943 62 V CB 2.153 34.007 31.823 0.052 0.000 1.037 62 V HN 0.032 nan 8.190 nan 0.000 0.427 63 P HA 0.410 nan 4.420 nan 0.000 0.289 63 P C -1.326 176.006 177.300 0.053 0.000 1.302 63 P CA -1.027 62.091 63.100 0.030 0.000 0.923 63 P CB 1.895 33.588 31.700 -0.012 0.000 1.238 64 K N 0.832 121.268 120.400 0.060 0.000 2.395 64 K HA 0.228 4.568 4.320 0.034 0.000 0.283 64 K C -0.798 175.834 176.600 0.054 0.000 1.068 64 K CA 0.116 56.449 56.287 0.077 0.000 1.039 64 K CB -0.286 32.264 32.500 0.082 0.000 0.924 64 K HN 0.206 nan 8.250 nan 0.000 0.468 65 V N 3.851 123.801 119.914 0.060 0.000 2.320 65 V HA 0.090 4.231 4.120 0.034 0.000 0.268 65 V C -0.082 176.077 176.094 0.107 0.000 1.021 65 V CA -0.601 61.724 62.300 0.041 0.000 0.813 65 V CB 0.918 32.740 31.823 -0.002 0.000 1.054 65 V HN 0.750 nan 8.190 nan 0.000 0.444 66 S N 3.127 118.924 115.700 0.161 0.000 2.739 66 S HA 0.782 5.272 4.470 0.034 0.000 0.306 66 S C 0.559 175.329 174.600 0.284 0.000 1.115 66 S CA 0.076 58.465 58.200 0.314 0.000 0.985 66 S CB 2.006 65.274 63.200 0.113 0.000 1.133 66 S HN 0.792 nan 8.310 nan 0.000 0.541 67 G N 1.187 110.202 108.800 0.358 0.000 4.232 67 G HA2 0.583 4.563 3.960 0.034 0.000 0.304 67 G HA3 0.583 4.563 3.960 0.034 0.000 0.304 67 G C -0.469 174.506 174.900 0.124 0.000 1.295 67 G CA -0.304 44.937 45.100 0.235 0.000 1.398 67 G HN 0.612 nan 8.290 nan 0.000 0.571 68 L N -0.214 121.068 121.223 0.098 0.000 3.631 68 L HA 0.242 4.603 4.340 0.034 0.000 0.346 68 L C 0.167 177.067 176.870 0.049 0.000 1.329 68 L CA -0.045 54.821 54.840 0.043 0.000 1.018 68 L CB 0.623 42.707 42.059 0.041 0.000 1.412 68 L HN 0.276 nan 8.230 nan 0.000 0.618 69 Q N 0.160 120.012 119.800 0.086 0.000 2.348 69 Q HA 0.413 4.773 4.340 0.034 0.000 0.265 69 Q C -1.245 174.864 176.000 0.183 0.000 0.998 69 Q CA -0.892 54.998 55.803 0.144 0.000 0.831 69 Q CB 1.673 30.489 28.738 0.129 0.000 1.251 69 Q HN 0.012 nan 8.270 nan 0.000 0.456 70 Y N 1.362 121.704 120.300 0.070 0.000 2.610 70 Y HA -0.019 4.551 4.550 0.034 0.000 0.332 70 Y C 0.814 176.760 175.900 0.078 0.000 1.201 70 Y CA 0.262 58.414 58.100 0.086 0.000 1.465 70 Y CB 0.492 38.987 38.460 0.060 0.000 1.283 70 Y HN 0.278 nan 8.280 nan 0.000 0.563 71 R N 3.077 123.722 120.500 0.241 0.000 2.471 71 R HA 0.256 4.616 4.340 0.034 0.000 0.292 71 R C -1.364 174.930 176.300 -0.011 0.000 1.192 71 R CA -0.546 55.593 56.100 0.065 0.000 1.257 71 R CB 0.376 30.734 30.300 0.097 0.000 1.130 71 R HN 0.412 nan 8.270 nan 0.000 0.558 72 V N 5.923 125.844 119.914 0.011 0.000 2.352 72 V HA 0.119 4.259 4.120 0.034 0.000 0.253 72 V C 0.430 176.524 176.094 0.000 0.000 1.083 72 V CA -0.005 62.334 62.300 0.065 0.000 0.993 72 V CB -0.554 31.311 31.823 0.070 0.000 1.111 72 V HN 0.331 nan 8.190 nan 0.000 0.490 73 F N 3.826 123.790 119.950 0.024 0.000 2.410 73 F HA 0.467 5.014 4.527 0.034 0.000 0.334 73 F C 0.890 176.772 175.800 0.137 0.000 1.134 73 F CA -0.335 57.682 58.000 0.029 0.000 1.227 73 F CB 0.575 39.510 39.000 -0.108 0.000 1.194 73 F HN 0.279 nan 8.300 nan 0.000 0.571 74 R N 2.878 123.577 120.500 0.333 0.000 2.358 74 R HA 0.494 4.854 4.340 0.034 0.000 0.309 74 R C -1.543 174.677 176.300 -0.133 0.000 1.026 74 R CA -0.712 55.510 56.100 0.203 0.000 0.909 74 R CB 0.399 30.850 30.300 0.251 0.000 1.153 74 R HN 0.572 nan 8.270 nan 0.000 0.515 75 I N 4.760 125.199 120.570 -0.218 0.000 2.337 75 I HA 0.125 4.316 4.170 0.034 0.000 0.291 75 I C 0.145 175.974 176.117 -0.481 0.000 1.046 75 I CA -0.101 61.002 61.300 -0.329 0.000 1.324 75 I CB 0.641 38.428 38.000 -0.354 0.000 1.409 75 I HN 0.361 nan 8.210 nan 0.000 0.494 76 H N 7.638 126.627 119.070 -0.135 0.000 2.640 76 H HA 0.439 5.016 4.556 0.034 0.000 0.297 76 H C -0.409 174.766 175.328 -0.256 0.000 1.073 76 H CA -0.431 55.525 56.048 -0.153 0.000 1.305 76 H CB 0.810 30.524 29.762 -0.078 0.000 1.404 76 H HN 0.383 nan 8.280 nan 0.000 0.459 77 L N 5.719 126.794 121.223 -0.248 0.000 2.322 77 L HA 0.324 4.684 4.340 0.034 0.000 0.279 77 L C -1.950 174.640 176.870 -0.467 0.000 1.036 77 L CA -2.147 52.380 54.840 -0.521 0.000 0.807 77 L CB 1.525 43.186 42.059 -0.662 0.000 1.226 77 L HN 0.338 nan 8.230 nan 0.000 0.433 78 P HA -0.061 nan 4.420 nan 0.000 0.264 78 P C -0.768 176.442 177.300 -0.150 0.000 1.183 78 P CA -0.095 62.757 63.100 -0.414 0.000 0.763 78 P CB 0.609 31.982 31.700 -0.545 0.000 0.807 79 D N 4.670 125.077 120.400 0.012 0.000 2.488 79 D HA -0.007 4.654 4.640 0.034 0.000 0.238 79 D C -1.174 175.259 176.300 0.221 0.000 1.138 79 D CA -1.275 52.809 54.000 0.139 0.000 0.873 79 D CB 0.579 41.462 40.800 0.137 0.000 1.183 79 D HN 0.230 nan 8.370 nan 0.000 0.458 80 P HA -0.021 nan 4.420 nan 0.000 0.220 80 P C 0.520 178.017 177.300 0.329 0.000 1.154 80 P CA 0.484 63.765 63.100 0.301 0.000 0.837 80 P CB 0.250 31.871 31.700 -0.130 0.000 0.815 81 N N 0.326 119.164 118.700 0.231 0.000 2.635 81 N HA -0.077 4.684 4.740 0.034 0.000 0.191 81 N C 1.015 176.661 175.510 0.226 0.000 1.155 81 N CA 0.877 54.054 53.050 0.213 0.000 0.927 81 N CB -0.028 38.606 38.487 0.245 0.000 0.976 81 N HN 0.401 nan 8.380 nan 0.000 0.448 82 K N -1.306 119.228 120.400 0.224 0.000 2.601 82 K HA 0.066 4.407 4.320 0.034 0.000 0.214 82 K C -0.115 176.529 176.600 0.074 0.000 1.628 82 K CA -0.440 55.934 56.287 0.146 0.000 1.036 82 K CB 0.482 33.046 32.500 0.106 0.000 1.352 82 K HN -0.077 nan 8.250 nan 0.000 0.607 83 F N 3.156 123.054 119.950 -0.087 0.000 2.623 83 F HA 0.058 4.606 4.527 0.034 0.000 0.386 83 F C 1.029 176.643 175.800 -0.310 0.000 1.068 83 F CA 0.112 57.921 58.000 -0.319 0.000 1.265 83 F CB 0.539 39.170 39.000 -0.614 0.000 1.026 83 F HN 0.087 nan 8.300 nan 0.000 0.568 84 G N 7.413 115.553 108.800 -1.100 0.000 2.526 84 G HA2 0.128 4.108 3.960 0.034 0.000 0.293 84 G HA3 0.128 4.108 3.960 0.034 0.000 0.293 84 G C -0.832 173.607 174.900 -0.768 0.000 0.882 84 G CA -0.422 44.213 45.100 -0.775 0.000 1.656 84 G HN 0.527 nan 8.290 nan 0.000 0.474 85 F N 2.913 122.790 119.950 -0.121 0.000 2.404 85 F HA 0.305 4.853 4.527 0.034 0.000 0.339 85 F C -0.420 175.474 175.800 0.157 0.000 1.105 85 F CA -2.142 55.962 58.000 0.173 0.000 1.087 85 F CB 2.128 41.380 39.000 0.421 0.000 1.143 85 F HN 0.326 nan 8.300 nan 0.000 0.491 86 P HA -0.073 nan 4.420 nan 0.000 0.250 86 P C -0.834 176.618 177.300 0.254 0.000 1.239 86 P CA 0.982 64.238 63.100 0.261 0.000 0.756 86 P CB 0.094 31.945 31.700 0.251 0.000 1.013 87 D N -1.318 119.284 120.400 0.337 0.000 2.722 87 D HA 0.154 4.815 4.640 0.034 0.000 0.231 87 D C -0.176 176.257 176.300 0.222 0.000 1.218 87 D CA -0.369 53.789 54.000 0.264 0.000 0.753 87 D CB 0.550 41.523 40.800 0.288 0.000 1.471 87 D HN -0.165 nan 8.370 nan 0.000 0.455 88 T N -0.858 113.644 114.554 -0.087 0.000 3.332 88 T HA 0.180 4.551 4.350 0.034 0.000 0.304 88 T C 1.358 175.698 174.700 -0.600 0.000 0.971 88 T CA 0.461 62.272 62.100 -0.483 0.000 0.954 88 T CB -0.209 68.596 68.868 -0.105 0.000 1.175 88 T HN 0.286 nan 8.240 nan 0.000 0.519 89 S N 2.028 117.499 115.700 -0.382 0.000 2.402 89 S HA -0.098 4.393 4.470 0.034 0.000 0.229 89 S C 1.768 176.240 174.600 -0.213 0.000 1.021 89 S CA 0.769 58.834 58.200 -0.224 0.000 0.974 89 S CB -1.182 61.983 63.200 -0.060 0.000 0.800 89 S HN 0.661 nan 8.310 nan 0.000 0.484 90 F N 1.625 121.599 119.950 0.039 0.000 2.583 90 F HA 0.258 4.806 4.527 0.034 0.000 0.297 90 F C 0.709 176.571 175.800 0.103 0.000 1.131 90 F CA -0.730 57.282 58.000 0.020 0.000 1.467 90 F CB -1.391 37.574 39.000 -0.058 0.000 1.097 90 F HN 0.514 nan 8.300 nan 0.000 0.586 91 Y N -0.282 119.789 120.300 -0.383 0.000 2.744 91 Y HA 0.554 5.124 4.550 0.034 0.000 0.330 91 Y C -1.638 174.140 175.900 -0.204 0.000 1.263 91 Y CA -2.085 55.921 58.100 -0.156 0.000 1.065 91 Y CB 0.999 39.438 38.460 -0.034 0.000 1.306 91 Y HN -0.119 nan 8.280 nan 0.000 0.459 92 N N 2.642 121.034 118.700 -0.513 0.000 2.524 92 N HA 0.434 5.195 4.740 0.034 0.000 0.261 92 N C -2.483 172.523 175.510 -0.840 0.000 0.998 92 N CA -2.587 50.072 53.050 -0.652 0.000 0.915 92 N CB 1.948 40.257 38.487 -0.297 0.000 1.187 92 N HN 0.400 nan 8.380 nan 0.000 0.507 93 P HA -0.039 nan 4.420 nan 0.000 0.249 93 P C -0.590 176.537 177.300 -0.289 0.000 1.227 93 P CA 0.913 63.623 63.100 -0.650 0.000 0.753 93 P CB 0.372 31.826 31.700 -0.411 0.000 0.966 94 D N -1.399 118.841 120.400 -0.267 0.000 2.626 94 D HA -0.008 4.653 4.640 0.034 0.000 0.274 94 D C 1.705 177.935 176.300 -0.116 0.000 1.045 94 D CA 1.262 55.168 54.000 -0.156 0.000 0.925 94 D CB 0.147 40.867 40.800 -0.133 0.000 1.260 94 D HN 0.248 nan 8.370 nan 0.000 0.490 95 T N -0.905 113.577 114.554 -0.120 0.000 3.085 95 T HA 0.060 4.430 4.350 0.034 0.000 0.241 95 T C 1.071 175.722 174.700 -0.081 0.000 0.988 95 T CA -0.210 61.840 62.100 -0.083 0.000 1.117 95 T CB 0.138 68.970 68.868 -0.060 0.000 0.978 95 T HN 0.073 nan 8.240 nan 0.000 0.454 96 Q N 1.219 120.981 119.800 -0.063 0.000 2.230 96 Q HA 0.622 4.982 4.340 0.034 0.000 0.253 96 Q C -0.843 175.196 176.000 0.066 0.000 0.919 96 Q CA -1.016 54.786 55.803 -0.002 0.000 0.908 96 Q CB 1.609 30.394 28.738 0.078 0.000 1.245 96 Q HN 0.118 nan 8.270 nan 0.000 0.437 97 R N 2.183 122.639 120.500 -0.072 0.000 2.750 97 R HA 0.517 4.878 4.340 0.034 0.000 0.281 97 R C -0.641 175.597 176.300 -0.103 0.000 0.972 97 R CA -0.920 55.069 56.100 -0.184 0.000 0.912 97 R CB 1.683 31.428 30.300 -0.925 0.000 1.187 97 R HN 0.668 nan 8.270 nan 0.000 0.464 98 L N 2.377 123.551 121.223 -0.081 0.000 2.312 98 L HA 0.502 4.862 4.340 0.034 0.000 0.281 98 L C -0.207 176.775 176.870 0.187 0.000 1.070 98 L CA -0.787 54.009 54.840 -0.074 0.000 0.805 98 L CB 1.484 43.378 42.059 -0.274 0.000 1.174 98 L HN 0.211 nan 8.230 nan 0.000 0.434 99 V N 1.317 121.300 119.914 0.114 0.000 2.709 99 V HA 0.357 4.497 4.120 0.034 0.000 0.308 99 V C -0.630 175.425 176.094 -0.063 0.000 1.062 99 V CA -0.818 61.592 62.300 0.184 0.000 0.901 99 V CB 1.976 33.951 31.823 0.254 0.000 1.003 99 V HN 0.637 nan 8.190 nan 0.000 0.425 100 W N 2.130 123.463 121.300 0.054 0.000 2.215 100 W HA 0.673 5.354 4.660 0.034 0.000 0.342 100 W C 0.331 176.876 176.519 0.043 0.000 1.237 100 W CA 0.091 57.454 57.345 0.030 0.000 1.283 100 W CB 1.099 30.517 29.460 -0.070 0.000 1.131 100 W HN 0.712 nan 8.180 nan 0.000 0.606 101 A N 1.554 124.667 122.820 0.489 0.000 2.486 101 A HA 0.577 4.918 4.320 0.034 0.000 0.300 101 A C -1.637 176.187 177.584 0.400 0.000 1.048 101 A CA -0.693 51.516 52.037 0.287 0.000 0.696 101 A CB 1.031 20.101 19.000 0.117 0.000 1.278 101 A HN 0.672 nan 8.150 nan 0.000 0.405 102 C N 2.237 121.647 119.300 0.184 0.000 2.350 102 C HA 0.629 5.109 4.460 0.034 0.000 0.348 102 C C 1.523 176.397 174.990 -0.193 0.000 1.260 102 C CA 0.443 59.422 59.018 -0.066 0.000 1.966 102 C CB 0.425 28.121 27.740 -0.074 0.000 2.380 102 C HN 1.389 nan 8.230 nan 0.000 0.535 103 V N 3.494 123.235 119.914 -0.288 0.000 3.480 103 V HA 0.528 4.668 4.120 0.034 0.000 0.263 103 V C 0.611 176.559 176.094 -0.244 0.000 1.442 103 V CA 0.847 62.984 62.300 -0.271 0.000 1.053 103 V CB -0.222 31.441 31.823 -0.267 0.000 0.846 103 V HN 0.927 nan 8.190 nan 0.000 0.440 104 G N -0.021 108.531 108.800 -0.414 0.000 2.542 104 G HA2 0.664 4.644 3.960 0.034 0.000 0.311 104 G HA3 0.664 4.644 3.960 0.034 0.000 0.311 104 G C -1.722 172.831 174.900 -0.578 0.000 1.298 104 G CA -0.574 44.302 45.100 -0.373 0.000 0.973 104 G HN 0.494 nan 8.290 nan 0.000 0.487 105 V N 0.939 120.448 119.914 -0.675 0.000 2.891 105 V HA 0.531 4.672 4.120 0.034 0.000 0.304 105 V C -0.935 174.602 176.094 -0.929 0.000 1.171 105 V CA -0.765 61.038 62.300 -0.827 0.000 0.943 105 V CB 2.246 33.752 31.823 -0.527 0.000 1.037 105 V HN 0.869 nan 8.190 nan 0.000 0.427 106 E N 3.302 122.942 120.200 -0.934 0.000 2.621 106 E HA 0.350 4.721 4.350 0.034 0.000 0.263 106 E C -1.269 174.964 176.600 -0.611 0.000 1.033 106 E CA -0.397 55.448 56.400 -0.925 0.000 0.778 106 E CB 1.830 31.094 29.700 -0.726 0.000 1.426 106 E HN 0.510 nan 8.360 nan 0.000 0.394 107 V N 3.752 123.443 119.914 -0.373 0.000 2.416 107 V HA 0.090 4.231 4.120 0.034 0.000 0.260 107 V C 1.013 177.071 176.094 -0.059 0.000 1.018 107 V CA 0.678 62.925 62.300 -0.088 0.000 1.120 107 V CB 0.047 32.059 31.823 0.314 0.000 1.081 107 V HN 0.591 nan 8.190 nan 0.000 0.474 108 G N 5.689 114.405 108.800 -0.140 0.000 2.476 108 G HA2 0.549 4.529 3.960 0.034 0.000 0.269 108 G HA3 0.549 4.529 3.960 0.034 0.000 0.269 108 G C -0.222 174.610 174.900 -0.113 0.000 1.195 108 G CA -0.644 44.390 45.100 -0.110 0.000 0.843 108 G HN 0.537 nan 8.290 nan 0.000 0.545 109 R N 0.516 120.945 120.500 -0.119 0.000 2.514 109 R HA 0.417 4.777 4.340 0.034 0.000 0.296 109 R C -0.312 175.908 176.300 -0.133 0.000 1.012 109 R CA -0.667 55.303 56.100 -0.217 0.000 0.897 109 R CB 2.129 32.273 30.300 -0.261 0.000 1.184 109 R HN 0.658 nan 8.270 nan 0.000 0.440 110 G N 2.418 111.141 108.800 -0.128 0.000 4.766 110 G HA2 0.324 4.305 3.960 0.034 0.000 0.331 110 G HA3 0.324 4.305 3.960 0.034 0.000 0.331 110 G C -0.505 174.365 174.900 -0.050 0.000 1.473 110 G CA -0.132 44.930 45.100 -0.063 0.000 1.076 110 G HN 0.194 nan 8.290 nan 0.000 0.544 111 Q N 0.847 120.616 119.800 -0.051 0.000 2.352 111 Q HA 0.316 4.677 4.340 0.034 0.000 0.270 111 Q C -2.795 173.195 176.000 -0.016 0.000 1.006 111 Q CA -1.358 54.429 55.803 -0.027 0.000 0.880 111 Q CB 3.248 31.962 28.738 -0.040 0.000 1.392 111 Q HN 0.288 nan 8.270 nan 0.000 0.401 112 P HA 0.055 nan 4.420 nan 0.000 0.267 112 P C -0.265 177.041 177.300 0.011 0.000 1.200 112 P CA -0.361 62.743 63.100 0.006 0.000 0.772 112 P CB 0.693 32.399 31.700 0.010 0.000 0.855 113 L N 1.834 123.064 121.223 0.011 0.000 2.473 113 L HA 0.581 4.942 4.340 0.034 0.000 0.268 113 L C 1.373 178.254 176.870 0.017 0.000 1.215 113 L CA 1.430 56.280 54.840 0.017 0.000 0.823 113 L CB -0.159 41.911 42.059 0.019 0.000 1.099 113 L HN 0.824 nan 8.230 nan 0.000 0.483 114 G N 0.202 109.013 108.800 0.019 0.000 2.325 114 G HA2 0.520 4.500 3.960 0.034 0.000 0.297 114 G HA3 0.520 4.500 3.960 0.034 0.000 0.297 114 G C -1.742 173.163 174.900 0.007 0.000 1.448 114 G CA -0.154 44.953 45.100 0.012 0.000 0.838 114 G HN 0.681 nan 8.290 nan 0.000 0.579 115 V N -1.721 118.190 119.914 -0.004 0.000 2.960 115 V HA 1.028 5.168 4.120 0.034 0.000 0.315 115 V C 0.570 176.634 176.094 -0.050 0.000 1.087 115 V CA -0.318 61.973 62.300 -0.015 0.000 0.982 115 V CB 1.619 33.438 31.823 -0.007 0.000 1.039 115 V HN 1.826 nan 8.190 nan 0.000 0.437 116 G N 1.120 109.877 108.800 -0.071 0.000 2.416 116 G HA2 0.737 4.718 3.960 0.034 0.000 0.329 116 G HA3 0.737 4.718 3.960 0.034 0.000 0.329 116 G C -1.284 173.550 174.900 -0.110 0.000 1.173 116 G CA -0.731 44.292 45.100 -0.128 0.000 0.929 116 G HN 1.079 nan 8.290 nan 0.000 0.475 117 I N 0.491 120.995 120.570 -0.109 0.000 2.608 117 I HA 0.732 4.922 4.170 0.034 0.000 0.295 117 I C -0.632 175.454 176.117 -0.052 0.000 1.049 117 I CA -0.573 60.666 61.300 -0.100 0.000 1.063 117 I CB 2.211 40.191 38.000 -0.035 0.000 1.248 117 I HN 0.446 nan 8.210 nan 0.000 0.424 118 S N 3.552 119.177 115.700 -0.126 0.000 2.548 118 S HA 0.956 5.446 4.470 0.034 0.000 0.286 118 S C -0.491 174.199 174.600 0.151 0.000 1.098 118 S CA -0.480 57.802 58.200 0.137 0.000 0.930 118 S CB 1.970 65.104 63.200 -0.111 0.000 1.070 118 S HN 0.990 nan 8.310 nan 0.000 0.480 119 G N 0.960 109.967 108.800 0.344 0.000 2.608 119 G HA2 0.584 4.564 3.960 0.034 0.000 0.291 119 G HA3 0.584 4.564 3.960 0.034 0.000 0.291 119 G C -2.274 172.728 174.900 0.169 0.000 1.425 119 G CA -0.402 44.805 45.100 0.178 0.000 0.787 119 G HN 0.623 nan 8.290 nan 0.000 0.484 120 H N 0.058 119.150 119.070 0.036 0.000 2.947 120 H HA 0.464 5.041 4.556 0.035 0.000 0.354 120 H C -2.373 172.943 175.328 -0.019 0.000 1.085 120 H CA -1.735 54.317 56.048 0.006 0.000 1.253 120 H CB 3.016 32.786 29.762 0.014 0.000 1.757 120 H HN 0.151 nan 8.280 nan 0.000 0.523 121 P HA 0.087 nan 4.420 nan 0.000 0.229 121 P C 0.015 177.442 177.300 0.211 0.000 1.160 121 P CA 0.771 63.972 63.100 0.169 0.000 0.777 121 P CB 0.475 32.197 31.700 0.036 0.000 0.814 122 L N -0.229 121.266 121.223 0.454 0.000 2.495 122 L HA 0.352 4.713 4.340 0.034 0.000 0.248 122 L C -0.430 176.175 176.870 -0.441 0.000 1.229 122 L CA -0.920 53.915 54.840 -0.009 0.000 0.942 122 L CB 0.780 42.875 42.059 0.059 0.000 1.242 122 L HN -0.088 nan 8.230 nan 0.000 0.484 123 L N 1.344 122.386 121.223 -0.302 0.000 2.312 123 L HA 0.390 4.751 4.340 0.034 0.000 0.281 123 L C 0.678 177.422 176.870 -0.209 0.000 1.070 123 L CA 0.183 54.816 54.840 -0.346 0.000 0.805 123 L CB 1.028 43.006 42.059 -0.136 0.000 1.174 123 L HN 0.288 nan 8.230 nan 0.000 0.434 124 N N 4.741 123.307 118.700 -0.224 0.000 2.744 124 N HA 0.006 4.766 4.740 0.034 0.000 0.290 124 N C -1.033 174.478 175.510 0.001 0.000 1.206 124 N CA 0.225 53.190 53.050 -0.143 0.000 1.119 124 N CB -0.278 38.092 38.487 -0.195 0.000 1.449 124 N HN 0.536 nan 8.380 nan 0.000 0.514 125 K N 3.591 123.990 120.400 -0.001 0.000 2.376 125 K HA 0.135 4.476 4.320 0.034 0.000 0.257 125 K C 0.385 176.946 176.600 -0.065 0.000 0.939 125 K CA -0.588 55.724 56.287 0.042 0.000 0.809 125 K CB 1.571 33.946 32.500 -0.209 0.000 1.121 125 K HN 0.220 nan 8.250 nan 0.000 0.425 126 L N 3.355 124.568 121.223 -0.017 0.000 2.013 126 L HA 0.068 4.429 4.340 0.034 0.000 0.204 126 L C -0.259 176.560 176.870 -0.085 0.000 1.081 126 L CA 1.926 56.742 54.840 -0.040 0.000 0.751 126 L CB -0.081 41.978 42.059 0.001 0.000 0.901 126 L HN 0.911 nan 8.230 nan 0.000 0.440 127 D N -2.611 117.743 120.400 -0.076 0.000 2.663 127 D HA 0.190 4.850 4.640 0.034 0.000 0.233 127 D C -1.412 174.891 176.300 0.005 0.000 1.240 127 D CA -0.712 53.248 54.000 -0.067 0.000 0.774 127 D CB 0.144 40.933 40.800 -0.018 0.000 1.443 127 D HN 0.003 nan 8.370 nan 0.000 0.441 128 D N -0.821 119.602 120.400 0.039 0.000 2.425 128 D HA 0.337 4.997 4.640 0.034 0.000 0.247 128 D C 0.784 177.155 176.300 0.119 0.000 1.147 128 D CA 0.157 54.260 54.000 0.172 0.000 0.879 128 D CB 0.958 41.849 40.800 0.151 0.000 1.179 128 D HN 0.404 nan 8.370 nan 0.000 0.456 129 T N 0.098 114.727 114.554 0.125 0.000 3.003 129 T HA 0.057 4.427 4.350 0.034 0.000 0.261 129 T C 1.460 176.163 174.700 0.006 0.000 1.003 129 T CA -0.135 62.008 62.100 0.073 0.000 0.917 129 T CB -0.054 68.890 68.868 0.127 0.000 1.084 129 T HN 0.548 nan 8.240 nan 0.000 0.522 130 E N 2.679 122.891 120.200 0.020 0.000 2.070 130 E HA -0.214 4.156 4.350 0.034 0.000 0.197 130 E C 0.546 177.134 176.600 -0.018 0.000 1.004 130 E CA 1.350 57.742 56.400 -0.013 0.000 0.805 130 E CB 0.066 29.777 29.700 0.018 0.000 0.744 130 E HN 0.521 nan 8.360 nan 0.000 0.451 131 N N -0.816 117.886 118.700 0.004 0.000 2.616 131 N HA 0.293 5.054 4.740 0.034 0.000 0.281 131 N C -1.639 173.868 175.510 -0.005 0.000 1.145 131 N CA 0.091 53.136 53.050 -0.009 0.000 0.919 131 N CB 1.547 40.031 38.487 -0.005 0.000 1.509 131 N HN 0.249 nan 8.380 nan 0.000 0.537 132 A N 1.656 124.462 122.820 -0.023 0.000 2.256 132 A HA 0.672 5.012 4.320 0.034 0.000 0.318 132 A C 0.886 178.458 177.584 -0.021 0.000 1.103 132 A CA 0.109 52.130 52.037 -0.026 0.000 0.860 132 A CB 0.667 19.631 19.000 -0.060 0.000 1.182 132 A HN 0.918 nan 8.150 nan 0.000 0.501 133 S N -1.383 114.310 115.700 -0.011 0.000 2.554 133 S HA 0.606 5.096 4.470 0.034 0.000 0.227 133 S C 0.341 174.945 174.600 0.007 0.000 1.050 133 S CA 0.606 58.805 58.200 -0.001 0.000 0.927 133 S CB 0.097 63.300 63.200 0.005 0.000 0.859 133 S HN 2.133 nan 8.310 nan 0.000 0.494 134 A N 0.281 123.107 122.820 0.010 0.000 2.608 134 A HA 0.599 4.939 4.320 0.034 0.000 0.292 134 A C -1.533 176.092 177.584 0.068 0.000 1.066 134 A CA -0.805 51.256 52.037 0.041 0.000 0.676 134 A CB 0.072 19.102 19.000 0.050 0.000 1.277 134 A HN 0.327 nan 8.150 nan 0.000 0.413 135 Y N 1.734 122.039 120.300 0.010 0.000 2.729 135 Y HA 0.260 4.825 4.550 0.024 0.000 0.331 135 Y C 1.185 177.088 175.900 0.005 0.000 1.208 135 Y CA 0.977 59.082 58.100 0.009 0.000 1.521 135 Y CB 0.382 38.846 38.460 0.007 0.000 1.233 135 Y HN 0.986 nan 8.280 nan 0.000 0.539 136 A N 5.038 128.028 122.820 0.283 0.000 2.520 136 A HA 0.423 4.763 4.320 0.034 0.000 0.235 136 A C 0.181 177.872 177.584 0.178 0.000 1.065 136 A CA -0.083 52.063 52.037 0.181 0.000 0.764 136 A CB -0.205 18.868 19.000 0.122 0.000 1.002 136 A HN 0.981 nan 8.150 nan 0.000 0.502 137 A N 2.823 125.695 122.820 0.088 0.000 2.462 137 A HA 0.394 4.735 4.320 0.034 0.000 0.243 137 A C 0.541 178.144 177.584 0.032 0.000 1.076 137 A CA -0.445 51.619 52.037 0.045 0.000 0.773 137 A CB -0.358 18.655 19.000 0.021 0.000 1.010 137 A HN 0.914 nan 8.150 nan 0.000 0.493 138 N N 0.263 118.968 118.700 0.008 0.000 2.265 138 N HA 0.273 5.034 4.740 0.034 0.000 0.231 138 N C 0.042 175.550 175.510 -0.004 0.000 1.266 138 N CA 1.158 54.207 53.050 -0.002 0.000 0.862 138 N CB 0.254 38.731 38.487 -0.018 0.000 1.100 138 N HN 0.796 nan 8.380 nan 0.000 0.439 139 A N 0.748 123.563 122.820 -0.007 0.000 2.294 139 A HA 0.579 4.920 4.320 0.034 0.000 0.316 139 A C 1.334 178.908 177.584 -0.017 0.000 1.359 139 A CA -0.264 51.766 52.037 -0.013 0.000 0.956 139 A CB -0.152 18.839 19.000 -0.015 0.000 1.155 139 A HN 0.649 nan 8.150 nan 0.000 0.544 140 G N 1.462 110.252 108.800 -0.017 0.000 2.833 140 G HA2 0.141 4.121 3.960 0.034 0.000 0.186 140 G HA3 0.141 4.121 3.960 0.034 0.000 0.186 140 G C 0.310 175.198 174.900 -0.020 0.000 1.437 140 G CA 1.506 46.595 45.100 -0.018 0.000 0.813 140 G HN 1.106 nan 8.290 nan 0.000 0.663 141 V N -0.208 119.693 119.914 -0.022 0.000 2.932 141 V HA 0.445 4.585 4.120 0.034 0.000 0.307 141 V C -0.823 175.254 176.094 -0.027 0.000 1.147 141 V CA -0.104 62.182 62.300 -0.024 0.000 0.951 141 V CB 1.885 33.695 31.823 -0.022 0.000 1.031 141 V HN 0.784 nan 8.190 nan 0.000 0.426 142 D N 2.794 123.174 120.400 -0.032 0.000 3.357 142 D HA -0.165 4.495 4.640 0.034 0.000 0.238 142 D C 0.555 176.830 176.300 -0.041 0.000 1.126 142 D CA 0.943 54.920 54.000 -0.037 0.000 0.984 142 D CB -0.442 40.339 40.800 -0.032 0.000 0.925 142 D HN 0.792 nan 8.370 nan 0.000 0.414 143 N N 0.753 119.425 118.700 -0.047 0.000 2.388 143 N HA 0.065 4.825 4.740 0.034 0.000 0.176 143 N C -0.027 175.444 175.510 -0.065 0.000 1.062 143 N CA -0.170 52.850 53.050 -0.050 0.000 0.895 143 N CB 0.253 38.712 38.487 -0.046 0.000 1.018 143 N HN 0.323 nan 8.380 nan 0.000 0.456 144 R N 1.878 122.335 120.500 -0.072 0.000 2.807 144 R HA -0.167 4.194 4.340 0.034 0.000 0.234 144 R C -0.155 176.095 176.300 -0.083 0.000 0.862 144 R CA 0.944 56.990 56.100 -0.089 0.000 1.034 144 R CB -0.452 29.792 30.300 -0.094 0.000 0.918 144 R HN 0.460 nan 8.270 nan 0.000 0.405 145 E N 1.089 121.230 120.200 -0.097 0.000 2.460 145 E HA 0.289 4.660 4.350 0.034 0.000 0.277 145 E C -1.154 175.409 176.600 -0.062 0.000 1.010 145 E CA -1.059 55.292 56.400 -0.081 0.000 0.838 145 E CB 1.374 31.013 29.700 -0.101 0.000 1.448 145 E HN 0.539 nan 8.360 nan 0.000 0.462 146 C N 2.246 121.520 119.300 -0.042 0.000 2.225 146 C HA 0.600 5.081 4.460 0.034 0.000 0.328 146 C C -0.258 174.730 174.990 -0.003 0.000 1.187 146 C CA -0.226 58.788 59.018 -0.006 0.000 1.665 146 C CB -2.076 25.665 27.740 0.001 0.000 2.253 146 C HN 0.459 nan 8.230 nan 0.000 0.497 147 I N 5.682 126.268 120.570 0.027 0.000 2.846 147 I HA 0.623 4.813 4.170 0.034 0.000 0.307 147 I C 0.185 176.364 176.117 0.103 0.000 1.053 147 I CA -0.187 61.150 61.300 0.062 0.000 1.050 147 I CB 2.403 40.455 38.000 0.087 0.000 1.239 147 I HN 0.699 nan 8.210 nan 0.000 0.439 148 S N 4.756 120.515 115.700 0.098 0.000 2.667 148 S HA 0.894 5.385 4.470 0.034 0.000 0.292 148 S C -0.541 174.091 174.600 0.054 0.000 1.126 148 S CA -0.768 57.481 58.200 0.081 0.000 0.881 148 S CB 2.702 65.933 63.200 0.052 0.000 1.132 148 S HN 0.728 nan 8.310 nan 0.000 0.492 149 M N -0.532 119.050 119.600 -0.030 0.000 3.814 149 M HA 0.573 5.074 4.480 0.034 0.000 0.394 149 M C -2.296 173.888 176.300 -0.193 0.000 1.782 149 M CA -0.707 54.542 55.300 -0.085 0.000 0.824 149 M CB 0.519 33.072 32.600 -0.079 0.000 2.614 149 M HN 0.694 nan 8.290 nan 0.000 0.463 150 D N 0.631 120.906 120.400 -0.208 0.000 2.364 150 D HA 0.372 5.032 4.640 0.034 0.000 0.251 150 D C -1.131 175.098 176.300 -0.118 0.000 1.282 150 D CA -0.220 53.664 54.000 -0.194 0.000 0.927 150 D CB -0.424 40.320 40.800 -0.093 0.000 1.267 150 D HN 0.582 nan 8.370 nan 0.000 0.531 151 Y N 1.366 121.641 120.300 -0.041 0.000 2.945 151 Y HA -0.209 4.361 4.550 0.034 0.000 0.350 151 Y C 1.813 177.675 175.900 -0.064 0.000 1.279 151 Y CA -0.162 57.898 58.100 -0.067 0.000 1.475 151 Y CB 0.715 39.169 38.460 -0.010 0.000 1.330 151 Y HN 0.278 nan 8.280 nan 0.000 0.661 152 K N 3.003 123.475 120.400 0.120 0.000 2.524 152 K HA -0.118 4.222 4.320 0.034 0.000 0.279 152 K C -0.377 176.266 176.600 0.070 0.000 0.993 152 K CA -0.257 56.061 56.287 0.052 0.000 1.030 152 K CB 0.388 32.892 32.500 0.007 0.000 0.891 152 K HN 0.666 nan 8.250 nan 0.000 0.488 153 Q N 3.139 122.979 119.800 0.067 0.000 2.301 153 Q HA 0.023 4.383 4.340 0.034 0.000 0.262 153 Q C -0.920 175.122 176.000 0.070 0.000 1.168 153 Q CA 0.338 56.184 55.803 0.071 0.000 0.908 153 Q CB 0.430 29.210 28.738 0.071 0.000 1.348 153 Q HN 0.607 nan 8.270 nan 0.000 0.441 154 T N 3.696 118.290 114.554 0.067 0.000 2.797 154 T HA 0.353 4.724 4.350 0.034 0.000 0.279 154 T C -0.590 174.171 174.700 0.102 0.000 0.991 154 T CA -0.624 61.522 62.100 0.077 0.000 0.979 154 T CB 1.624 70.522 68.868 0.050 0.000 0.943 154 T HN 0.481 nan 8.240 nan 0.000 0.444 155 Q N 2.480 122.360 119.800 0.134 0.000 2.320 155 Q HA 0.634 4.994 4.340 0.034 0.000 0.268 155 Q C -1.383 174.736 176.000 0.197 0.000 1.023 155 Q CA -0.795 55.139 55.803 0.217 0.000 0.744 155 Q CB 0.832 29.674 28.738 0.174 0.000 1.246 155 Q HN 0.678 nan 8.270 nan 0.000 0.462 156 L N -0.080 121.324 121.223 0.303 0.000 2.469 156 L HA 0.947 5.308 4.340 0.034 0.000 0.256 156 L C -1.641 175.455 176.870 0.375 0.000 1.006 156 L CA -0.829 54.147 54.840 0.228 0.000 0.832 156 L CB 2.205 44.383 42.059 0.199 0.000 1.421 156 L HN 0.561 nan 8.230 nan 0.000 0.410 157 C N 2.249 121.654 119.300 0.174 0.000 2.752 157 C HA 0.794 5.275 4.460 0.034 0.000 0.360 157 C C -1.259 173.790 174.990 0.099 0.000 1.081 157 C CA -0.441 58.709 59.018 0.219 0.000 1.272 157 C CB 0.710 28.564 27.740 0.192 0.000 1.754 157 C HN 0.879 nan 8.230 nan 0.000 0.483 158 L N 6.355 127.685 121.223 0.179 0.000 2.365 158 L HA 0.672 5.032 4.340 0.034 0.000 0.273 158 L C -0.633 176.359 176.870 0.204 0.000 1.000 158 L CA -0.638 54.293 54.840 0.151 0.000 0.819 158 L CB 1.834 43.971 42.059 0.129 0.000 1.284 158 L HN 0.547 nan 8.230 nan 0.000 0.418 159 I N 2.016 122.741 120.570 0.259 0.000 2.410 159 I HA 0.626 4.817 4.170 0.034 0.000 0.286 159 I C 0.276 176.223 176.117 -0.284 0.000 1.009 159 I CA -0.176 61.297 61.300 0.290 0.000 1.111 159 I CB 1.926 40.294 38.000 0.614 0.000 1.262 159 I HN 0.681 nan 8.210 nan 0.000 0.443 160 G N 3.031 111.600 108.800 -0.384 0.000 2.733 160 G HA2 0.438 4.419 3.960 0.034 0.000 0.288 160 G HA3 0.438 4.419 3.960 0.034 0.000 0.288 160 G C 0.321 175.067 174.900 -0.257 0.000 1.373 160 G CA -0.525 44.173 45.100 -0.669 0.000 0.895 160 G HN 0.742 nan 8.290 nan 0.000 0.479 161 C N -1.425 117.751 119.300 -0.206 0.000 2.780 161 C HA 0.483 4.963 4.460 0.034 0.000 0.267 161 C C 0.550 175.479 174.990 -0.102 0.000 1.266 161 C CA -0.667 58.312 59.018 -0.065 0.000 1.709 161 C CB -0.867 26.927 27.740 0.089 0.000 1.975 161 C HN 0.282 nan 8.230 nan 0.000 0.582 162 K N 1.911 122.319 120.400 0.012 0.000 2.238 162 K HA 0.589 4.929 4.320 0.034 0.000 0.239 162 K C -2.869 173.979 176.600 0.413 0.000 0.987 162 K CA -2.279 54.091 56.287 0.137 0.000 0.857 162 K CB 0.862 33.388 32.500 0.043 0.000 1.154 162 K HN 0.046 nan 8.250 nan 0.000 0.439 163 P HA 0.214 nan 4.420 nan 0.000 0.278 163 P C -2.511 174.648 177.300 -0.235 0.000 1.238 163 P CA -1.415 61.475 63.100 -0.350 0.000 0.794 163 P CB 0.205 31.566 31.700 -0.566 0.000 0.955 164 P HA 0.216 nan 4.420 nan 0.000 0.268 164 P C -0.163 177.014 177.300 -0.205 0.000 1.204 164 P CA 0.344 63.333 63.100 -0.185 0.000 0.768 164 P CB 0.544 32.146 31.700 -0.163 0.000 0.842 165 I N 2.579 123.040 120.570 -0.182 0.000 2.307 165 I HA 0.262 4.453 4.170 0.034 0.000 0.289 165 I C 1.400 177.388 176.117 -0.216 0.000 1.021 165 I CA -0.263 60.928 61.300 -0.181 0.000 1.224 165 I CB 1.080 38.993 38.000 -0.145 0.000 1.376 165 I HN 0.384 nan 8.210 nan 0.000 0.470 166 G N 5.598 114.266 108.800 -0.220 0.000 2.535 166 G HA2 0.525 4.506 3.960 0.034 0.000 0.282 166 G HA3 0.525 4.506 3.960 0.034 0.000 0.282 166 G C -0.562 174.243 174.900 -0.157 0.000 1.350 166 G CA -0.261 44.708 45.100 -0.218 0.000 1.039 166 G HN 0.720 nan 8.290 nan 0.000 0.509 167 E N -1.811 118.322 120.200 -0.112 0.000 2.433 167 E HA 0.610 4.981 4.350 0.034 0.000 0.278 167 E C -1.263 175.317 176.600 -0.034 0.000 0.976 167 E CA -1.052 55.265 56.400 -0.139 0.000 0.793 167 E CB 2.438 32.001 29.700 -0.229 0.000 1.311 167 E HN 0.888 nan 8.360 nan 0.000 0.460 168 H N -1.054 117.854 119.070 -0.268 0.000 2.898 168 H HA 0.105 4.682 4.556 0.034 0.000 0.259 168 H C -2.075 173.084 175.328 -0.282 0.000 1.324 168 H CA -1.092 54.816 56.048 -0.233 0.000 1.474 168 H CB -0.457 29.230 29.762 -0.125 0.000 1.873 168 H HN 0.680 nan 8.280 nan 0.000 0.482 169 W N 1.205 122.398 121.300 -0.177 0.000 2.303 169 W HA 0.614 5.296 4.660 0.036 0.000 0.334 169 W C 0.749 177.230 176.519 -0.063 0.000 1.197 169 W CA 0.724 57.984 57.345 -0.142 0.000 1.262 169 W CB 1.792 31.237 29.460 -0.025 0.000 1.153 169 W HN 0.931 nan 8.180 nan 0.000 0.596 170 G N 0.808 109.734 108.800 0.209 0.000 2.663 170 G HA2 0.378 4.358 3.960 0.034 0.000 0.299 170 G HA3 0.378 4.358 3.960 0.034 0.000 0.299 170 G C -2.019 172.956 174.900 0.125 0.000 1.372 170 G CA -1.059 44.132 45.100 0.152 0.000 0.781 170 G HN 0.269 nan 8.290 nan 0.000 0.491 171 K N 0.309 120.764 120.400 0.092 0.000 2.281 171 K HA 0.529 4.869 4.320 0.034 0.000 0.272 171 K C -0.061 176.572 176.600 0.055 0.000 1.048 171 K CA -0.520 55.808 56.287 0.069 0.000 0.898 171 K CB 0.793 33.326 32.500 0.054 0.000 1.128 171 K HN 0.609 nan 8.250 nan 0.000 0.460 172 G N 2.888 111.720 108.800 0.054 0.000 2.741 172 G HA2 0.080 4.061 3.960 0.034 0.000 0.336 172 G HA3 0.080 4.061 3.960 0.034 0.000 0.336 172 G C -0.312 174.607 174.900 0.032 0.000 1.022 172 G CA -0.385 44.738 45.100 0.039 0.000 1.193 172 G HN 0.655 nan 8.290 nan 0.000 0.455 173 S N 3.113 118.829 115.700 0.026 0.000 3.551 173 S HA -0.088 4.403 4.470 0.034 0.000 0.425 173 S C -0.836 173.776 174.600 0.020 0.000 1.149 173 S CA -0.298 57.914 58.200 0.021 0.000 0.912 173 S CB 0.329 63.538 63.200 0.016 0.000 0.641 173 S HN 0.590 nan 8.310 nan 0.000 0.481 174 P HA -0.112 nan 4.420 nan 0.000 0.291 174 P C -0.129 177.180 177.300 0.015 0.000 1.855 174 P CA 0.086 63.196 63.100 0.016 0.000 1.607 174 P CB 0.349 32.056 31.700 0.013 0.000 0.655 175 C N -1.502 117.806 119.300 0.013 0.000 2.441 175 C HA 0.291 4.771 4.460 0.034 0.000 0.318 175 C C 0.038 175.034 174.990 0.010 0.000 1.222 175 C CA -0.134 58.891 59.018 0.012 0.000 1.474 175 C CB 0.784 28.531 27.740 0.012 0.000 2.125 175 C HN 0.415 nan 8.230 nan 0.000 0.479 176 T N 4.814 119.373 114.554 0.008 0.000 2.759 176 T HA 0.285 4.656 4.350 0.034 0.000 0.273 176 T C -0.590 174.114 174.700 0.006 0.000 0.938 176 T CA 0.851 62.956 62.100 0.007 0.000 1.197 176 T CB -0.458 68.414 68.868 0.006 0.000 0.887 176 T HN 0.782 nan 8.240 nan 0.000 0.540 177 Q N 1.121 120.925 119.800 0.006 0.000 3.155 177 Q HA 0.242 4.603 4.340 0.034 0.000 0.186 177 Q C -0.872 175.131 176.000 0.005 0.000 0.949 177 Q CA -0.762 55.044 55.803 0.005 0.000 1.252 177 Q CB 0.602 29.343 28.738 0.006 0.000 1.715 177 Q HN 0.375 nan 8.270 nan 0.000 0.608 178 V N 0.162 120.078 119.914 0.004 0.000 5.981 178 V HA -0.261 3.880 4.120 0.034 0.000 0.233 178 V C 0.800 176.896 176.094 0.004 0.000 0.653 178 V CA 1.050 63.352 62.300 0.004 0.000 0.677 178 V CB -1.543 30.282 31.823 0.004 0.000 0.632 178 V HN 1.030 nan 8.190 nan 0.000 0.464 179 A N 3.654 126.476 122.820 0.004 0.000 3.029 179 A HA 0.481 4.821 4.320 0.034 0.000 0.256 179 A C 0.944 178.530 177.584 0.003 0.000 1.913 179 A CA 0.534 52.573 52.037 0.004 0.000 1.493 179 A CB -0.966 18.036 19.000 0.003 0.000 0.918 179 A HN 2.199 nan 8.150 nan 0.000 0.616 180 V N -2.316 117.600 119.914 0.003 0.000 3.873 180 V HA -0.223 3.917 4.120 0.034 0.000 0.549 180 V C 0.186 176.281 176.094 0.001 0.000 0.709 180 V CA 1.016 63.317 62.300 0.002 0.000 2.119 180 V CB -0.452 31.373 31.823 0.003 0.000 2.498 180 V HN 0.952 nan 8.190 nan 0.000 0.523 181 Q N 3.262 123.062 119.800 0.000 0.000 2.357 181 Q HA 0.417 4.777 4.340 0.034 0.000 0.266 181 Q C -2.679 173.321 176.000 -0.001 0.000 1.021 181 Q CA -2.414 53.389 55.803 -0.001 0.000 0.784 181 Q CB 1.733 30.470 28.738 -0.001 0.000 1.243 181 Q HN 0.702 nan 8.270 nan 0.000 0.465 182 P HA -0.112 nan 4.420 nan 0.000 0.247 182 P C 0.297 177.595 177.300 -0.004 0.000 1.115 182 P CA 1.921 65.019 63.100 -0.002 0.000 0.799 182 P CB -0.032 31.666 31.700 -0.003 0.000 0.721 183 G N 3.058 111.856 108.800 -0.004 0.000 3.288 183 G HA2 -0.170 3.811 3.960 0.034 0.000 0.195 183 G HA3 -0.170 3.811 3.960 0.034 0.000 0.195 183 G C -0.070 174.827 174.900 -0.005 0.000 1.093 183 G CA -0.452 44.644 45.100 -0.006 0.000 0.852 183 G HN 0.497 nan 8.290 nan 0.000 0.453 184 D N 1.701 122.099 120.400 -0.003 0.000 2.536 184 D HA 0.306 4.966 4.640 0.034 0.000 0.260 184 D C 1.210 177.508 176.300 -0.003 0.000 1.270 184 D CA 0.660 54.659 54.000 -0.003 0.000 0.934 184 D CB 0.106 40.906 40.800 -0.001 0.000 1.129 184 D HN 0.543 nan 8.370 nan 0.000 0.533 185 C N 4.902 124.199 119.300 -0.005 0.000 2.624 185 C HA -0.031 4.449 4.460 0.034 0.000 0.396 185 C C -1.644 173.345 174.990 -0.002 0.000 1.305 185 C CA -1.251 57.763 59.018 -0.006 0.000 1.728 185 C CB -0.374 27.358 27.740 -0.012 0.000 2.628 185 C HN 0.560 nan 8.230 nan 0.000 0.622 186 P HA 0.225 nan 4.420 nan 0.000 0.268 186 P C -2.553 174.752 177.300 0.010 0.000 1.208 186 P CA -0.572 62.535 63.100 0.011 0.000 0.777 186 P CB -0.203 31.509 31.700 0.020 0.000 0.875 187 P HA 0.139 nan 4.420 nan 0.000 0.279 187 P C -0.358 176.971 177.300 0.049 0.000 1.318 187 P CA -0.029 63.087 63.100 0.027 0.000 0.819 187 P CB 0.183 31.902 31.700 0.031 0.000 0.927 188 L N 2.916 124.162 121.223 0.039 0.000 2.476 188 L HA 0.399 4.760 4.340 0.034 0.000 0.255 188 L C 0.845 177.838 176.870 0.206 0.000 1.218 188 L CA 0.455 55.359 54.840 0.108 0.000 0.819 188 L CB -0.296 41.743 42.059 -0.033 0.000 1.119 188 L HN 0.471 nan 8.230 nan 0.000 0.485 189 E N 0.767 121.171 120.200 0.339 0.000 2.422 189 E HA 0.244 4.615 4.350 0.034 0.000 0.289 189 E C -1.940 174.706 176.600 0.077 0.000 0.985 189 E CA -0.756 55.787 56.400 0.238 0.000 0.812 189 E CB 1.775 31.530 29.700 0.092 0.000 1.226 189 E HN 0.303 nan 8.360 nan 0.000 0.419 190 L N 5.486 126.593 121.223 -0.192 0.000 2.305 190 L HA 0.540 4.900 4.340 0.034 0.000 0.281 190 L C -1.117 175.510 176.870 -0.405 0.000 1.085 190 L CA -0.052 54.389 54.840 -0.664 0.000 0.813 190 L CB 0.757 42.342 42.059 -0.789 0.000 1.157 190 L HN 0.523 nan 8.230 nan 0.000 0.436 191 I N 5.471 125.727 120.570 -0.523 0.000 2.447 191 I HA 0.368 4.559 4.170 0.034 0.000 0.287 191 I C -0.219 175.721 176.117 -0.296 0.000 1.023 191 I CA -0.654 60.425 61.300 -0.369 0.000 1.083 191 I CB 1.468 39.231 38.000 -0.395 0.000 1.245 191 I HN 0.601 nan 8.210 nan 0.000 0.434 192 N N 3.438 122.044 118.700 -0.157 0.000 2.476 192 N HA 0.569 5.330 4.740 0.034 0.000 0.275 192 N C -0.333 175.151 175.510 -0.043 0.000 1.190 192 N CA -0.070 52.913 53.050 -0.112 0.000 0.977 192 N CB 2.287 40.709 38.487 -0.110 0.000 1.200 192 N HN 0.642 nan 8.380 nan 0.000 0.515 193 T N -1.949 112.577 114.554 -0.047 0.000 2.800 193 T HA 0.139 4.510 4.350 0.034 0.000 0.327 193 T C -1.732 172.914 174.700 -0.090 0.000 1.838 193 T CA -0.718 61.367 62.100 -0.025 0.000 1.024 193 T CB 0.140 69.025 68.868 0.028 0.000 1.755 193 T HN 0.045 nan 8.240 nan 0.000 0.507 194 V N 4.024 123.876 119.914 -0.104 0.000 2.455 194 V HA 0.390 4.531 4.120 0.034 0.000 0.273 194 V C 0.935 176.923 176.094 -0.177 0.000 1.045 194 V CA -0.573 61.602 62.300 -0.207 0.000 0.976 194 V CB 0.554 32.105 31.823 -0.453 0.000 0.993 194 V HN 0.727 nan 8.190 nan 0.000 0.475 195 I N 5.897 126.332 120.570 -0.225 0.000 2.573 195 I HA 0.088 4.279 4.170 0.034 0.000 0.295 195 I C 0.659 176.705 176.117 -0.119 0.000 1.141 195 I CA 0.406 61.536 61.300 -0.283 0.000 1.364 195 I CB -0.308 37.421 38.000 -0.453 0.000 1.447 195 I HN 0.712 nan 8.210 nan 0.000 0.571 196 Q N 4.723 124.469 119.800 -0.091 0.000 2.214 196 Q HA 0.215 4.576 4.340 0.034 0.000 0.251 196 Q C -0.075 175.923 176.000 -0.003 0.000 0.936 196 Q CA -0.973 54.813 55.803 -0.028 0.000 0.894 196 Q CB 1.648 30.232 28.738 -0.257 0.000 1.252 196 Q HN 0.460 nan 8.270 nan 0.000 0.448 197 D N 0.145 120.599 120.400 0.090 0.000 2.772 197 D HA -0.126 4.534 4.640 0.034 0.000 0.227 197 D C 0.576 176.885 176.300 0.016 0.000 1.114 197 D CA 1.998 56.037 54.000 0.064 0.000 0.832 197 D CB 0.267 41.108 40.800 0.068 0.000 1.154 197 D HN 0.846 nan 8.370 nan 0.000 0.514 198 G N 3.869 112.705 108.800 0.060 0.000 2.278 198 G HA2 -0.215 3.766 3.960 0.034 0.000 0.210 198 G HA3 -0.215 3.766 3.960 0.034 0.000 0.210 198 G C 0.014 174.953 174.900 0.066 0.000 1.000 198 G CA 0.072 45.200 45.100 0.047 0.000 0.635 198 G HN 0.639 nan 8.290 nan 0.000 0.495 199 D N 2.342 122.771 120.400 0.048 0.000 2.515 199 D HA 0.267 4.928 4.640 0.034 0.000 0.232 199 D C 1.211 177.624 176.300 0.188 0.000 1.157 199 D CA 0.422 54.451 54.000 0.048 0.000 0.871 199 D CB 0.307 41.051 40.800 -0.093 0.000 1.200 199 D HN 0.111 nan 8.370 nan 0.000 0.466 200 M N 1.752 121.433 119.600 0.135 0.000 2.227 200 M HA 0.081 4.581 4.480 0.034 0.000 0.349 200 M C 0.343 176.817 176.300 0.290 0.000 1.443 200 M CA -0.624 54.779 55.300 0.170 0.000 1.110 200 M CB 0.070 32.725 32.600 0.093 0.000 1.773 200 M HN 0.165 nan 8.290 nan 0.000 0.463 201 V N 0.117 120.150 119.914 0.197 0.000 3.484 201 V HA 0.110 4.251 4.120 0.034 0.000 0.304 201 V C 0.509 176.641 176.094 0.062 0.000 1.116 201 V CA -0.767 61.562 62.300 0.048 0.000 1.187 201 V CB 0.103 31.815 31.823 -0.185 0.000 1.062 201 V HN 0.769 nan 8.190 nan 0.000 0.489 202 D N 0.714 121.149 120.400 0.057 0.000 2.372 202 D HA 0.292 4.952 4.640 0.034 0.000 0.243 202 D C 0.971 177.231 176.300 -0.067 0.000 1.121 202 D CA 0.677 54.686 54.000 0.016 0.000 0.898 202 D CB 1.488 42.264 40.800 -0.041 0.000 1.202 202 D HN 1.034 nan 8.370 nan 0.000 0.428 203 T N -0.361 114.134 114.554 -0.097 0.000 3.058 203 T HA 0.417 4.787 4.350 0.034 0.000 0.278 203 T C 1.081 175.712 174.700 -0.114 0.000 0.974 203 T CA 0.510 62.444 62.100 -0.276 0.000 0.893 203 T CB 0.280 68.639 68.868 -0.849 0.000 1.138 203 T HN 0.572 nan 8.240 nan 0.000 0.529 204 G N 0.883 109.625 108.800 -0.098 0.000 2.367 204 G HA2 -0.090 3.890 3.960 0.034 0.000 0.181 204 G HA3 -0.090 3.890 3.960 0.034 0.000 0.181 204 G C 0.193 174.962 174.900 -0.219 0.000 1.000 204 G CA -0.295 44.697 45.100 -0.179 0.000 0.693 204 G HN 0.462 nan 8.290 nan 0.000 0.480 205 F N 2.359 122.408 119.950 0.164 0.000 2.713 205 F HA 0.477 5.024 4.527 0.033 0.000 0.294 205 F C 1.630 177.575 175.800 0.242 0.000 1.152 205 F CA 0.753 58.876 58.000 0.204 0.000 1.385 205 F CB 0.618 39.743 39.000 0.209 0.000 0.981 205 F HN 0.671 nan 8.300 nan 0.000 0.514 206 G N 0.922 109.886 108.800 0.274 0.000 2.757 206 G HA2 0.095 4.076 3.960 0.034 0.000 0.638 206 G HA3 0.095 4.076 3.960 0.034 0.000 0.638 206 G C -0.916 174.106 174.900 0.204 0.000 1.344 206 G CA -0.683 44.550 45.100 0.222 0.000 0.855 206 G HN 0.604 nan 8.290 nan 0.000 0.537 207 A N 0.285 123.225 122.820 0.200 0.000 2.273 207 A HA 0.978 5.318 4.320 0.034 0.000 0.315 207 A C 0.303 178.003 177.584 0.194 0.000 1.256 207 A CA 0.802 52.926 52.037 0.144 0.000 0.851 207 A CB 0.289 19.374 19.000 0.141 0.000 1.172 207 A HN 2.274 nan 8.150 nan 0.000 0.508 208 M N 0.360 119.962 119.600 0.002 0.000 3.748 208 M HA 0.519 5.019 4.480 0.034 0.000 0.354 208 M C -2.143 174.026 176.300 -0.217 0.000 1.543 208 M CA -0.765 54.577 55.300 0.070 0.000 0.907 208 M CB 1.266 33.961 32.600 0.159 0.000 2.192 208 M HN 0.360 nan 8.290 nan 0.000 0.508 209 D N 0.573 120.930 120.400 -0.072 0.000 2.446 209 D HA 0.480 5.140 4.640 0.034 0.000 0.251 209 D C -0.284 175.989 176.300 -0.045 0.000 1.137 209 D CA -0.462 53.455 54.000 -0.139 0.000 0.890 209 D CB 0.304 41.118 40.800 0.022 0.000 1.071 209 D HN 0.577 nan 8.370 nan 0.000 0.528 210 F N 1.058 121.045 119.950 0.061 0.000 2.333 210 F HA -0.105 4.443 4.527 0.034 0.000 0.300 210 F C 2.262 178.075 175.800 0.023 0.000 1.083 210 F CA 0.544 58.564 58.000 0.034 0.000 1.395 210 F CB 0.007 39.021 39.000 0.023 0.000 1.056 210 F HN 0.282 nan 8.300 nan 0.000 0.529 211 T N -1.430 113.225 114.554 0.170 0.000 2.995 211 T HA -0.124 4.247 4.350 0.034 0.000 0.269 211 T C 2.031 176.784 174.700 0.087 0.000 1.091 211 T CA 1.784 63.952 62.100 0.112 0.000 1.128 211 T CB -0.283 68.628 68.868 0.072 0.000 0.891 211 T HN 0.458 nan 8.240 nan 0.000 0.492 212 T N -1.347 113.261 114.554 0.089 0.000 2.955 212 T HA 0.252 4.622 4.350 0.034 0.000 0.251 212 T C 1.618 176.364 174.700 0.076 0.000 1.002 212 T CA -0.313 61.830 62.100 0.071 0.000 0.970 212 T CB -0.095 68.811 68.868 0.064 0.000 1.091 212 T HN 0.054 nan 8.240 nan 0.000 0.495 213 L N 0.879 122.165 121.223 0.104 0.000 2.418 213 L HA 0.374 4.734 4.340 0.034 0.000 0.218 213 L C 0.807 177.719 176.870 0.069 0.000 1.125 213 L CA 1.236 56.132 54.840 0.094 0.000 0.835 213 L CB -0.802 41.335 42.059 0.129 0.000 0.953 213 L HN 0.507 nan 8.230 nan 0.000 0.454 214 Q N -1.091 118.758 119.800 0.081 0.000 2.523 214 Q HA 0.350 4.710 4.340 0.034 0.000 0.251 214 Q C 0.732 176.746 176.000 0.024 0.000 1.033 214 Q CA -0.092 55.730 55.803 0.032 0.000 0.746 214 Q CB 1.734 30.491 28.738 0.031 0.000 1.189 214 Q HN 0.119 nan 8.270 nan 0.000 0.508 215 A N 2.602 125.426 122.820 0.006 0.000 2.014 215 A HA -0.175 4.166 4.320 0.034 0.000 0.218 215 A C 1.758 179.337 177.584 -0.009 0.000 1.163 215 A CA 1.209 53.248 52.037 0.004 0.000 0.652 215 A CB -0.242 18.757 19.000 -0.000 0.000 0.808 215 A HN 0.761 nan 8.150 nan 0.000 0.449 216 N N 0.229 118.911 118.700 -0.030 0.000 2.184 216 N HA -0.257 4.503 4.740 0.034 0.000 0.190 216 N C 0.680 176.164 175.510 -0.044 0.000 1.011 216 N CA 1.813 54.832 53.050 -0.052 0.000 0.867 216 N CB -0.262 38.169 38.487 -0.093 0.000 0.993 216 N HN 0.512 nan 8.380 nan 0.000 0.433 217 K N -0.631 119.756 120.400 -0.022 0.000 3.129 217 K HA -0.176 4.165 4.320 0.034 0.000 0.273 217 K C -1.090 175.544 176.600 0.056 0.000 1.123 217 K CA 0.883 57.184 56.287 0.024 0.000 0.800 217 K CB -1.718 30.801 32.500 0.030 0.000 1.238 217 K HN 0.461 nan 8.250 nan 0.000 0.492 218 S N -1.505 114.155 115.700 -0.066 0.000 3.202 218 S HA 0.082 4.573 4.470 0.034 0.000 0.132 218 S C -0.240 174.124 174.600 -0.393 0.000 0.854 218 S CA -0.770 57.270 58.200 -0.267 0.000 0.832 218 S CB 0.031 62.947 63.200 -0.473 0.000 1.430 218 S HN 0.298 nan 8.310 nan 0.000 0.643 219 E N 1.115 121.091 120.200 -0.373 0.000 2.498 219 E HA 0.302 4.673 4.350 0.034 0.000 0.203 219 E C 0.418 176.613 176.600 -0.676 0.000 1.013 219 E CA 0.329 56.404 56.400 -0.543 0.000 0.927 219 E CB 1.367 30.727 29.700 -0.567 0.000 1.012 219 E HN 0.787 nan 8.360 nan 0.000 0.482 220 V N -2.571 117.063 119.914 -0.466 0.000 3.023 220 V HA 0.336 4.477 4.120 0.034 0.000 0.294 220 V C -3.100 172.993 176.094 -0.003 0.000 1.324 220 V CA -2.851 59.197 62.300 -0.419 0.000 0.979 220 V CB 1.624 32.942 31.823 -0.842 0.000 1.093 220 V HN -0.243 nan 8.190 nan 0.000 0.434 221 P HA 0.020 nan 4.420 nan 0.000 0.267 221 P C 1.038 178.542 177.300 0.341 0.000 1.175 221 P CA 0.171 63.481 63.100 0.351 0.000 0.763 221 P CB 0.376 32.348 31.700 0.454 0.000 0.795 222 L N 2.807 124.193 121.223 0.271 0.000 2.123 222 L HA -0.272 4.088 4.340 0.034 0.000 0.217 222 L C 1.797 178.881 176.870 0.356 0.000 1.081 222 L CA 2.520 57.482 54.840 0.203 0.000 0.772 222 L CB -1.441 40.696 42.059 0.131 0.000 0.890 222 L HN 0.526 nan 8.230 nan 0.000 0.437 223 D N -1.493 119.200 120.400 0.487 0.000 2.277 223 D HA -0.127 4.533 4.640 0.034 0.000 0.208 223 D C 1.919 178.414 176.300 0.326 0.000 0.962 223 D CA 1.197 55.439 54.000 0.405 0.000 0.865 223 D CB -0.366 40.647 40.800 0.356 0.000 0.939 223 D HN 0.505 nan 8.370 nan 0.000 0.510 224 I N 0.006 120.788 120.570 0.353 0.000 2.585 224 I HA -0.023 4.167 4.170 0.034 0.000 0.254 224 I C 1.953 178.356 176.117 0.477 0.000 1.129 224 I CA 0.397 61.948 61.300 0.418 0.000 1.455 224 I CB -1.205 37.138 38.000 0.571 0.000 1.111 224 I HN 0.161 nan 8.210 nan 0.000 0.433 225 C N 1.547 121.012 119.300 0.275 0.000 2.397 225 C HA -0.088 4.392 4.460 0.034 0.000 0.286 225 C C 2.382 177.518 174.990 0.244 0.000 1.308 225 C CA 1.194 60.322 59.018 0.183 0.000 1.805 225 C CB -2.487 25.322 27.740 0.115 0.000 1.952 225 C HN 0.725 nan 8.230 nan 0.000 0.518 226 T N -2.533 112.155 114.554 0.223 0.000 3.084 226 T HA 0.312 4.683 4.350 0.034 0.000 0.270 226 T C 0.493 175.279 174.700 0.143 0.000 1.008 226 T CA 0.337 62.528 62.100 0.153 0.000 0.900 226 T CB 0.004 68.936 68.868 0.107 0.000 1.084 226 T HN 0.596 nan 8.240 nan 0.000 0.538 227 S N 1.290 117.108 115.700 0.196 0.000 2.694 227 S HA 0.808 5.299 4.470 0.034 0.000 0.286 227 S C -0.808 173.767 174.600 -0.043 0.000 1.080 227 S CA -0.867 57.385 58.200 0.087 0.000 0.953 227 S CB 0.452 63.701 63.200 0.082 0.000 1.313 227 S HN 0.166 nan 8.310 nan 0.000 0.555 228 I N 0.706 121.195 120.570 -0.134 0.000 2.418 228 I HA 0.344 4.534 4.170 0.034 0.000 0.287 228 I C -0.980 174.997 176.117 -0.233 0.000 1.008 228 I CA -0.396 60.725 61.300 -0.299 0.000 1.104 228 I CB 0.958 38.728 38.000 -0.384 0.000 1.264 228 I HN 0.534 nan 8.210 nan 0.000 0.438 229 C N 5.799 124.921 119.300 -0.297 0.000 2.285 229 C HA 0.557 5.037 4.460 0.034 0.000 0.335 229 C C 0.385 175.360 174.990 -0.026 0.000 1.267 229 C CA -0.769 58.184 59.018 -0.109 0.000 1.762 229 C CB -0.597 27.064 27.740 -0.131 0.000 2.365 229 C HN 0.642 nan 8.230 nan 0.000 0.527 230 K N 2.304 122.755 120.400 0.086 0.000 2.397 230 K HA 0.467 4.807 4.320 0.034 0.000 0.253 230 K C -1.428 175.315 176.600 0.239 0.000 0.932 230 K CA -0.546 55.789 56.287 0.080 0.000 0.795 230 K CB 2.148 34.584 32.500 -0.107 0.000 1.159 230 K HN 0.622 nan 8.250 nan 0.000 0.424 231 Y N 3.430 123.740 120.300 0.016 0.000 2.350 231 Y HA 0.348 4.920 4.550 0.035 0.000 0.338 231 Y C -2.615 173.195 175.900 -0.151 0.000 0.961 231 Y CA -2.768 55.345 58.100 0.023 0.000 1.100 231 Y CB 1.499 39.947 38.460 -0.020 0.000 1.179 231 Y HN 0.434 nan 8.280 nan 0.000 0.454 232 P HA -0.104 nan 4.420 nan 0.000 0.253 232 P C -0.608 176.068 177.300 -1.039 0.000 1.159 232 P CA 0.690 63.296 63.100 -0.824 0.000 0.779 232 P CB 0.268 31.391 31.700 -0.962 0.000 0.745 233 D N 3.237 123.298 120.400 -0.566 0.000 2.489 233 D HA -0.024 4.637 4.640 0.034 0.000 0.237 233 D C 0.739 176.834 176.300 -0.342 0.000 1.212 233 D CA 0.255 54.006 54.000 -0.414 0.000 1.058 233 D CB -0.352 40.307 40.800 -0.234 0.000 1.098 233 D HN 0.375 nan 8.370 nan 0.000 0.509 234 Y N 1.891 122.021 120.300 -0.283 0.000 2.060 234 Y HA -0.244 4.326 4.550 0.034 0.000 0.276 234 Y C 2.362 178.148 175.900 -0.189 0.000 1.127 234 Y CA -0.112 57.802 58.100 -0.311 0.000 1.104 234 Y CB -0.103 38.143 38.460 -0.357 0.000 0.983 234 Y HN 0.256 nan 8.280 nan 0.000 0.483 235 I N 0.850 121.438 120.570 0.031 0.000 2.231 235 I HA -0.427 3.764 4.170 0.034 0.000 0.251 235 I C 2.192 178.305 176.117 -0.007 0.000 1.076 235 I CA 1.667 62.977 61.300 0.017 0.000 1.347 235 I CB -1.195 36.810 38.000 0.009 0.000 1.038 235 I HN 0.323 nan 8.210 nan 0.000 0.429 236 K N -0.050 120.326 120.400 -0.041 0.000 1.991 236 K HA -0.075 4.266 4.320 0.034 0.000 0.207 236 K C 2.254 178.836 176.600 -0.030 0.000 1.045 236 K CA 1.041 57.303 56.287 -0.041 0.000 0.937 236 K CB -0.034 32.424 32.500 -0.070 0.000 0.720 236 K HN 0.177 nan 8.250 nan 0.000 0.438 237 M N 0.584 120.151 119.600 -0.055 0.000 2.082 237 M HA -0.209 4.292 4.480 0.034 0.000 0.258 237 M C 2.173 178.472 176.300 -0.001 0.000 1.069 237 M CA 1.534 56.810 55.300 -0.040 0.000 1.102 237 M CB -0.368 32.186 32.600 -0.075 0.000 1.336 237 M HN 0.010 nan 8.290 nan 0.000 0.404 238 V N -0.529 119.382 119.914 -0.005 0.000 2.515 238 V HA -0.177 3.964 4.120 0.034 0.000 0.250 238 V C 2.105 178.233 176.094 0.057 0.000 1.058 238 V CA 1.717 64.037 62.300 0.033 0.000 1.064 238 V CB -0.507 31.338 31.823 0.037 0.000 0.675 238 V HN 0.419 nan 8.190 nan 0.000 0.461 239 S N -0.491 115.233 115.700 0.041 0.000 2.603 239 S HA -0.045 4.445 4.470 0.034 0.000 0.229 239 S C 0.860 175.497 174.600 0.062 0.000 0.972 239 S CA 0.095 58.325 58.200 0.050 0.000 0.935 239 S CB -0.405 62.815 63.200 0.033 0.000 0.769 239 S HN 0.756 nan 8.310 nan 0.000 0.536 240 E N 3.461 123.701 120.200 0.068 0.000 2.493 240 E HA -0.005 4.366 4.350 0.034 0.000 0.255 240 E C -1.031 175.647 176.600 0.131 0.000 0.999 240 E CA -1.217 55.238 56.400 0.091 0.000 0.934 240 E CB 0.512 30.263 29.700 0.086 0.000 0.940 240 E HN 0.075 nan 8.360 nan 0.000 0.473 241 P HA -0.216 nan 4.420 nan 0.000 0.214 241 P C 0.621 177.971 177.300 0.083 0.000 1.163 241 P CA 1.525 64.656 63.100 0.051 0.000 0.883 241 P CB -0.153 31.519 31.700 -0.047 0.000 0.788 242 Y N -0.174 120.191 120.300 0.108 0.000 2.583 242 Y HA 0.233 4.804 4.550 0.034 0.000 0.293 242 Y C 1.768 177.830 175.900 0.271 0.000 1.157 242 Y CA 0.925 59.123 58.100 0.164 0.000 1.315 242 Y CB -0.910 37.613 38.460 0.105 0.000 1.021 242 Y HN 0.099 nan 8.280 nan 0.000 0.536 243 G N 0.831 109.844 108.800 0.356 0.000 2.323 243 G HA2 -0.333 3.648 3.960 0.034 0.000 0.292 243 G HA3 -0.333 3.648 3.960 0.034 0.000 0.292 243 G C 0.383 175.457 174.900 0.290 0.000 1.040 243 G CA 0.702 45.985 45.100 0.304 0.000 0.942 243 G HN 0.402 nan 8.290 nan 0.000 0.506 244 D N -0.368 120.175 120.400 0.239 0.000 2.327 244 D HA 0.129 4.789 4.640 0.034 0.000 0.205 244 D C 2.456 178.764 176.300 0.013 0.000 0.989 244 D CA 1.016 55.126 54.000 0.183 0.000 0.873 244 D CB 0.141 41.059 40.800 0.195 0.000 0.955 244 D HN 0.400 nan 8.370 nan 0.000 0.515 245 S N 0.449 116.151 115.700 0.002 0.000 2.436 245 S HA -0.041 4.449 4.470 0.034 0.000 0.215 245 S C 1.018 175.510 174.600 -0.180 0.000 1.047 245 S CA 0.796 58.959 58.200 -0.062 0.000 1.086 245 S CB -0.356 62.824 63.200 -0.034 0.000 1.072 245 S HN 0.310 nan 8.310 nan 0.000 0.411 246 L N -1.540 119.594 121.223 -0.148 0.000 2.350 246 L HA 0.705 5.065 4.340 0.034 0.000 0.260 246 L C -0.308 176.567 176.870 0.008 0.000 1.015 246 L CA -0.914 53.794 54.840 -0.220 0.000 0.821 246 L CB 1.592 43.612 42.059 -0.064 0.000 1.370 246 L HN 0.389 nan 8.230 nan 0.000 0.416 247 F N -0.742 119.323 119.950 0.192 0.000 2.883 247 F HA 0.498 5.045 4.527 0.034 0.000 0.351 247 F C -0.326 175.630 175.800 0.261 0.000 0.970 247 F CA -1.102 57.016 58.000 0.196 0.000 1.130 247 F CB -0.172 38.927 39.000 0.165 0.000 1.015 247 F HN 0.314 nan 8.300 nan 0.000 0.585 248 F N 2.964 123.339 119.950 0.707 0.000 2.507 248 F HA 0.675 5.223 4.527 0.035 0.000 0.325 248 F C -1.308 174.626 175.800 0.223 0.000 1.116 248 F CA -2.019 56.164 58.000 0.304 0.000 0.930 248 F CB 1.679 40.812 39.000 0.222 0.000 1.146 248 F HN 0.113 nan 8.300 nan 0.000 0.447 249 Y N 5.468 125.102 120.300 -1.110 0.000 2.521 249 Y HA 0.640 5.210 4.550 0.034 0.000 0.326 249 Y C -2.636 172.769 175.900 -0.825 0.000 1.176 249 Y CA -1.993 55.603 58.100 -0.839 0.000 1.079 249 Y CB 0.698 38.908 38.460 -0.416 0.000 1.341 249 Y HN 0.561 nan 8.280 nan 0.000 0.456 250 L N 1.929 122.785 121.223 -0.611 0.000 2.493 250 L HA 0.777 5.137 4.340 0.034 0.000 0.265 250 L C -0.796 175.931 176.870 -0.238 0.000 0.954 250 L CA -1.910 52.613 54.840 -0.529 0.000 0.844 250 L CB 1.778 43.467 42.059 -0.617 0.000 1.302 250 L HN 0.927 nan 8.230 nan 0.000 0.405 251 R N 0.965 121.380 120.500 -0.141 0.000 2.778 251 R HA 0.962 5.323 4.340 0.034 0.000 0.277 251 R C -0.646 175.651 176.300 -0.005 0.000 0.977 251 R CA -0.900 55.200 56.100 0.001 0.000 0.950 251 R CB 2.229 32.571 30.300 0.070 0.000 1.165 251 R HN 0.681 nan 8.270 nan 0.000 0.474 252 R N 1.287 121.818 120.500 0.052 0.000 3.124 252 R HA 0.090 4.450 4.340 0.034 0.000 0.212 252 R C -1.616 174.729 176.300 0.074 0.000 1.677 252 R CA -0.203 55.920 56.100 0.038 0.000 1.186 252 R CB 0.774 31.077 30.300 0.005 0.000 1.571 252 R HN 0.927 nan 8.270 nan 0.000 0.583 253 E N 2.083 122.337 120.200 0.090 0.000 2.191 253 E HA 0.412 4.783 4.350 0.034 0.000 0.274 253 E C -1.071 175.566 176.600 0.062 0.000 0.948 253 E CA -1.060 55.391 56.400 0.084 0.000 0.802 253 E CB 2.012 31.773 29.700 0.101 0.000 1.137 253 E HN 0.397 nan 8.360 nan 0.000 0.397 254 Q N 3.088 122.924 119.800 0.059 0.000 2.268 254 Q HA 0.537 4.897 4.340 0.034 0.000 0.266 254 Q C -1.012 175.034 176.000 0.077 0.000 1.006 254 Q CA -0.881 54.959 55.803 0.061 0.000 0.824 254 Q CB 2.204 30.976 28.738 0.057 0.000 1.306 254 Q HN 0.658 nan 8.270 nan 0.000 0.424 255 M N 3.313 122.965 119.600 0.088 0.000 2.683 255 M HA 0.793 5.294 4.480 0.034 0.000 0.274 255 M C -2.048 174.367 176.300 0.192 0.000 1.272 255 M CA -0.740 54.621 55.300 0.101 0.000 0.833 255 M CB 2.580 35.188 32.600 0.014 0.000 1.708 255 M HN 0.969 nan 8.290 nan 0.000 0.463 256 F N 0.076 120.001 119.950 -0.043 0.000 2.817 256 F HA 0.693 5.240 4.527 0.033 0.000 0.317 256 F C -1.887 173.871 175.800 -0.070 0.000 1.168 256 F CA -1.072 56.897 58.000 -0.052 0.000 0.911 256 F CB 0.618 39.589 39.000 -0.049 0.000 1.337 256 F HN 0.333 nan 8.300 nan 0.000 0.464 257 V N 2.069 121.972 119.914 -0.019 0.000 2.389 257 V HA 0.456 4.596 4.120 0.034 0.000 0.264 257 V C 0.765 176.676 176.094 -0.305 0.000 1.049 257 V CA -0.199 62.007 62.300 -0.156 0.000 0.932 257 V CB 0.532 32.344 31.823 -0.019 0.000 1.011 257 V HN 1.013 nan 8.190 nan 0.000 0.475 258 R N 3.274 123.487 120.500 -0.479 0.000 2.066 258 R HA 0.171 4.532 4.340 0.034 0.000 0.224 258 R C 0.553 176.639 176.300 -0.357 0.000 1.122 258 R CA 1.252 57.115 56.100 -0.396 0.000 0.974 258 R CB 0.038 30.131 30.300 -0.346 0.000 0.871 258 R HN 0.864 nan 8.270 nan 0.000 0.435 259 H N -2.369 116.489 119.070 -0.353 0.000 2.949 259 H HA 0.579 5.155 4.556 0.033 0.000 0.310 259 H C -1.518 173.457 175.328 -0.588 0.000 1.405 259 H CA -0.697 55.089 56.048 -0.437 0.000 1.253 259 H CB 1.390 30.768 29.762 -0.640 0.000 1.932 259 H HN -0.069 nan 8.280 nan 0.000 0.602 260 L N 1.172 122.148 121.223 -0.411 0.000 2.438 260 L HA 0.445 4.805 4.340 0.034 0.000 0.270 260 L C -1.300 175.419 176.870 -0.253 0.000 0.972 260 L CA -0.031 54.606 54.840 -0.339 0.000 0.831 260 L CB 1.233 43.199 42.059 -0.154 0.000 1.273 260 L HN 0.462 nan 8.230 nan 0.000 0.405 261 F N 0.302 120.010 119.950 -0.404 0.000 2.691 261 F HA 0.490 5.036 4.527 0.032 0.000 0.334 261 F C -0.043 175.631 175.800 -0.210 0.000 1.107 261 F CA -1.109 56.622 58.000 -0.448 0.000 0.991 261 F CB 2.237 40.712 39.000 -0.875 0.000 1.400 261 F HN 0.395 nan 8.300 nan 0.000 0.503 262 N N 0.369 119.164 118.700 0.158 0.000 2.284 262 N HA 0.297 5.057 4.740 0.034 0.000 0.300 262 N C -1.326 174.340 175.510 0.260 0.000 1.047 262 N CA -0.785 52.374 53.050 0.180 0.000 0.821 262 N CB 1.273 39.809 38.487 0.082 0.000 1.337 262 N HN 0.371 nan 8.380 nan 0.000 0.482 263 R N 1.826 122.470 120.500 0.240 0.000 2.234 263 R HA 0.328 4.688 4.340 0.034 0.000 0.324 263 R C -0.330 175.993 176.300 0.037 0.000 1.054 263 R CA -0.301 55.897 56.100 0.163 0.000 0.912 263 R CB 1.080 31.427 30.300 0.078 0.000 1.030 263 R HN 0.542 nan 8.270 nan 0.000 0.455 264 A N 1.639 124.468 122.820 0.014 0.000 2.332 264 A HA 0.689 5.029 4.320 0.034 0.000 0.258 264 A C 0.574 178.138 177.584 -0.034 0.000 1.087 264 A CA 0.543 52.570 52.037 -0.017 0.000 0.802 264 A CB 0.608 19.589 19.000 -0.031 0.000 1.042 264 A HN 0.836 nan 8.150 nan 0.000 0.489 265 G N -0.605 108.175 108.800 -0.034 0.000 2.371 265 G HA2 0.438 4.419 3.960 0.034 0.000 0.663 265 G HA3 0.438 4.419 3.960 0.034 0.000 0.663 265 G C -0.163 174.716 174.900 -0.034 0.000 1.311 265 G CA -0.068 45.010 45.100 -0.037 0.000 0.985 265 G HN 1.997 nan 8.290 nan 0.000 0.566 266 T N -1.727 112.808 114.554 -0.031 0.000 2.898 266 T HA 0.493 4.864 4.350 0.034 0.000 0.301 266 T C 0.806 175.488 174.700 -0.029 0.000 1.049 266 T CA 0.001 62.085 62.100 -0.027 0.000 1.095 266 T CB 1.410 70.264 68.868 -0.023 0.000 0.976 266 T HN 1.525 nan 8.240 nan 0.000 0.539 267 V N 3.812 123.711 119.914 -0.026 0.000 2.452 267 V HA 0.189 4.329 4.120 0.034 0.000 0.286 267 V C 1.820 177.902 176.094 -0.020 0.000 0.995 267 V CA 0.787 63.071 62.300 -0.025 0.000 1.116 267 V CB -0.250 31.561 31.823 -0.019 0.000 0.954 267 V HN 1.213 nan 8.190 nan 0.000 0.473 268 G N 4.639 113.425 108.800 -0.022 0.000 2.421 268 G HA2 -0.002 3.978 3.960 0.034 0.000 0.217 268 G HA3 -0.002 3.978 3.960 0.034 0.000 0.217 268 G C 0.434 175.327 174.900 -0.011 0.000 1.143 268 G CA 0.268 45.358 45.100 -0.018 0.000 0.784 268 G HN 0.685 nan 8.290 nan 0.000 0.541 269 E N -0.945 119.248 120.200 -0.011 0.000 2.378 269 E HA 0.234 4.605 4.350 0.034 0.000 0.283 269 E C -1.775 174.825 176.600 0.000 0.000 0.979 269 E CA -0.736 55.662 56.400 -0.002 0.000 0.795 269 E CB 1.473 31.172 29.700 -0.002 0.000 1.221 269 E HN 0.061 nan 8.360 nan 0.000 0.428 270 N N 0.336 119.044 118.700 0.013 0.000 2.473 270 N HA 0.265 5.025 4.740 0.034 0.000 0.291 270 N C -0.888 174.649 175.510 0.045 0.000 1.083 270 N CA -0.449 52.617 53.050 0.026 0.000 0.951 270 N CB 1.434 39.943 38.487 0.037 0.000 1.164 270 N HN 0.090 nan 8.380 nan 0.000 0.480 271 V N 3.674 123.617 119.914 0.049 0.000 2.493 271 V HA 0.088 4.229 4.120 0.034 0.000 0.292 271 V C -1.845 174.372 176.094 0.204 0.000 1.016 271 V CA -0.891 61.467 62.300 0.095 0.000 1.097 271 V CB -0.142 31.685 31.823 0.007 0.000 0.947 271 V HN 0.647 nan 8.190 nan 0.000 0.479 272 P HA 0.143 nan 4.420 nan 0.000 0.271 272 P C 0.010 177.419 177.300 0.181 0.000 1.216 272 P CA -0.339 62.844 63.100 0.138 0.000 0.771 272 P CB 0.408 32.159 31.700 0.086 0.000 0.864 273 D N 0.644 121.060 120.400 0.027 0.000 2.348 273 D HA -0.100 4.561 4.640 0.034 0.000 0.248 273 D C 0.295 176.405 176.300 -0.315 0.000 1.142 273 D CA 0.494 54.324 54.000 -0.284 0.000 0.904 273 D CB -0.598 40.074 40.800 -0.214 0.000 0.901 273 D HN 0.387 nan 8.370 nan 0.000 0.523 274 D N -0.153 120.178 120.400 -0.116 0.000 2.474 274 D HA -0.011 4.649 4.640 0.034 0.000 0.213 274 D C 1.529 177.825 176.300 -0.006 0.000 1.120 274 D CA -0.162 53.795 54.000 -0.072 0.000 0.836 274 D CB -0.271 40.515 40.800 -0.024 0.000 1.019 274 D HN 0.261 nan 8.370 nan 0.000 0.507 275 L N 0.012 121.283 121.223 0.080 0.000 2.612 275 L HA 0.210 4.571 4.340 0.034 0.000 0.230 275 L C 0.277 177.331 176.870 0.307 0.000 1.140 275 L CA -0.004 54.944 54.840 0.181 0.000 0.896 275 L CB -0.763 41.425 42.059 0.215 0.000 1.065 275 L HN 0.112 nan 8.230 nan 0.000 0.447 276 Y N -2.324 117.994 120.300 0.030 0.000 2.955 276 Y HA 0.688 5.250 4.550 0.019 0.000 0.330 276 Y C -1.353 174.564 175.900 0.029 0.000 1.480 276 Y CA -1.959 56.161 58.100 0.033 0.000 1.096 276 Y CB 0.905 39.390 38.460 0.043 0.000 1.828 276 Y HN -0.246 nan 8.280 nan 0.000 0.428 277 I N 1.891 122.578 120.570 0.194 0.000 2.533 277 I HA 0.334 4.525 4.170 0.034 0.000 0.290 277 I C -0.769 175.448 176.117 0.167 0.000 1.056 277 I CA -1.418 59.906 61.300 0.040 0.000 1.057 277 I CB 1.868 39.900 38.000 0.053 0.000 1.240 277 I HN 0.421 nan 8.210 nan 0.000 0.423 278 K N 3.028 123.463 120.400 0.059 0.000 2.619 278 K HA -0.032 4.309 4.320 0.034 0.000 0.278 278 K C 0.496 177.161 176.600 0.108 0.000 0.969 278 K CA 0.434 56.787 56.287 0.111 0.000 1.042 278 K CB 0.481 33.003 32.500 0.036 0.000 0.845 278 K HN 0.952 nan 8.250 nan 0.000 0.497 279 G N 0.182 109.039 108.800 0.094 0.000 3.134 279 G HA2 0.416 4.396 3.960 0.034 0.000 0.158 279 G HA3 0.416 4.396 3.960 0.034 0.000 0.158 279 G C -0.699 174.216 174.900 0.025 0.000 1.334 279 G CA -0.031 45.105 45.100 0.060 0.000 1.001 279 G HN 0.629 nan 8.290 nan 0.000 0.600 280 S N -1.929 113.773 115.700 0.002 0.000 2.543 280 S HA 0.571 5.062 4.470 0.034 0.000 0.271 280 S C 0.705 175.286 174.600 -0.031 0.000 1.148 280 S CA 0.621 58.817 58.200 -0.007 0.000 0.914 280 S CB 1.192 64.394 63.200 0.002 0.000 1.096 280 S HN 2.335 nan 8.310 nan 0.000 0.471 281 G N 3.921 112.699 108.800 -0.036 0.000 2.685 281 G HA2 -0.437 3.544 3.960 0.034 0.000 0.357 281 G HA3 -0.437 3.544 3.960 0.034 0.000 0.357 281 G C 1.361 176.198 174.900 -0.106 0.000 1.272 281 G CA 2.460 47.527 45.100 -0.054 0.000 0.972 281 G HN 2.140 nan 8.290 nan 0.000 0.550 282 S N -0.481 115.148 115.700 -0.118 0.000 2.407 282 S HA -0.321 4.170 4.470 0.034 0.000 0.244 282 S C 2.381 176.706 174.600 -0.458 0.000 1.077 282 S CA 4.084 62.153 58.200 -0.218 0.000 1.159 282 S CB -1.680 61.459 63.200 -0.101 0.000 1.045 282 S HN 2.106 nan 8.310 nan 0.000 0.438 283 T N -0.672 113.709 114.554 -0.288 0.000 3.160 283 T HA 0.472 4.842 4.350 0.034 0.000 0.257 283 T C 1.438 176.052 174.700 -0.143 0.000 1.147 283 T CA 0.580 62.537 62.100 -0.237 0.000 1.064 283 T CB -0.286 68.623 68.868 0.069 0.000 0.949 283 T HN 0.570 nan 8.240 nan 0.000 0.526 284 A N 0.972 123.710 122.820 -0.138 0.000 2.251 284 A HA 0.342 4.683 4.320 0.034 0.000 0.209 284 A C 0.973 178.517 177.584 -0.068 0.000 1.187 284 A CA -0.196 51.806 52.037 -0.058 0.000 0.823 284 A CB -0.241 18.735 19.000 -0.039 0.000 0.846 284 A HN 0.445 nan 8.150 nan 0.000 0.486 285 N N 0.271 118.880 118.700 -0.152 0.000 2.682 285 N HA 0.411 5.172 4.740 0.034 0.000 0.252 285 N C -1.227 174.203 175.510 -0.133 0.000 1.081 285 N CA -0.482 52.496 53.050 -0.119 0.000 0.844 285 N CB 0.334 38.748 38.487 -0.122 0.000 1.167 285 N HN 0.065 nan 8.380 nan 0.000 0.523 286 L N 1.830 123.025 121.223 -0.047 0.000 2.706 286 L HA 0.038 4.399 4.340 0.034 0.000 0.282 286 L C 0.801 177.691 176.870 0.033 0.000 1.219 286 L CA 0.467 55.307 54.840 0.001 0.000 0.935 286 L CB -0.260 41.767 42.059 -0.054 0.000 1.204 286 L HN 0.538 nan 8.230 nan 0.000 0.491 287 A N 3.574 126.499 122.820 0.175 0.000 2.462 287 A HA 0.235 4.575 4.320 0.034 0.000 0.243 287 A C 0.766 178.341 177.584 -0.015 0.000 1.076 287 A CA -0.141 51.973 52.037 0.128 0.000 0.773 287 A CB 0.093 19.229 19.000 0.228 0.000 1.010 287 A HN 0.739 nan 8.150 nan 0.000 0.493 288 S N 1.387 117.059 115.700 -0.047 0.000 3.746 288 S HA -0.085 4.406 4.470 0.034 0.000 0.446 288 S C 1.330 175.758 174.600 -0.288 0.000 1.133 288 S CA 0.733 58.858 58.200 -0.125 0.000 1.060 288 S CB -0.213 62.932 63.200 -0.092 0.000 0.729 288 S HN 1.018 nan 8.310 nan 0.000 0.510 289 S N 3.901 119.421 115.700 -0.301 0.000 2.701 289 S HA 0.121 4.612 4.470 0.034 0.000 0.220 289 S C 0.365 174.569 174.600 -0.660 0.000 0.954 289 S CA -0.254 57.638 58.200 -0.513 0.000 0.936 289 S CB -0.553 62.494 63.200 -0.255 0.000 0.777 289 S HN 0.814 nan 8.310 nan 0.000 0.518 290 N N 1.862 120.307 118.700 -0.425 0.000 2.767 290 N HA 0.207 4.967 4.740 0.034 0.000 0.238 290 N C -1.411 174.044 175.510 -0.092 0.000 1.083 290 N CA -0.297 52.634 53.050 -0.199 0.000 0.964 290 N CB 0.456 38.906 38.487 -0.062 0.000 1.252 290 N HN 0.336 nan 8.380 nan 0.000 0.512 291 Y N 1.567 121.938 120.300 0.118 0.000 2.320 291 Y HA 0.420 4.988 4.550 0.029 0.000 0.324 291 Y C 0.130 176.180 175.900 0.250 0.000 1.190 291 Y CA -1.113 57.073 58.100 0.143 0.000 1.215 291 Y CB 0.562 39.060 38.460 0.063 0.000 1.221 291 Y HN 0.307 nan 8.280 nan 0.000 0.486 292 F N 2.355 122.465 119.950 0.267 0.000 2.588 292 F HA 0.887 5.435 4.527 0.035 0.000 0.310 292 F C -3.471 172.433 175.800 0.174 0.000 1.082 292 F CA -3.061 55.064 58.000 0.208 0.000 0.929 292 F CB 2.145 41.242 39.000 0.163 0.000 1.254 292 F HN 0.157 nan 8.300 nan 0.000 0.455 293 P HA 0.374 nan 4.420 nan 0.000 0.292 293 P C -1.228 176.109 177.300 0.060 0.000 1.308 293 P CA -0.435 62.611 63.100 -0.089 0.000 0.933 293 P CB 2.238 33.912 31.700 -0.044 0.000 1.217 294 T N -1.258 113.187 114.554 -0.182 0.000 2.922 294 T HA 0.609 4.980 4.350 0.034 0.000 0.285 294 T C -2.291 172.271 174.700 -0.231 0.000 1.005 294 T CA -1.988 60.081 62.100 -0.051 0.000 1.061 294 T CB 1.067 69.905 68.868 -0.051 0.000 1.007 294 T HN 0.298 nan 8.240 nan 0.000 0.502 295 P HA 0.578 nan 4.420 nan 0.000 0.307 295 P C -1.083 175.989 177.300 -0.379 0.000 1.307 295 P CA -0.853 62.038 63.100 -0.348 0.000 0.814 295 P CB 1.814 33.322 31.700 -0.319 0.000 1.311 296 S N -1.322 114.101 115.700 -0.461 0.000 2.592 296 S HA 0.568 5.058 4.470 0.034 0.000 0.275 296 S C -0.654 173.867 174.600 -0.131 0.000 1.169 296 S CA -0.633 57.324 58.200 -0.406 0.000 0.958 296 S CB 0.139 62.806 63.200 -0.888 0.000 1.095 296 S HN 0.614 nan 8.310 nan 0.000 0.471 297 G N 2.785 111.576 108.800 -0.015 0.000 2.350 297 G HA2 0.464 4.444 3.960 0.034 0.000 0.306 297 G HA3 0.464 4.444 3.960 0.034 0.000 0.306 297 G C 0.311 175.274 174.900 0.105 0.000 1.094 297 G CA -0.207 44.931 45.100 0.064 0.000 0.953 297 G HN 0.808 nan 8.290 nan 0.000 0.420 298 S N 3.000 118.813 115.700 0.189 0.000 2.634 298 S HA 0.220 4.710 4.470 0.034 0.000 0.254 298 S C 1.161 175.816 174.600 0.092 0.000 1.299 298 S CA -0.626 57.688 58.200 0.190 0.000 0.974 298 S CB 0.225 63.525 63.200 0.167 0.000 1.001 298 S HN 0.597 nan 8.310 nan 0.000 0.584 299 M N 2.575 122.213 119.600 0.064 0.000 2.274 299 M HA 0.011 4.511 4.480 0.034 0.000 0.377 299 M C -0.458 175.863 176.300 0.036 0.000 1.428 299 M CA -0.018 55.306 55.300 0.039 0.000 0.907 299 M CB -0.058 32.556 32.600 0.023 0.000 1.974 299 M HN 0.541 nan 8.290 nan 0.000 0.479 300 V N 3.070 123.005 119.914 0.034 0.000 2.498 300 V HA 0.580 4.721 4.120 0.034 0.000 0.279 300 V C -0.052 176.058 176.094 0.026 0.000 1.048 300 V CA -0.519 61.801 62.300 0.034 0.000 0.967 300 V CB 1.243 33.087 31.823 0.036 0.000 0.988 300 V HN 0.873 nan 8.190 nan 0.000 0.473 301 T N 2.681 117.250 114.554 0.025 0.000 2.841 301 T HA 0.351 4.722 4.350 0.034 0.000 0.285 301 T C 1.045 175.756 174.700 0.019 0.000 0.991 301 T CA 0.422 62.532 62.100 0.017 0.000 0.966 301 T CB 1.722 70.597 68.868 0.011 0.000 0.962 301 T HN 1.043 nan 8.240 nan 0.000 0.438 302 S N 3.531 119.240 115.700 0.015 0.000 2.407 302 S HA -0.228 4.262 4.470 0.034 0.000 0.244 302 S C 1.146 175.752 174.600 0.009 0.000 1.077 302 S CA 2.689 60.896 58.200 0.013 0.000 1.159 302 S CB -0.738 62.466 63.200 0.007 0.000 1.045 302 S HN 0.913 nan 8.310 nan 0.000 0.438 303 D N 0.536 120.938 120.400 0.004 0.000 2.408 303 D HA 0.196 4.856 4.640 0.034 0.000 0.248 303 D C 0.906 177.204 176.300 -0.004 0.000 1.122 303 D CA 0.779 54.778 54.000 -0.002 0.000 0.964 303 D CB -0.155 40.643 40.800 -0.005 0.000 0.884 303 D HN 0.422 nan 8.370 nan 0.000 0.524 304 A N -0.368 122.454 122.820 0.003 0.000 2.551 304 A HA 0.046 4.386 4.320 0.034 0.000 0.252 304 A C 0.635 178.215 177.584 -0.008 0.000 1.199 304 A CA -0.354 51.682 52.037 -0.002 0.000 0.972 304 A CB 0.349 19.352 19.000 0.005 0.000 1.153 304 A HN -0.090 nan 8.150 nan 0.000 0.559 305 Q N 1.246 121.052 119.800 0.010 0.000 3.186 305 Q HA -0.101 4.259 4.340 0.034 0.000 0.346 305 Q C 0.997 176.957 176.000 -0.067 0.000 1.137 305 Q CA 0.110 55.926 55.803 0.021 0.000 1.199 305 Q CB -0.362 28.400 28.738 0.040 0.000 0.986 305 Q HN 0.527 nan 8.270 nan 0.000 0.426 306 I N 1.469 121.921 120.570 -0.198 0.000 2.756 306 I HA -0.132 4.058 4.170 0.034 0.000 0.262 306 I C 0.767 176.540 176.117 -0.572 0.000 1.225 306 I CA 0.838 61.837 61.300 -0.501 0.000 1.472 306 I CB -0.856 36.660 38.000 -0.807 0.000 1.094 306 I HN 0.240 nan 8.210 nan 0.000 0.454 307 F N -0.109 119.891 119.950 0.083 0.000 2.594 307 F HA 0.408 4.956 4.527 0.034 0.000 0.335 307 F C 1.415 177.187 175.800 -0.047 0.000 1.058 307 F CA -0.873 57.159 58.000 0.053 0.000 0.981 307 F CB 0.437 39.441 39.000 0.006 0.000 1.289 307 F HN -0.217 nan 8.300 nan 0.000 0.490 308 N N -0.400 118.327 118.700 0.046 0.000 2.936 308 N HA -0.247 4.513 4.740 0.034 0.000 0.236 308 N C -0.511 174.911 175.510 -0.146 0.000 0.930 308 N CA 1.090 54.102 53.050 -0.064 0.000 0.966 308 N CB -0.622 37.858 38.487 -0.012 0.000 1.090 308 N HN 0.549 nan 8.380 nan 0.000 0.592 309 K N 0.588 120.879 120.400 -0.182 0.000 2.182 309 K HA 0.429 4.770 4.320 0.034 0.000 0.262 309 K C -2.737 173.509 176.600 -0.590 0.000 0.957 309 K CA -2.054 54.091 56.287 -0.237 0.000 0.842 309 K CB 1.576 34.034 32.500 -0.071 0.000 1.099 309 K HN -0.143 nan 8.250 nan 0.000 0.438 310 P HA 0.130 nan 4.420 nan 0.000 0.286 310 P C -1.407 175.319 177.300 -0.956 0.000 1.269 310 P CA -0.087 62.394 63.100 -1.030 0.000 0.787 310 P CB 0.292 31.368 31.700 -1.040 0.000 0.920 311 Y N 1.121 120.950 120.300 -0.785 0.000 2.326 311 Y HA 0.351 4.921 4.550 0.034 0.000 0.337 311 Y C 0.219 175.645 175.900 -0.791 0.000 1.023 311 Y CA -0.909 56.742 58.100 -0.747 0.000 1.143 311 Y CB 1.041 38.978 38.460 -0.872 0.000 1.183 311 Y HN 0.327 nan 8.280 nan 0.000 0.485 312 W N 4.708 125.854 121.300 -0.256 0.000 2.391 312 W HA 0.493 5.174 4.660 0.034 0.000 0.311 312 W C -0.260 176.078 176.519 -0.303 0.000 1.087 312 W CA -0.763 56.434 57.345 -0.247 0.000 1.209 312 W CB 1.164 30.548 29.460 -0.127 0.000 1.273 312 W HN 0.474 nan 8.180 nan 0.000 0.482 313 L N 4.242 125.418 121.223 -0.078 0.000 2.928 313 L HA 0.060 4.421 4.340 0.034 0.000 0.246 313 L C 2.142 178.930 176.870 -0.136 0.000 1.239 313 L CA -0.064 54.643 54.840 -0.220 0.000 1.035 313 L CB -0.450 41.387 42.059 -0.370 0.000 1.360 313 L HN 0.627 nan 8.230 nan 0.000 0.529 314 Q N 0.500 120.270 119.800 -0.050 0.000 2.152 314 Q HA -0.164 4.197 4.340 0.034 0.000 0.206 314 Q C 1.081 177.050 176.000 -0.050 0.000 0.985 314 Q CA 1.257 57.036 55.803 -0.041 0.000 0.863 314 Q CB 0.042 28.761 28.738 -0.033 0.000 0.904 314 Q HN 0.478 nan 8.270 nan 0.000 0.422 315 R N -0.482 119.993 120.500 -0.041 0.000 2.960 315 R HA 0.802 5.162 4.340 0.034 0.000 0.249 315 R C -1.610 174.677 176.300 -0.022 0.000 1.192 315 R CA -0.058 56.024 56.100 -0.030 0.000 1.035 315 R CB 2.274 32.568 30.300 -0.011 0.000 1.234 315 R HN 0.272 nan 8.270 nan 0.000 0.493 316 A N 0.402 123.225 122.820 0.005 0.000 2.583 316 A HA 0.167 4.507 4.320 0.034 0.000 0.298 316 A C -0.846 176.774 177.584 0.059 0.000 1.055 316 A CA -0.796 51.278 52.037 0.060 0.000 0.714 316 A CB 1.410 20.456 19.000 0.077 0.000 1.277 316 A HN 0.698 nan 8.150 nan 0.000 0.406 317 Q N 0.883 120.726 119.800 0.072 0.000 2.436 317 Q HA 0.251 4.612 4.340 0.034 0.000 0.209 317 Q C 0.908 176.910 176.000 0.004 0.000 0.965 317 Q CA 1.095 56.914 55.803 0.027 0.000 0.910 317 Q CB -0.451 28.311 28.738 0.040 0.000 0.980 317 Q HN 1.147 nan 8.270 nan 0.000 0.491 318 G N -0.663 108.186 108.800 0.083 0.000 2.444 318 G HA2 0.217 4.198 3.960 0.034 0.000 0.268 318 G HA3 0.217 4.198 3.960 0.034 0.000 0.268 318 G C -0.565 174.392 174.900 0.095 0.000 1.203 318 G CA -0.487 44.690 45.100 0.129 0.000 0.835 318 G HN 0.267 nan 8.290 nan 0.000 0.543 319 H N 0.377 119.565 119.070 0.198 0.000 2.319 319 H HA -0.118 4.458 4.556 0.034 0.000 0.297 319 H C 1.739 177.219 175.328 0.253 0.000 1.097 319 H CA 1.798 57.977 56.048 0.218 0.000 1.285 319 H CB 0.235 30.142 29.762 0.243 0.000 1.368 319 H HN 0.489 nan 8.280 nan 0.000 0.495 320 N N 0.470 119.434 118.700 0.442 0.000 2.467 320 N HA -0.061 4.700 4.740 0.034 0.000 0.262 320 N C -0.062 175.592 175.510 0.240 0.000 1.234 320 N CA 0.215 53.488 53.050 0.372 0.000 0.952 320 N CB 0.879 39.646 38.487 0.465 0.000 1.158 320 N HN 0.214 nan 8.380 nan 0.000 0.463 321 N N -0.272 118.471 118.700 0.070 0.000 2.217 321 N HA 0.257 5.018 4.740 0.034 0.000 0.239 321 N C -0.425 174.909 175.510 -0.293 0.000 1.330 321 N CA 0.392 53.385 53.050 -0.096 0.000 0.838 321 N CB 0.259 38.707 38.487 -0.065 0.000 1.287 321 N HN 0.728 nan 8.380 nan 0.000 0.498 322 G N 0.518 109.131 108.800 -0.312 0.000 2.165 322 G HA2 -0.064 3.916 3.960 0.034 0.000 0.144 322 G HA3 -0.064 3.916 3.960 0.034 0.000 0.144 322 G C -0.670 174.154 174.900 -0.126 0.000 1.049 322 G CA -0.493 44.383 45.100 -0.373 0.000 0.741 322 G HN 0.109 nan 8.290 nan 0.000 0.493 323 I N 1.671 122.112 120.570 -0.215 0.000 2.294 323 I HA 0.205 4.395 4.170 0.034 0.000 0.295 323 I C 1.069 176.904 176.117 -0.470 0.000 1.098 323 I CA -0.946 60.032 61.300 -0.537 0.000 1.277 323 I CB 0.028 37.314 38.000 -1.190 0.000 1.434 323 I HN 0.152 nan 8.210 nan 0.000 0.498 324 C N 5.928 125.155 119.300 -0.122 0.000 3.684 324 C HA 0.024 4.505 4.460 0.034 0.000 0.584 324 C C 0.831 175.852 174.990 0.052 0.000 1.130 324 C CA -1.037 58.001 59.018 0.033 0.000 1.194 324 C CB -2.500 25.324 27.740 0.140 0.000 1.457 324 C HN 0.625 nan 8.230 nan 0.000 0.647 325 W N 0.623 121.968 121.300 0.076 0.000 2.513 325 W HA 0.265 4.946 4.660 0.034 0.000 0.339 325 W C 1.388 177.850 176.519 -0.096 0.000 1.257 325 W CA 1.005 58.331 57.345 -0.033 0.000 1.280 325 W CB 0.020 29.449 29.460 -0.052 0.000 1.214 325 W HN 0.874 nan 8.180 nan 0.000 0.567 326 G N 2.452 111.331 108.800 0.132 0.000 2.176 326 G HA2 -0.417 3.564 3.960 0.034 0.000 0.253 326 G HA3 -0.417 3.564 3.960 0.034 0.000 0.253 326 G C 0.434 175.349 174.900 0.025 0.000 0.979 326 G CA 0.061 45.173 45.100 0.020 0.000 0.641 326 G HN 0.824 nan 8.290 nan 0.000 0.530 327 N N -0.829 117.903 118.700 0.053 0.000 2.776 327 N HA -0.167 4.594 4.740 0.034 0.000 0.250 327 N C 0.196 175.646 175.510 -0.100 0.000 1.112 327 N CA 1.870 54.916 53.050 -0.006 0.000 0.733 327 N CB -1.237 37.247 38.487 -0.005 0.000 1.097 327 N HN 0.859 nan 8.380 nan 0.000 0.558 328 Q N 0.065 119.798 119.800 -0.112 0.000 2.235 328 Q HA 0.727 5.088 4.340 0.034 0.000 0.256 328 Q C -0.321 175.515 176.000 -0.274 0.000 0.951 328 Q CA -0.358 55.285 55.803 -0.267 0.000 0.890 328 Q CB 2.069 30.593 28.738 -0.358 0.000 1.279 328 Q HN 0.270 nan 8.270 nan 0.000 0.444 329 L N 2.832 123.843 121.223 -0.354 0.000 2.470 329 L HA 0.457 4.818 4.340 0.034 0.000 0.268 329 L C -1.633 175.177 176.870 -0.101 0.000 0.964 329 L CA -0.434 54.333 54.840 -0.123 0.000 0.839 329 L CB 1.376 43.452 42.059 0.029 0.000 1.276 329 L HN 0.727 nan 8.230 nan 0.000 0.403 330 F N 4.830 124.768 119.950 -0.020 0.000 2.310 330 F HA 0.289 4.836 4.527 0.035 0.000 0.365 330 F C 0.180 176.009 175.800 0.048 0.000 1.080 330 F CA -1.036 56.925 58.000 -0.065 0.000 1.187 330 F CB 1.503 40.386 39.000 -0.195 0.000 1.465 330 F HN 0.108 nan 8.300 nan 0.000 0.496 331 V N 2.383 122.503 119.914 0.344 0.000 2.439 331 V HA 0.101 4.242 4.120 0.034 0.000 0.271 331 V C 0.228 176.524 176.094 0.337 0.000 1.040 331 V CA -0.244 62.238 62.300 0.304 0.000 1.002 331 V CB 0.583 32.531 31.823 0.209 0.000 1.000 331 V HN 0.597 nan 8.190 nan 0.000 0.477 332 T N 4.025 118.740 114.554 0.269 0.000 2.770 332 T HA 0.629 4.999 4.350 0.034 0.000 0.297 332 T C -0.298 174.600 174.700 0.329 0.000 0.997 332 T CA -0.530 61.736 62.100 0.276 0.000 0.949 332 T CB 1.336 70.326 68.868 0.203 0.000 0.941 332 T HN 0.300 nan 8.240 nan 0.000 0.457 333 V N 3.443 123.580 119.914 0.371 0.000 2.715 333 V HA 0.646 4.786 4.120 0.034 0.000 0.310 333 V C -0.425 175.803 176.094 0.223 0.000 1.054 333 V CA -0.774 61.731 62.300 0.342 0.000 0.928 333 V CB 2.233 34.285 31.823 0.382 0.000 1.007 333 V HN 0.754 nan 8.190 nan 0.000 0.437 334 V N 2.910 122.904 119.914 0.134 0.000 2.447 334 V HA 0.453 4.594 4.120 0.034 0.000 0.292 334 V C -1.207 174.895 176.094 0.014 0.000 1.021 334 V CA -0.428 61.866 62.300 -0.010 0.000 0.850 334 V CB 1.717 33.441 31.823 -0.166 0.000 1.005 334 V HN 0.972 nan 8.190 nan 0.000 0.426 335 D N 2.436 122.809 120.400 -0.046 0.000 2.421 335 D HA 0.392 5.053 4.640 0.034 0.000 0.254 335 D C 1.039 177.339 176.300 -0.001 0.000 1.238 335 D CA 0.245 54.201 54.000 -0.073 0.000 0.919 335 D CB 2.048 42.653 40.800 -0.326 0.000 1.152 335 D HN 0.607 nan 8.370 nan 0.000 0.552 336 T N -0.497 114.083 114.554 0.044 0.000 2.894 336 T HA -0.143 4.228 4.350 0.034 0.000 0.258 336 T C 1.995 176.727 174.700 0.054 0.000 1.043 336 T CA 1.500 63.634 62.100 0.058 0.000 1.141 336 T CB -0.636 68.274 68.868 0.069 0.000 0.873 336 T HN 0.374 nan 8.240 nan 0.000 0.449 337 T N 1.381 115.969 114.554 0.058 0.000 2.858 337 T HA -0.230 4.140 4.350 0.034 0.000 0.263 337 T C 0.993 175.714 174.700 0.035 0.000 1.072 337 T CA 1.191 63.320 62.100 0.050 0.000 1.141 337 T CB -0.813 68.093 68.868 0.063 0.000 0.821 337 T HN 0.675 nan 8.240 nan 0.000 0.517 338 R N 1.192 121.710 120.500 0.030 0.000 2.564 338 R HA 0.484 4.845 4.340 0.034 0.000 0.282 338 R C 0.462 176.840 176.300 0.129 0.000 1.573 338 R CA 0.109 56.235 56.100 0.045 0.000 1.588 338 R CB 0.934 31.236 30.300 0.003 0.000 1.154 338 R HN 0.401 nan 8.270 nan 0.000 0.606 339 S N -1.286 114.467 115.700 0.090 0.000 2.603 339 S HA 0.039 4.530 4.470 0.034 0.000 0.232 339 S C 0.599 175.057 174.600 -0.237 0.000 1.016 339 S CA -0.426 57.778 58.200 0.006 0.000 0.976 339 S CB 0.596 63.792 63.200 -0.006 0.000 0.921 339 S HN 0.222 nan 8.310 nan 0.000 0.516 340 T N 4.902 119.403 114.554 -0.087 0.000 2.761 340 T HA 0.202 4.573 4.350 0.034 0.000 0.287 340 T C -0.317 174.268 174.700 -0.192 0.000 0.931 340 T CA 0.010 62.044 62.100 -0.110 0.000 1.164 340 T CB -0.378 68.478 68.868 -0.021 0.000 0.876 340 T HN 0.595 nan 8.240 nan 0.000 0.534 341 N N 3.771 122.307 118.700 -0.273 0.000 2.421 341 N HA 0.498 5.258 4.740 0.034 0.000 0.285 341 N C -0.057 175.400 175.510 -0.089 0.000 1.027 341 N CA -0.840 52.063 53.050 -0.245 0.000 0.918 341 N CB 0.865 39.159 38.487 -0.322 0.000 1.152 341 N HN 0.543 nan 8.380 nan 0.000 0.485 342 M N -0.634 118.953 119.600 -0.021 0.000 2.363 342 M HA 0.562 5.062 4.480 0.034 0.000 0.343 342 M C -0.760 175.552 176.300 0.021 0.000 1.165 342 M CA -0.774 54.532 55.300 0.009 0.000 1.046 342 M CB 1.450 34.068 32.600 0.030 0.000 1.648 342 M HN 0.475 nan 8.290 nan 0.000 0.452 343 S N 4.363 120.085 115.700 0.036 0.000 2.525 343 S HA 0.874 5.364 4.470 0.034 0.000 0.290 343 S C -0.458 174.195 174.600 0.089 0.000 1.152 343 S CA -0.985 57.255 58.200 0.065 0.000 1.072 343 S CB 1.379 64.614 63.200 0.059 0.000 1.027 343 S HN 0.819 nan 8.310 nan 0.000 0.500 344 L N -0.368 120.940 121.223 0.142 0.000 2.455 344 L HA 0.915 5.275 4.340 0.034 0.000 0.264 344 L C -0.891 176.132 176.870 0.256 0.000 0.968 344 L CA -1.067 53.868 54.840 0.157 0.000 0.827 344 L CB 1.476 43.605 42.059 0.115 0.000 1.317 344 L HN 0.965 nan 8.230 nan 0.000 0.407 345 C N 1.052 120.485 119.300 0.223 0.000 2.535 345 C HA 0.978 5.459 4.460 0.034 0.000 0.319 345 C C 0.178 175.335 174.990 0.279 0.000 1.171 345 C CA -0.194 58.991 59.018 0.279 0.000 1.394 345 C CB 0.684 28.559 27.740 0.224 0.000 1.990 345 C HN 1.233 nan 8.230 nan 0.000 0.466 346 A N 3.329 126.318 122.820 0.281 0.000 2.318 346 A HA 0.883 5.223 4.320 0.034 0.000 0.324 346 A C 0.482 178.129 177.584 0.104 0.000 1.170 346 A CA 0.229 52.373 52.037 0.178 0.000 0.810 346 A CB 0.759 19.839 19.000 0.133 0.000 1.198 346 A HN 2.309 nan 8.150 nan 0.000 0.484 347 A N 1.290 124.081 122.820 -0.049 0.000 2.409 347 A HA 0.396 4.737 4.320 0.034 0.000 0.246 347 A C 0.935 178.374 177.584 -0.241 0.000 1.099 347 A CA 0.225 51.998 52.037 -0.440 0.000 0.789 347 A CB -0.025 18.541 19.000 -0.725 0.000 1.053 347 A HN 1.405 nan 8.150 nan 0.000 0.503 348 I N -0.435 119.951 120.570 -0.306 0.000 3.462 348 I HA 0.130 4.320 4.170 0.034 0.000 0.290 348 I C 0.521 176.546 176.117 -0.154 0.000 1.236 348 I CA 1.322 62.523 61.300 -0.166 0.000 1.418 348 I CB 0.007 37.919 38.000 -0.147 0.000 1.102 348 I HN 0.718 nan 8.210 nan 0.000 0.441 349 S N -1.819 113.751 115.700 -0.215 0.000 2.590 349 S HA 0.145 4.636 4.470 0.034 0.000 0.286 349 S C 0.531 175.037 174.600 -0.158 0.000 1.147 349 S CA -0.119 57.993 58.200 -0.147 0.000 0.963 349 S CB -0.077 63.058 63.200 -0.108 0.000 1.124 349 S HN 0.238 nan 8.310 nan 0.000 0.458 350 T N 0.556 115.049 114.554 -0.103 0.000 3.139 350 T HA -0.031 4.340 4.350 0.034 0.000 0.267 350 T C 1.586 176.258 174.700 -0.047 0.000 1.164 350 T CA 1.296 63.354 62.100 -0.070 0.000 1.075 350 T CB -0.587 68.261 68.868 -0.033 0.000 0.904 350 T HN 0.534 nan 8.240 nan 0.000 0.540 351 S N 1.536 117.205 115.700 -0.052 0.000 2.557 351 S HA -0.095 4.395 4.470 0.034 0.000 0.225 351 S C 0.721 175.308 174.600 -0.021 0.000 1.092 351 S CA 0.940 59.120 58.200 -0.033 0.000 1.310 351 S CB -0.628 62.550 63.200 -0.037 0.000 1.147 351 S HN 0.674 nan 8.310 nan 0.000 0.402 352 E N 1.089 121.273 120.200 -0.027 0.000 3.048 352 E HA -0.104 4.266 4.350 0.034 0.000 0.280 352 E C 0.866 177.482 176.600 0.028 0.000 0.905 352 E CA 0.982 57.382 56.400 -0.001 0.000 0.977 352 E CB 0.150 29.844 29.700 -0.010 0.000 0.954 352 E HN 0.580 nan 8.360 nan 0.000 0.500 353 T N -1.425 113.151 114.554 0.038 0.000 3.092 353 T HA 0.156 4.527 4.350 0.034 0.000 0.258 353 T C 0.226 174.969 174.700 0.071 0.000 1.031 353 T CA -0.002 62.129 62.100 0.050 0.000 0.925 353 T CB -0.112 68.778 68.868 0.037 0.000 1.036 353 T HN 0.439 nan 8.240 nan 0.000 0.544 354 T N -0.638 113.966 114.554 0.083 0.000 2.916 354 T HA 0.530 4.901 4.350 0.034 0.000 0.298 354 T C -0.784 174.010 174.700 0.156 0.000 1.031 354 T CA -0.994 61.173 62.100 0.112 0.000 0.993 354 T CB 1.501 70.423 68.868 0.089 0.000 1.045 354 T HN 0.239 nan 8.240 nan 0.000 0.454 355 Y N 2.375 122.726 120.300 0.085 0.000 2.702 355 Y HA 0.336 4.907 4.550 0.034 0.000 0.336 355 Y C 0.159 176.124 175.900 0.109 0.000 1.235 355 Y CA 0.388 58.548 58.100 0.100 0.000 1.492 355 Y CB 0.445 38.902 38.460 -0.005 0.000 1.308 355 Y HN 0.598 nan 8.280 nan 0.000 0.589 356 K N 5.697 125.978 120.400 -0.199 0.000 2.652 356 K HA 0.051 4.391 4.320 0.034 0.000 0.249 356 K C 0.022 176.543 176.600 -0.132 0.000 0.986 356 K CA -0.710 55.570 56.287 -0.012 0.000 0.867 356 K CB 1.481 33.981 32.500 -0.000 0.000 1.201 356 K HN 0.746 nan 8.250 nan 0.000 0.450 357 N N 0.894 119.675 118.700 0.135 0.000 2.122 357 N HA -0.199 4.561 4.740 0.034 0.000 0.199 357 N C 0.936 176.491 175.510 0.075 0.000 1.007 357 N CA 2.344 55.484 53.050 0.151 0.000 0.892 357 N CB 0.006 38.596 38.487 0.172 0.000 1.050 357 N HN 0.640 nan 8.380 nan 0.000 0.468 358 T N -2.878 111.703 114.554 0.044 0.000 3.287 358 T HA 0.211 4.582 4.350 0.034 0.000 0.253 358 T C 0.671 175.363 174.700 -0.014 0.000 0.975 358 T CA -0.347 61.766 62.100 0.022 0.000 0.912 358 T CB -0.180 68.694 68.868 0.011 0.000 1.071 358 T HN 0.139 nan 8.240 nan 0.000 0.578 359 N N 0.530 119.223 118.700 -0.012 0.000 2.184 359 N HA 0.235 4.996 4.740 0.034 0.000 0.206 359 N C -1.016 174.254 175.510 -0.399 0.000 1.151 359 N CA -0.656 52.285 53.050 -0.181 0.000 0.878 359 N CB 0.225 38.594 38.487 -0.197 0.000 1.014 359 N HN 0.362 nan 8.380 nan 0.000 0.512 360 F N 0.146 120.024 119.950 -0.120 0.000 2.569 360 F HA 0.466 5.014 4.527 0.034 0.000 0.312 360 F C 0.021 175.790 175.800 -0.052 0.000 1.109 360 F CA -0.926 57.032 58.000 -0.069 0.000 0.919 360 F CB 1.866 40.815 39.000 -0.084 0.000 1.211 360 F HN -0.362 nan 8.300 nan 0.000 0.446 361 K N 2.038 122.509 120.400 0.118 0.000 2.159 361 K HA 0.417 4.757 4.320 0.034 0.000 0.266 361 K C -0.794 175.743 176.600 -0.106 0.000 0.975 361 K CA -0.719 55.534 56.287 -0.057 0.000 0.865 361 K CB 1.200 33.646 32.500 -0.090 0.000 1.087 361 K HN 0.478 nan 8.250 nan 0.000 0.446 362 E N 2.932 122.977 120.200 -0.257 0.000 2.171 362 E HA 0.270 4.640 4.350 0.034 0.000 0.271 362 E C -1.125 175.292 176.600 -0.305 0.000 0.916 362 E CA -0.487 55.822 56.400 -0.150 0.000 0.774 362 E CB 1.349 31.022 29.700 -0.045 0.000 1.128 362 E HN 0.397 nan 8.360 nan 0.000 0.403 363 Y N 0.713 121.069 120.300 0.093 0.000 2.581 363 Y HA 0.520 5.091 4.550 0.034 0.000 0.345 363 Y C -0.140 175.791 175.900 0.052 0.000 1.036 363 Y CA -1.000 57.162 58.100 0.102 0.000 1.042 363 Y CB 1.710 40.232 38.460 0.103 0.000 1.289 363 Y HN 0.237 nan 8.280 nan 0.000 0.471 364 L N 3.357 124.688 121.223 0.181 0.000 2.404 364 L HA 0.636 4.996 4.340 0.034 0.000 0.272 364 L C -0.811 175.942 176.870 -0.195 0.000 0.980 364 L CA -0.775 54.041 54.840 -0.040 0.000 0.836 364 L CB 1.402 43.385 42.059 -0.127 0.000 1.238 364 L HN 0.518 nan 8.230 nan 0.000 0.408 365 R N 1.281 121.739 120.500 -0.070 0.000 2.750 365 R HA 0.516 4.877 4.340 0.034 0.000 0.281 365 R C -1.245 175.072 176.300 0.028 0.000 0.972 365 R CA -0.778 55.303 56.100 -0.032 0.000 0.912 365 R CB 2.290 32.602 30.300 0.020 0.000 1.187 365 R HN 0.616 nan 8.270 nan 0.000 0.464 366 H N -0.151 118.872 119.070 -0.078 0.000 2.689 366 H HA 0.523 5.100 4.556 0.035 0.000 0.346 366 H C -0.488 174.833 175.328 -0.011 0.000 1.037 366 H CA -0.726 55.292 56.048 -0.050 0.000 1.234 366 H CB 1.786 31.505 29.762 -0.073 0.000 1.572 366 H HN 0.772 nan 8.280 nan 0.000 0.524 367 G N 2.845 111.665 108.800 0.033 0.000 2.451 367 G HA2 0.362 4.342 3.960 0.034 0.000 0.303 367 G HA3 0.362 4.342 3.960 0.034 0.000 0.303 367 G C -0.892 173.854 174.900 -0.256 0.000 1.166 367 G CA -0.486 44.560 45.100 -0.091 0.000 0.884 367 G HN 0.667 nan 8.290 nan 0.000 0.514 368 E N 0.292 120.426 120.200 -0.110 0.000 2.334 368 E HA 0.099 4.469 4.350 0.034 0.000 0.280 368 E C -1.340 175.305 176.600 0.075 0.000 0.899 368 E CA -0.362 55.998 56.400 -0.067 0.000 0.813 368 E CB 2.499 32.196 29.700 -0.005 0.000 1.318 368 E HN 0.675 nan 8.360 nan 0.000 0.399 369 E N 4.141 124.329 120.200 -0.019 0.000 2.103 369 E HA 0.203 4.574 4.350 0.034 0.000 0.254 369 E C -0.899 175.694 176.600 -0.012 0.000 0.940 369 E CA -0.312 56.113 56.400 0.042 0.000 0.771 369 E CB 0.462 30.165 29.700 0.005 0.000 1.153 369 E HN 0.339 nan 8.360 nan 0.000 0.428 370 Y N 1.868 122.178 120.300 0.017 0.000 2.240 370 Y HA 0.218 4.789 4.550 0.034 0.000 0.341 370 Y C 0.444 176.288 175.900 -0.095 0.000 1.326 370 Y CA 0.286 58.347 58.100 -0.065 0.000 1.569 370 Y CB 0.793 39.197 38.460 -0.092 0.000 1.426 370 Y HN 0.476 nan 8.280 nan 0.000 0.587 371 D N 0.479 120.909 120.400 0.051 0.000 2.333 371 D HA 0.222 4.882 4.640 0.034 0.000 0.225 371 D C -1.835 174.383 176.300 -0.136 0.000 1.345 371 D CA -0.219 53.755 54.000 -0.044 0.000 0.971 371 D CB 0.290 41.067 40.800 -0.039 0.000 1.451 371 D HN 0.352 nan 8.370 nan 0.000 0.561 372 L N 2.908 124.028 121.223 -0.172 0.000 2.334 372 L HA 0.516 4.877 4.340 0.034 0.000 0.277 372 L C 0.077 176.807 176.870 -0.233 0.000 1.075 372 L CA -0.571 54.115 54.840 -0.257 0.000 0.804 372 L CB 1.435 43.392 42.059 -0.170 0.000 1.174 372 L HN 0.411 nan 8.230 nan 0.000 0.438 373 Q N 3.464 122.910 119.800 -0.590 0.000 2.372 373 Q HA 0.642 5.003 4.340 0.034 0.000 0.273 373 Q C -1.428 173.972 176.000 -0.999 0.000 1.078 373 Q CA -0.512 54.956 55.803 -0.558 0.000 0.806 373 Q CB 3.091 31.558 28.738 -0.452 0.000 1.332 373 Q HN 0.329 nan 8.270 nan 0.000 0.435 374 F N 0.673 120.224 119.950 -0.664 0.000 2.662 374 F HA 0.580 5.128 4.527 0.034 0.000 0.312 374 F C -0.568 174.715 175.800 -0.861 0.000 1.113 374 F CA -1.004 56.529 58.000 -0.779 0.000 0.951 374 F CB 1.440 39.932 39.000 -0.848 0.000 1.344 374 F HN 0.259 nan 8.300 nan 0.000 0.462 375 I N 2.528 122.652 120.570 -0.743 0.000 2.563 375 I HA 0.301 4.491 4.170 0.034 0.000 0.285 375 I C -1.444 174.303 176.117 -0.617 0.000 1.123 375 I CA -0.611 60.319 61.300 -0.617 0.000 1.059 375 I CB 1.247 38.800 38.000 -0.746 0.000 1.229 375 I HN 0.397 nan 8.210 nan 0.000 0.442 376 F N 3.802 123.688 119.950 -0.107 0.000 2.480 376 F HA 0.508 5.056 4.527 0.034 0.000 0.329 376 F C 0.608 176.691 175.800 0.471 0.000 1.091 376 F CA -0.643 57.437 58.000 0.133 0.000 0.972 376 F CB 1.799 40.855 39.000 0.094 0.000 1.150 376 F HN 0.353 nan 8.300 nan 0.000 0.467 377 Q N 2.934 123.148 119.800 0.690 0.000 2.333 377 Q HA 0.395 4.755 4.340 0.034 0.000 0.265 377 Q C -1.253 174.893 176.000 0.244 0.000 0.989 377 Q CA -1.241 54.875 55.803 0.521 0.000 0.842 377 Q CB 1.714 30.736 28.738 0.475 0.000 1.262 377 Q HN 0.681 nan 8.270 nan 0.000 0.451 378 L N 4.644 125.847 121.223 -0.033 0.000 2.500 378 L HA 0.181 4.541 4.340 0.034 0.000 0.272 378 L C -1.069 175.579 176.870 -0.370 0.000 1.149 378 L CA 0.475 55.052 54.840 -0.439 0.000 0.897 378 L CB 0.011 41.719 42.059 -0.585 0.000 1.178 378 L HN 0.769 nan 8.230 nan 0.000 0.473 379 C N 4.497 123.602 119.300 -0.326 0.000 2.451 379 C HA 0.820 5.301 4.460 0.034 0.000 0.391 379 C C -0.186 174.723 174.990 -0.135 0.000 1.286 379 C CA -0.905 58.007 59.018 -0.177 0.000 1.935 379 C CB 1.774 29.470 27.740 -0.075 0.000 2.188 379 C HN 0.900 nan 8.230 nan 0.000 0.523 380 K N 0.385 120.770 120.400 -0.025 0.000 2.546 380 K HA 0.769 5.109 4.320 0.034 0.000 0.264 380 K C -1.989 174.672 176.600 0.103 0.000 0.937 380 K CA -0.413 55.899 56.287 0.042 0.000 0.833 380 K CB 1.301 33.851 32.500 0.082 0.000 1.378 380 K HN 0.598 nan 8.250 nan 0.000 0.432 381 I N 2.232 122.877 120.570 0.124 0.000 2.468 381 I HA 0.163 4.354 4.170 0.034 0.000 0.285 381 I C -0.404 175.760 176.117 0.078 0.000 1.039 381 I CA -0.781 60.619 61.300 0.167 0.000 1.074 381 I CB 2.401 40.593 38.000 0.321 0.000 1.228 381 I HN 0.744 nan 8.210 nan 0.000 0.436 382 T N 4.361 118.966 114.554 0.085 0.000 2.794 382 T HA 0.467 4.838 4.350 0.034 0.000 0.296 382 T C -0.161 174.560 174.700 0.034 0.000 0.949 382 T CA -0.682 61.438 62.100 0.034 0.000 1.101 382 T CB 0.860 69.749 68.868 0.035 0.000 0.905 382 T HN 0.225 nan 8.240 nan 0.000 0.516 383 L N 4.621 125.837 121.223 -0.011 0.000 2.404 383 L HA 0.258 4.618 4.340 0.034 0.000 0.277 383 L C 1.521 178.400 176.870 0.016 0.000 1.184 383 L CA -0.082 54.759 54.840 0.002 0.000 1.013 383 L CB -0.688 41.347 42.059 -0.040 0.000 1.318 383 L HN 1.019 nan 8.230 nan 0.000 0.435 384 T N -0.537 114.039 114.554 0.037 0.000 2.994 384 T HA 0.583 4.954 4.350 0.034 0.000 0.322 384 T C 1.277 175.995 174.700 0.031 0.000 1.199 384 T CA 0.170 62.288 62.100 0.030 0.000 0.945 384 T CB 0.811 69.701 68.868 0.035 0.000 1.754 384 T HN 0.344 nan 8.240 nan 0.000 0.571 385 A N 0.658 123.493 122.820 0.025 0.000 1.843 385 A HA 0.145 4.486 4.320 0.034 0.000 0.213 385 A C 2.051 179.654 177.584 0.032 0.000 1.239 385 A CA 1.224 53.274 52.037 0.022 0.000 0.606 385 A CB -1.228 17.780 19.000 0.015 0.000 0.903 385 A HN 0.824 nan 8.150 nan 0.000 0.455 386 D N 0.014 120.432 120.400 0.029 0.000 2.182 386 D HA -0.105 4.556 4.640 0.034 0.000 0.201 386 D C 1.962 178.281 176.300 0.032 0.000 0.986 386 D CA 1.274 55.293 54.000 0.031 0.000 0.847 386 D CB -0.510 40.298 40.800 0.014 0.000 0.942 386 D HN 0.169 nan 8.370 nan 0.000 0.467 387 V N 0.798 120.734 119.914 0.037 0.000 2.223 387 V HA -0.277 3.864 4.120 0.034 0.000 0.244 387 V C 2.474 178.624 176.094 0.094 0.000 1.045 387 V CA 1.868 64.201 62.300 0.055 0.000 1.000 387 V CB -0.539 31.351 31.823 0.112 0.000 0.635 387 V HN 0.166 nan 8.190 nan 0.000 0.445 388 M N 0.555 120.211 119.600 0.094 0.000 2.106 388 M HA -0.231 4.270 4.480 0.034 0.000 0.259 388 M C 2.378 178.744 176.300 0.110 0.000 1.068 388 M CA 2.687 58.054 55.300 0.111 0.000 1.100 388 M CB -0.543 32.100 32.600 0.072 0.000 1.351 388 M HN 0.713 nan 8.290 nan 0.000 0.404 389 T N -1.275 113.325 114.554 0.077 0.000 2.544 389 T HA -0.323 4.048 4.350 0.034 0.000 0.264 389 T C 1.579 176.364 174.700 0.142 0.000 1.096 389 T CA 2.026 64.178 62.100 0.087 0.000 1.181 389 T CB -1.454 67.454 68.868 0.068 0.000 0.864 389 T HN 0.562 nan 8.240 nan 0.000 0.415 390 Y N 2.294 122.575 120.300 -0.032 0.000 2.002 390 Y HA -0.189 4.382 4.550 0.034 0.000 0.268 390 Y C 2.487 178.318 175.900 -0.115 0.000 1.177 390 Y CA 1.596 59.644 58.100 -0.087 0.000 1.111 390 Y CB -0.788 37.528 38.460 -0.240 0.000 0.952 390 Y HN 0.255 nan 8.280 nan 0.000 0.491 391 I N -0.696 119.891 120.570 0.027 0.000 2.358 391 I HA -0.441 3.749 4.170 0.034 0.000 0.257 391 I C 2.455 178.465 176.117 -0.179 0.000 1.123 391 I CA 1.974 63.210 61.300 -0.108 0.000 1.393 391 I CB -0.502 37.542 38.000 0.074 0.000 1.073 391 I HN 0.495 nan 8.210 nan 0.000 0.437 392 H N -0.169 118.809 119.070 -0.152 0.000 2.460 392 H HA 0.104 4.681 4.556 0.034 0.000 0.297 392 H C 2.147 177.367 175.328 -0.181 0.000 1.023 392 H CA 1.072 57.036 56.048 -0.140 0.000 1.321 392 H CB 0.449 30.176 29.762 -0.059 0.000 1.455 392 H HN 0.147 nan 8.280 nan 0.000 0.539 393 S N 0.816 116.483 115.700 -0.056 0.000 2.561 393 S HA 0.004 4.495 4.470 0.034 0.000 0.225 393 S C 1.952 176.382 174.600 -0.283 0.000 0.977 393 S CA 0.436 58.579 58.200 -0.095 0.000 0.926 393 S CB 0.229 63.432 63.200 0.005 0.000 0.769 393 S HN 0.443 nan 8.310 nan 0.000 0.533 394 M N 1.419 120.713 119.600 -0.511 0.000 2.299 394 M HA 0.177 4.677 4.480 0.034 0.000 0.238 394 M C 0.030 175.889 176.300 -0.734 0.000 1.174 394 M CA 1.174 55.885 55.300 -0.981 0.000 1.191 394 M CB 0.190 32.107 32.600 -1.138 0.000 1.207 394 M HN 0.079 nan 8.290 nan 0.000 0.462 395 N N 0.250 118.552 118.700 -0.663 0.000 2.491 395 N HA 0.188 4.949 4.740 0.034 0.000 0.274 395 N C 0.437 175.653 175.510 -0.489 0.000 1.023 395 N CA -0.210 52.512 53.050 -0.548 0.000 0.902 395 N CB 1.325 39.464 38.487 -0.579 0.000 1.267 395 N HN 0.364 nan 8.380 nan 0.000 0.503 396 S N 1.300 116.733 115.700 -0.445 0.000 2.351 396 S HA -0.252 4.238 4.470 0.034 0.000 0.220 396 S C 2.120 176.557 174.600 -0.272 0.000 1.035 396 S CA 2.064 60.007 58.200 -0.428 0.000 1.031 396 S CB -1.082 61.884 63.200 -0.390 0.000 0.928 396 S HN 0.771 nan 8.310 nan 0.000 0.433 397 T N 2.610 117.022 114.554 -0.237 0.000 2.668 397 T HA -0.266 4.104 4.350 0.034 0.000 0.265 397 T C 1.723 176.277 174.700 -0.244 0.000 1.041 397 T CA 1.750 63.737 62.100 -0.188 0.000 1.160 397 T CB -1.201 67.565 68.868 -0.170 0.000 0.857 397 T HN 0.283 nan 8.240 nan 0.000 0.455 398 I N 2.070 122.398 120.570 -0.402 0.000 2.091 398 I HA -0.207 3.984 4.170 0.034 0.000 0.240 398 I C 2.707 178.459 176.117 -0.609 0.000 1.046 398 I CA 1.649 62.534 61.300 -0.691 0.000 1.306 398 I CB -1.474 35.942 38.000 -0.973 0.000 1.018 398 I HN 0.350 nan 8.210 nan 0.000 0.404 399 L N 0.025 121.131 121.223 -0.195 0.000 1.994 399 L HA -0.197 4.163 4.340 0.034 0.000 0.208 399 L C 2.513 179.525 176.870 0.237 0.000 1.071 399 L CA 1.339 56.346 54.840 0.279 0.000 0.745 399 L CB -0.730 41.456 42.059 0.212 0.000 0.892 399 L HN 0.278 nan 8.230 nan 0.000 0.431 400 E N 0.479 120.727 120.200 0.080 0.000 2.002 400 E HA -0.270 4.101 4.350 0.034 0.000 0.205 400 E C 1.766 178.419 176.600 0.088 0.000 1.020 400 E CA 1.665 58.106 56.400 0.069 0.000 0.856 400 E CB -0.465 29.242 29.700 0.012 0.000 0.788 400 E HN 0.464 nan 8.360 nan 0.000 0.477 401 D N 0.022 120.435 120.400 0.021 0.000 2.286 401 D HA -0.205 4.455 4.640 0.034 0.000 0.195 401 D C 0.295 176.687 176.300 0.154 0.000 1.012 401 D CA 0.814 54.837 54.000 0.039 0.000 0.901 401 D CB -0.277 40.500 40.800 -0.038 0.000 0.903 401 D HN 0.211 nan 8.370 nan 0.000 0.451 402 W N 2.233 123.563 121.300 0.049 0.000 2.381 402 W HA 0.182 4.863 4.660 0.034 0.000 0.321 402 W C 0.924 177.480 176.519 0.062 0.000 1.407 402 W CA -0.270 57.115 57.345 0.068 0.000 1.274 402 W CB -0.416 29.090 29.460 0.077 0.000 1.310 402 W HN -0.090 nan 8.180 nan 0.000 0.551 439 D N 3.817 124.235 120.400 0.031 0.000 2.338 439 D HA 0.150 4.811 4.640 0.034 0.000 0.255 439 D C -1.375 174.975 176.300 0.083 0.000 1.237 439 D CA -1.897 52.138 54.000 0.058 0.000 0.883 439 D CB 1.168 42.012 40.800 0.072 0.000 1.087 439 D HN 0.104 nan 8.370 nan 0.000 0.485 440 P HA -0.095 nan 4.420 nan 0.000 0.231 440 P C 0.401 177.852 177.300 0.251 0.000 1.158 440 P CA 0.718 63.895 63.100 0.127 0.000 0.763 440 P CB 0.187 31.946 31.700 0.098 0.000 0.805 441 L N -1.174 120.215 121.223 0.278 0.000 3.141 441 L HA 0.351 4.711 4.340 0.034 0.000 0.263 441 L C 1.757 178.822 176.870 0.325 0.000 1.312 441 L CA -0.331 54.799 54.840 0.484 0.000 1.012 441 L CB 0.329 42.715 42.059 0.545 0.000 1.408 441 L HN -0.191 nan 8.230 nan 0.000 0.559 442 K N 1.531 122.019 120.400 0.146 0.000 2.099 442 K HA 0.002 4.342 4.320 0.034 0.000 0.203 442 K C 2.013 178.572 176.600 -0.069 0.000 1.047 442 K CA 0.917 57.228 56.287 0.040 0.000 0.963 442 K CB 0.325 32.828 32.500 0.005 0.000 0.759 442 K HN 0.082 nan 8.250 nan 0.000 0.451 443 K N 0.044 120.316 120.400 -0.213 0.000 2.515 443 K HA -0.074 4.266 4.320 0.034 0.000 0.196 443 K C -0.077 176.082 176.600 -0.736 0.000 1.038 443 K CA 0.699 56.706 56.287 -0.467 0.000 0.967 443 K CB -0.401 31.745 32.500 -0.589 0.000 0.780 443 K HN 0.189 nan 8.250 nan 0.000 0.483 444 Y N 0.722 120.931 120.300 -0.150 0.000 2.631 444 Y HA 0.365 4.936 4.550 0.034 0.000 0.328 444 Y C 0.297 175.851 175.900 -0.578 0.000 1.118 444 Y CA -1.077 56.776 58.100 -0.413 0.000 1.206 444 Y CB 1.692 39.855 38.460 -0.494 0.000 1.337 444 Y HN -0.256 nan 8.280 nan 0.000 0.515 445 T N 1.979 116.102 114.554 -0.718 0.000 2.890 445 T HA 0.607 4.978 4.350 0.034 0.000 0.295 445 T C -1.199 173.115 174.700 -0.643 0.000 0.993 445 T CA -0.724 61.059 62.100 -0.528 0.000 0.979 445 T CB 0.076 68.793 68.868 -0.252 0.000 0.967 445 T HN 0.345 nan 8.240 nan 0.000 0.441 446 F N 0.529 120.515 119.950 0.060 0.000 2.620 446 F HA 0.585 5.132 4.527 0.034 0.000 0.320 446 F C -0.448 175.429 175.800 0.129 0.000 1.069 446 F CA -1.568 56.466 58.000 0.057 0.000 0.953 446 F CB 1.360 40.409 39.000 0.080 0.000 1.322 446 F HN 0.478 nan 8.300 nan 0.000 0.479 447 W N 3.931 125.263 121.300 0.054 0.000 2.419 447 W HA 0.251 4.931 4.660 0.034 0.000 0.312 447 W C -0.683 175.888 176.519 0.086 0.000 1.323 447 W CA -0.640 56.656 57.345 -0.082 0.000 1.293 447 W CB 0.348 29.536 29.460 -0.454 0.000 1.324 447 W HN 0.514 nan 8.180 nan 0.000 0.512 448 E N 4.403 124.926 120.200 0.538 0.000 2.301 448 E HA 0.336 4.707 4.350 0.034 0.000 0.275 448 E C -0.862 176.045 176.600 0.510 0.000 1.030 448 E CA -0.558 56.129 56.400 0.478 0.000 0.852 448 E CB 2.318 32.252 29.700 0.390 0.000 1.060 448 E HN 0.202 nan 8.360 nan 0.000 0.401 449 V N 3.416 123.563 119.914 0.387 0.000 2.488 449 V HA 0.178 4.319 4.120 0.034 0.000 0.293 449 V C -0.142 176.098 176.094 0.243 0.000 1.027 449 V CA -1.027 61.435 62.300 0.269 0.000 0.862 449 V CB 1.636 33.538 31.823 0.132 0.000 1.008 449 V HN 0.545 nan 8.190 nan 0.000 0.428 450 N N 5.362 124.190 118.700 0.213 0.000 2.501 450 N HA 0.390 5.150 4.740 0.034 0.000 0.245 450 N C -0.096 175.461 175.510 0.078 0.000 0.974 450 N CA -0.380 52.772 53.050 0.169 0.000 0.941 450 N CB 1.738 40.291 38.487 0.109 0.000 1.122 450 N HN 0.717 nan 8.380 nan 0.000 0.507 451 L N 3.389 124.628 121.223 0.025 0.000 2.700 451 L HA 0.170 4.531 4.340 0.034 0.000 0.234 451 L C 1.881 178.778 176.870 0.046 0.000 1.156 451 L CA -0.113 54.748 54.840 0.036 0.000 0.946 451 L CB 0.185 42.246 42.059 0.004 0.000 1.216 451 L HN 0.444 nan 8.230 nan 0.000 0.493 452 K N 0.878 121.234 120.400 -0.073 0.000 2.015 452 K HA -0.222 4.119 4.320 0.034 0.000 0.216 452 K C 0.755 177.344 176.600 -0.019 0.000 1.052 452 K CA 1.620 57.814 56.287 -0.154 0.000 0.937 452 K CB -0.013 32.425 32.500 -0.104 0.000 0.719 452 K HN 0.108 nan 8.250 nan 0.000 0.446 453 E N 0.250 120.478 120.200 0.047 0.000 2.320 453 E HA 0.026 4.396 4.350 0.034 0.000 0.234 453 E C 0.112 176.797 176.600 0.142 0.000 1.290 453 E CA 0.166 56.625 56.400 0.097 0.000 1.545 453 E CB 0.443 30.189 29.700 0.076 0.000 1.379 453 E HN 0.104 nan 8.360 nan 0.000 0.437 454 K N -0.825 119.689 120.400 0.190 0.000 2.544 454 K HA 0.154 4.494 4.320 0.034 0.000 0.213 454 K C 0.008 176.741 176.600 0.221 0.000 1.392 454 K CA -0.177 56.219 56.287 0.180 0.000 0.980 454 K CB 0.268 32.836 32.500 0.114 0.000 1.177 454 K HN 0.067 nan 8.250 nan 0.000 0.570 455 F N 2.259 122.167 119.950 -0.069 0.000 2.595 455 F HA 0.104 4.651 4.527 0.034 0.000 0.359 455 F C 0.934 176.864 175.800 0.216 0.000 1.147 455 F CA 0.608 58.554 58.000 -0.091 0.000 1.341 455 F CB 0.598 39.278 39.000 -0.533 0.000 1.104 455 F HN -0.219 nan 8.300 nan 0.000 0.603 456 S N 1.358 117.379 115.700 0.536 0.000 2.562 456 S HA 0.621 5.111 4.470 0.034 0.000 0.274 456 S C 0.202 175.106 174.600 0.506 0.000 1.160 456 S CA -0.164 58.415 58.200 0.632 0.000 0.933 456 S CB 1.168 64.705 63.200 0.562 0.000 1.100 456 S HN 0.810 nan 8.310 nan 0.000 0.468 457 A N 2.770 125.729 122.820 0.231 0.000 1.854 457 A HA 0.085 4.426 4.320 0.034 0.000 0.214 457 A C 0.693 178.225 177.584 -0.086 0.000 1.192 457 A CA 1.422 53.210 52.037 -0.416 0.000 0.611 457 A CB -0.790 18.052 19.000 -0.264 0.000 0.832 457 A HN 0.932 nan 8.150 nan 0.000 0.442 458 D N 1.232 121.650 120.400 0.031 0.000 2.357 458 D HA 0.145 4.806 4.640 0.034 0.000 0.265 458 D C 0.539 176.852 176.300 0.021 0.000 1.334 458 D CA -0.025 53.983 54.000 0.014 0.000 0.984 458 D CB 0.162 40.950 40.800 -0.020 0.000 1.077 458 D HN 0.455 nan 8.370 nan 0.000 0.514 459 L N 0.651 121.933 121.223 0.098 0.000 2.554 459 L HA 0.007 4.367 4.340 0.034 0.000 0.226 459 L C 0.727 177.631 176.870 0.056 0.000 1.137 459 L CA 0.113 55.065 54.840 0.186 0.000 0.863 459 L CB -0.367 41.853 42.059 0.267 0.000 0.985 459 L HN 0.094 nan 8.230 nan 0.000 0.451 460 D N 0.148 120.538 120.400 -0.017 0.000 2.403 460 D HA -0.136 4.524 4.640 0.034 0.000 0.227 460 D C 1.409 177.628 176.300 -0.134 0.000 0.995 460 D CA 0.706 54.672 54.000 -0.056 0.000 0.928 460 D CB 0.002 40.773 40.800 -0.048 0.000 0.887 460 D HN 0.332 nan 8.370 nan 0.000 0.529 461 Q N -0.629 119.003 119.800 -0.281 0.000 2.112 461 Q HA 0.263 4.624 4.340 0.034 0.000 0.222 461 Q C -0.574 175.019 176.000 -0.678 0.000 0.798 461 Q CA -0.085 55.426 55.803 -0.486 0.000 1.060 461 Q CB 0.766 29.130 28.738 -0.623 0.000 1.184 461 Q HN 0.290 nan 8.270 nan 0.000 0.475 462 F N 0.705 120.577 119.950 -0.130 0.000 2.613 462 F HA 0.339 4.887 4.527 0.034 0.000 0.310 462 F C -1.619 174.154 175.800 -0.045 0.000 1.085 462 F CA -2.082 55.811 58.000 -0.179 0.000 0.945 462 F CB 2.204 40.857 39.000 -0.579 0.000 1.298 462 F HN -0.260 nan 8.300 nan 0.000 0.455 463 P HA -0.169 nan 4.420 nan 0.000 0.214 463 P C 1.815 179.196 177.300 0.136 0.000 1.162 463 P CA 1.426 64.598 63.100 0.121 0.000 0.879 463 P CB 0.757 32.502 31.700 0.075 0.000 0.786 464 L N -0.454 120.861 121.223 0.153 0.000 2.017 464 L HA -0.093 4.268 4.340 0.034 0.000 0.208 464 L C 2.567 179.577 176.870 0.234 0.000 1.073 464 L CA 2.239 57.135 54.840 0.093 0.000 0.745 464 L CB -1.449 40.581 42.059 -0.048 0.000 0.894 464 L HN 0.026 nan 8.230 nan 0.000 0.432 465 G N -0.211 108.801 108.800 0.354 0.000 2.679 465 G HA2 -0.366 3.615 3.960 0.034 0.000 0.217 465 G HA3 -0.366 3.615 3.960 0.034 0.000 0.217 465 G C 1.449 176.497 174.900 0.246 0.000 1.267 465 G CA 1.133 46.436 45.100 0.338 0.000 0.799 465 G HN 0.361 nan 8.290 nan 0.000 0.606 466 R N 0.317 120.915 120.500 0.164 0.000 2.279 466 R HA -0.266 4.095 4.340 0.034 0.000 0.264 466 R C 2.661 179.018 176.300 0.095 0.000 1.138 466 R CA 2.265 58.421 56.100 0.093 0.000 0.981 466 R CB -0.332 30.005 30.300 0.062 0.000 0.909 466 R HN 0.422 nan 8.270 nan 0.000 0.462 467 K N -0.748 119.750 120.400 0.162 0.000 2.007 467 K HA -0.120 4.220 4.320 0.034 0.000 0.206 467 K C 1.945 178.711 176.600 0.278 0.000 1.047 467 K CA 1.355 57.779 56.287 0.227 0.000 0.937 467 K CB -0.360 32.309 32.500 0.282 0.000 0.718 467 K HN 0.070 nan 8.250 nan 0.000 0.438 468 F N 2.249 122.322 119.950 0.205 0.000 2.126 468 F HA -0.218 4.330 4.527 0.034 0.000 0.299 468 F C 1.930 177.552 175.800 -0.298 0.000 1.096 468 F CA 1.020 58.910 58.000 -0.182 0.000 1.255 468 F CB -0.489 38.459 39.000 -0.087 0.000 0.997 468 F HN -0.111 nan 8.300 nan 0.000 0.479 469 L N 0.387 121.489 121.223 -0.200 0.000 1.997 469 L HA -0.250 4.110 4.340 0.034 0.000 0.216 469 L C 2.288 178.963 176.870 -0.325 0.000 1.074 469 L CA 1.819 56.467 54.840 -0.319 0.000 0.763 469 L CB -0.858 41.151 42.059 -0.082 0.000 0.890 469 L HN 0.298 nan 8.230 nan 0.000 0.434 470 L N -1.211 119.893 121.223 -0.199 0.000 2.622 470 L HA -0.108 4.252 4.340 0.034 0.000 0.233 470 L C 1.894 178.625 176.870 -0.231 0.000 1.156 470 L CA 0.293 55.031 54.840 -0.169 0.000 0.866 470 L CB -0.139 41.872 42.059 -0.079 0.000 0.980 470 L HN 0.508 nan 8.230 nan 0.000 0.448 471 Q N -0.397 119.159 119.800 -0.406 0.000 2.418 471 Q HA 0.175 4.535 4.340 0.034 0.000 0.176 471 Q C 0.756 176.426 176.000 -0.550 0.000 0.747 471 Q CA -0.160 55.353 55.803 -0.482 0.000 0.776 471 Q CB 0.170 28.491 28.738 -0.694 0.000 1.118 471 Q HN 0.175 nan 8.270 nan 0.000 0.570 472 L N 0.000 120.736 121.223 -0.812 0.000 2.949 472 L HA 0.000 4.361 4.340 0.034 0.000 0.249 472 L CA 0.000 54.457 54.840 -0.638 0.000 0.813 472 L CB 0.000 41.700 42.059 -0.598 0.000 0.961 472 L HN 0.000 nan 8.230 nan 0.000 0.502