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_O 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 0.000 177.640 177.584 0.093 0.000 1.274 20 A CA 0.000 52.059 52.037 0.037 0.000 0.836 20 A CB 0.000 19.029 19.000 0.049 0.000 0.831 21 V N 1.438 121.318 119.914 -0.057 0.000 2.837 21 V HA 0.826 4.946 4.120 -0.000 0.000 0.310 21 V C 0.247 176.341 176.094 0.000 0.000 1.059 21 V CA 0.044 62.302 62.300 -0.070 0.000 1.004 21 V CB 1.532 33.003 31.823 -0.586 0.000 1.045 21 V HN 1.861 nan 8.190 nan 0.000 0.465 22 V N -0.339 119.724 119.914 0.249 0.000 3.098 22 V HA 0.605 4.725 4.120 -0.000 0.000 0.294 22 V C -0.232 176.232 176.094 0.616 0.000 1.351 22 V CA -0.647 61.897 62.300 0.406 0.000 0.999 22 V CB 1.381 33.326 31.823 0.204 0.000 1.104 22 V HN 0.952 nan 8.190 nan 0.000 0.438 23 S N 1.968 117.977 115.700 0.516 0.000 2.599 23 S HA 0.024 4.494 4.470 -0.000 0.000 0.303 23 S C 1.654 176.365 174.600 0.185 0.000 1.267 23 S CA 0.860 59.239 58.200 0.298 0.000 1.055 23 S CB 0.763 64.021 63.200 0.097 0.000 0.790 23 S HN 2.238 nan 8.310 nan 0.000 0.500 24 T N 1.555 116.142 114.554 0.056 0.000 2.915 24 T HA -0.101 4.249 4.350 -0.000 0.000 0.269 24 T C 1.182 175.632 174.700 -0.416 0.000 1.071 24 T CA 1.413 63.222 62.100 -0.485 0.000 1.132 24 T CB -0.530 68.158 68.868 -0.299 0.000 0.878 24 T HN 0.686 nan 8.240 nan 0.000 0.479 25 D N 1.611 121.910 120.400 -0.168 0.000 2.254 25 D HA -0.127 4.513 4.640 -0.000 0.000 0.201 25 D C 2.053 178.298 176.300 -0.091 0.000 0.998 25 D CA 1.271 55.206 54.000 -0.109 0.000 0.885 25 D CB -0.120 40.653 40.800 -0.044 0.000 0.915 25 D HN 0.714 nan 8.370 nan 0.000 0.460 26 E N -0.514 119.650 120.200 -0.060 0.000 2.005 26 E HA -0.151 4.199 4.350 -0.000 0.000 0.191 26 E C 2.263 178.907 176.600 0.074 0.000 0.987 26 E CA 0.898 57.327 56.400 0.047 0.000 0.814 26 E CB -0.407 29.377 29.700 0.140 0.000 0.772 26 E HN 0.536 nan 8.360 nan 0.000 0.453 27 Y N 0.252 120.596 120.300 0.073 0.000 2.516 27 Y HA 0.198 4.748 4.550 -0.000 0.000 0.291 27 Y C 0.886 176.874 175.900 0.146 0.000 1.131 27 Y CA -0.278 57.882 58.100 0.099 0.000 1.281 27 Y CB -0.247 38.280 38.460 0.112 0.000 1.013 27 Y HN -0.277 nan 8.280 nan 0.000 0.554 28 V N 2.203 122.000 119.914 -0.195 0.000 2.498 28 V HA 0.548 4.668 4.120 -0.000 0.000 0.279 28 V C 0.293 176.364 176.094 -0.040 0.000 1.048 28 V CA -0.770 61.483 62.300 -0.077 0.000 0.967 28 V CB 0.772 32.469 31.823 -0.211 0.000 0.988 28 V HN 0.406 nan 8.190 nan 0.000 0.473 29 A N 5.854 128.671 122.820 -0.006 0.000 2.260 29 A HA 0.563 4.882 4.320 -0.000 0.000 0.314 29 A C 0.265 177.813 177.584 -0.061 0.000 1.257 29 A CA -0.679 51.345 52.037 -0.021 0.000 0.871 29 A CB 0.189 19.192 19.000 0.005 0.000 1.166 29 A HN 0.845 nan 8.150 nan 0.000 0.522 30 R N 2.386 122.849 120.500 -0.062 0.000 2.291 30 R HA 0.233 4.573 4.340 -0.000 0.000 0.333 30 R C 0.835 177.068 176.300 -0.110 0.000 1.082 30 R CA 0.205 56.254 56.100 -0.085 0.000 0.948 30 R CB 0.352 30.621 30.300 -0.052 0.000 1.009 30 R HN 0.847 nan 8.270 nan 0.000 0.460 31 T N -0.703 113.742 114.554 -0.182 0.000 2.732 31 T HA 0.020 4.370 4.350 -0.000 0.000 0.287 31 T C 0.677 175.210 174.700 -0.279 0.000 0.993 31 T CA -0.514 61.451 62.100 -0.226 0.000 0.966 31 T CB 0.750 69.402 68.868 -0.361 0.000 1.047 31 T HN 0.557 nan 8.240 nan 0.000 0.527 32 N N 0.898 119.447 118.700 -0.252 0.000 2.671 32 N HA 0.224 4.964 4.740 -0.000 0.000 0.303 32 N C -0.802 174.512 175.510 -0.327 0.000 1.351 32 N CA -0.321 52.570 53.050 -0.265 0.000 0.991 32 N CB 0.069 38.513 38.487 -0.071 0.000 1.307 32 N HN 0.476 nan 8.380 nan 0.000 0.512 33 I N 1.747 122.026 120.570 -0.484 0.000 2.339 33 I HA 0.275 4.445 4.170 -0.000 0.000 0.290 33 I C -0.512 175.421 176.117 -0.306 0.000 0.994 33 I CA -0.460 60.658 61.300 -0.302 0.000 1.191 33 I CB 0.402 38.246 38.000 -0.260 0.000 1.343 33 I HN 0.047 nan 8.210 nan 0.000 0.458 34 Y N 5.865 126.287 120.300 0.204 0.000 2.409 34 Y HA 0.550 5.100 4.550 -0.000 0.000 0.343 34 Y C -0.711 175.326 175.900 0.228 0.000 0.973 34 Y CA -0.720 57.563 58.100 0.306 0.000 1.064 34 Y CB 2.177 40.835 38.460 0.331 0.000 1.207 34 Y HN 0.365 nan 8.280 nan 0.000 0.452 35 Y N 1.193 121.833 120.300 0.567 0.000 2.524 35 Y HA 0.330 4.880 4.550 -0.000 0.000 0.347 35 Y C -0.645 175.358 175.900 0.171 0.000 1.005 35 Y CA -1.083 57.264 58.100 0.412 0.000 1.025 35 Y CB 1.823 40.573 38.460 0.483 0.000 1.275 35 Y HN 0.554 nan 8.280 nan 0.000 0.460 36 H N 2.005 121.201 119.070 0.211 0.000 2.489 36 H HA 0.876 5.432 4.556 -0.000 0.000 0.343 36 H C -1.740 173.434 175.328 -0.256 0.000 1.086 36 H CA -0.571 55.491 56.048 0.023 0.000 1.198 36 H CB 1.496 31.433 29.762 0.291 0.000 1.490 36 H HN 0.852 nan 8.280 nan 0.000 0.504 37 A N 2.832 125.147 122.820 -0.842 0.000 2.549 37 A HA 0.698 5.018 4.320 -0.000 0.000 0.297 37 A C -0.894 176.419 177.584 -0.452 0.000 1.061 37 A CA -0.114 51.583 52.037 -0.566 0.000 0.690 37 A CB 1.782 20.335 19.000 -0.744 0.000 1.287 37 A HN 0.981 nan 8.150 nan 0.000 0.402 38 G N 0.609 109.274 108.800 -0.226 0.000 2.405 38 G HA2 0.591 4.551 3.960 -0.000 0.000 0.312 38 G HA3 0.591 4.551 3.960 -0.000 0.000 0.312 38 G C -0.335 174.525 174.900 -0.066 0.000 1.579 38 G CA 0.227 45.272 45.100 -0.091 0.000 0.933 38 G HN 1.851 nan 8.290 nan 0.000 0.628 39 T N 0.111 114.640 114.554 -0.042 0.000 2.819 39 T HA 0.220 4.570 4.350 -0.000 0.000 0.282 39 T C 1.966 176.642 174.700 -0.040 0.000 1.013 39 T CA 0.896 62.972 62.100 -0.039 0.000 1.159 39 T CB 0.970 69.784 68.868 -0.090 0.000 1.007 39 T HN 1.745 nan 8.240 nan 0.000 0.514 40 S N 2.994 118.691 115.700 -0.005 0.000 2.400 40 S HA -0.139 4.331 4.470 -0.000 0.000 0.232 40 S C 0.949 175.549 174.600 -0.000 0.000 1.025 40 S CA 0.709 58.911 58.200 0.003 0.000 0.993 40 S CB -0.413 62.806 63.200 0.032 0.000 0.808 40 S HN 1.023 nan 8.310 nan 0.000 0.478 41 R N -0.336 120.168 120.500 0.007 0.000 4.635 41 R HA 0.182 4.522 4.340 -0.000 0.000 0.305 41 R C -1.811 174.529 176.300 0.065 0.000 0.882 41 R CA -0.237 55.876 56.100 0.022 0.000 1.298 41 R CB -0.133 30.189 30.300 0.036 0.000 1.324 41 R HN 0.332 nan 8.270 nan 0.000 0.544 42 L N 3.696 124.956 121.223 0.061 0.000 2.439 42 L HA 0.587 4.927 4.340 -0.000 0.000 0.259 42 L C -0.374 176.651 176.870 0.258 0.000 1.129 42 L CA -0.793 54.142 54.840 0.159 0.000 0.803 42 L CB 0.975 42.977 42.059 -0.096 0.000 1.161 42 L HN 0.458 nan 8.230 nan 0.000 0.462 43 L N 0.951 122.414 121.223 0.400 0.000 2.518 43 L HA 0.832 5.172 4.340 -0.000 0.000 0.257 43 L C -1.078 176.016 176.870 0.374 0.000 0.980 43 L CA -0.212 54.819 54.840 0.317 0.000 0.837 43 L CB 2.072 44.243 42.059 0.186 0.000 1.410 43 L HN 0.710 nan 8.230 nan 0.000 0.410 44 A N 1.685 124.646 122.820 0.234 0.000 2.604 44 A HA 0.926 5.246 4.320 -0.000 0.000 0.295 44 A C -1.992 175.622 177.584 0.049 0.000 1.067 44 A CA -0.566 51.545 52.037 0.125 0.000 0.683 44 A CB 2.006 21.080 19.000 0.124 0.000 1.281 44 A HN 0.569 nan 8.150 nan 0.000 0.407 45 V N 0.454 120.378 119.914 0.016 0.000 2.882 45 V HA 0.778 4.898 4.120 -0.000 0.000 0.295 45 V C 0.346 176.447 176.094 0.012 0.000 1.273 45 V CA 0.351 62.659 62.300 0.012 0.000 0.949 45 V CB 1.760 33.598 31.823 0.024 0.000 1.071 45 V HN 2.090 nan 8.190 nan 0.000 0.432 46 G N 2.147 110.962 108.800 0.026 0.000 2.578 46 G HA2 0.491 4.451 3.960 -0.000 0.000 0.302 46 G HA3 0.491 4.451 3.960 -0.000 0.000 0.302 46 G C -1.837 173.103 174.900 0.066 0.000 1.243 46 G CA -0.443 44.686 45.100 0.048 0.000 0.843 46 G HN 0.746 nan 8.290 nan 0.000 0.486 47 H N 1.456 120.523 119.070 -0.006 0.000 2.489 47 H HA 0.432 4.988 4.556 -0.000 0.000 0.343 47 H C -1.683 173.596 175.328 -0.083 0.000 1.086 47 H CA -1.930 54.088 56.048 -0.050 0.000 1.198 47 H CB 2.978 32.658 29.762 -0.137 0.000 1.490 47 H HN 0.150 nan 8.280 nan 0.000 0.504 48 P HA -0.139 nan 4.420 nan 0.000 0.221 48 P C 0.036 177.091 177.300 -0.407 0.000 1.145 48 P CA 1.359 64.237 63.100 -0.371 0.000 0.795 48 P CB 0.299 31.593 31.700 -0.677 0.000 0.775 49 Y N -1.366 119.015 120.300 0.135 0.000 2.494 49 Y HA 0.286 4.836 4.550 -0.000 0.000 0.271 49 Y C 1.034 177.099 175.900 0.275 0.000 1.113 49 Y CA -0.530 57.678 58.100 0.180 0.000 1.240 49 Y CB 0.331 38.922 38.460 0.219 0.000 1.268 49 Y HN -0.160 nan 8.280 nan 0.000 0.510 50 F N -2.064 118.117 119.950 0.384 0.000 2.719 50 F HA 0.690 5.217 4.527 -0.000 0.000 0.309 50 F C -3.453 172.372 175.800 0.041 0.000 1.138 50 F CA -3.191 54.884 58.000 0.125 0.000 0.943 50 F CB 0.707 39.726 39.000 0.031 0.000 1.304 50 F HN -0.362 nan 8.300 nan 0.000 0.445 51 P HA 0.215 nan 4.420 nan 0.000 0.271 51 P C -0.666 176.769 177.300 0.224 0.000 1.216 51 P CA 0.132 63.352 63.100 0.201 0.000 0.771 51 P CB 1.339 33.112 31.700 0.123 0.000 0.864 52 I N 3.986 124.649 120.570 0.155 0.000 2.310 52 I HA 0.213 4.383 4.170 -0.000 0.000 0.287 52 I C 1.148 177.314 176.117 0.082 0.000 1.073 52 I CA -0.149 61.231 61.300 0.134 0.000 1.216 52 I CB -0.091 37.989 38.000 0.133 0.000 1.415 52 I HN 0.316 nan 8.210 nan 0.000 0.480 53 K N 3.886 124.322 120.400 0.061 0.000 2.238 53 K HA 0.665 4.985 4.320 -0.000 0.000 0.239 53 K C -0.187 176.430 176.600 0.027 0.000 0.987 53 K CA -1.280 55.028 56.287 0.035 0.000 0.857 53 K CB 1.434 33.947 32.500 0.020 0.000 1.154 53 K HN 0.052 nan 8.250 nan 0.000 0.439 54 K N 1.507 121.918 120.400 0.018 0.000 2.518 54 K HA -0.014 4.306 4.320 -0.000 0.000 0.276 54 K C -1.581 175.022 176.600 0.005 0.000 0.974 54 K CA -0.953 55.342 56.287 0.013 0.000 0.986 54 K CB 0.403 32.908 32.500 0.008 0.000 0.901 54 K HN 0.429 nan 8.250 nan 0.000 0.497 55 P HA -0.164 nan 4.420 nan 0.000 0.219 55 P C -0.496 176.798 177.300 -0.010 0.000 1.146 55 P CA 1.700 64.797 63.100 -0.005 0.000 0.808 55 P CB 0.146 31.845 31.700 -0.002 0.000 0.779 56 N N -0.974 117.722 118.700 -0.007 0.000 2.672 56 N HA -0.029 4.710 4.740 -0.000 0.000 0.229 56 N C 0.725 176.230 175.510 -0.009 0.000 1.043 56 N CA -0.233 52.812 53.050 -0.009 0.000 0.932 56 N CB -1.359 37.124 38.487 -0.007 0.000 1.500 56 N HN -0.011 nan 8.380 nan 0.000 0.445 57 N N 1.090 119.787 118.700 -0.006 0.000 2.381 57 N HA -0.012 4.728 4.740 -0.000 0.000 0.241 57 N C -0.282 175.224 175.510 -0.006 0.000 1.279 57 N CA 0.009 53.056 53.050 -0.005 0.000 0.896 57 N CB 0.299 38.785 38.487 -0.002 0.000 1.118 57 N HN 0.384 nan 8.380 nan 0.000 0.438 58 N N 0.998 119.694 118.700 -0.007 0.000 2.401 58 N HA 0.062 4.802 4.740 -0.000 0.000 0.264 58 N C -0.831 174.676 175.510 -0.006 0.000 1.238 58 N CA -0.276 52.770 53.050 -0.008 0.000 0.889 58 N CB 0.291 38.770 38.487 -0.012 0.000 1.196 58 N HN 0.465 nan 8.380 nan 0.000 0.511 59 K N 1.880 122.278 120.400 -0.002 0.000 2.156 59 K HA 0.308 4.628 4.320 -0.000 0.000 0.271 59 K C 0.093 176.696 176.600 0.005 0.000 0.995 59 K CA -0.684 55.602 56.287 -0.002 0.000 0.890 59 K CB 1.310 33.808 32.500 -0.004 0.000 1.073 59 K HN 0.222 nan 8.250 nan 0.000 0.454 60 I N 4.021 124.593 120.570 0.004 0.000 2.329 60 I HA 0.060 4.229 4.170 -0.000 0.000 0.295 60 I C 0.920 177.047 176.117 0.016 0.000 1.109 60 I CA -0.437 60.872 61.300 0.015 0.000 1.297 60 I CB 0.342 38.349 38.000 0.011 0.000 1.433 60 I HN 0.564 nan 8.210 nan 0.000 0.509 61 L N 7.243 128.482 121.223 0.027 0.000 2.395 61 L HA 0.306 4.645 4.340 -0.000 0.000 0.218 61 L C 0.260 177.145 176.870 0.025 0.000 1.130 61 L CA 1.195 56.048 54.840 0.022 0.000 0.826 61 L CB 0.160 42.235 42.059 0.027 0.000 0.941 61 L HN 0.510 nan 8.230 nan 0.000 0.451 62 V N 0.239 120.177 119.914 0.040 0.000 3.049 62 V HA 0.602 4.722 4.120 -0.000 0.000 0.309 62 V C -2.561 173.563 176.094 0.051 0.000 1.148 62 V CA -1.009 61.318 62.300 0.045 0.000 0.990 62 V CB 2.300 34.163 31.823 0.068 0.000 1.039 62 V HN 0.046 nan 8.190 nan 0.000 0.430 63 P HA 0.428 nan 4.420 nan 0.000 0.290 63 P C -1.708 175.624 177.300 0.055 0.000 1.307 63 P CA -1.125 61.995 63.100 0.033 0.000 0.948 63 P CB 1.569 33.260 31.700 -0.015 0.000 1.312 64 K N 0.774 121.208 120.400 0.056 0.000 2.339 64 K HA 0.348 4.668 4.320 -0.000 0.000 0.286 64 K C -1.126 175.493 176.600 0.030 0.000 1.050 64 K CA -0.199 56.133 56.287 0.075 0.000 0.956 64 K CB -0.047 32.511 32.500 0.097 0.000 0.990 64 K HN 0.219 nan 8.250 nan 0.000 0.475 65 V N 3.847 123.780 119.914 0.032 0.000 2.454 65 V HA 0.118 4.238 4.120 -0.000 0.000 0.267 65 V C -0.325 175.775 176.094 0.009 0.000 0.993 65 V CA -0.822 61.474 62.300 -0.006 0.000 0.836 65 V CB 0.647 32.455 31.823 -0.027 0.000 1.055 65 V HN 0.817 nan 8.190 nan 0.000 0.452 66 S N 2.336 118.061 115.700 0.042 0.000 2.648 66 S HA 0.702 5.172 4.470 -0.000 0.000 0.305 66 S C 1.029 175.676 174.600 0.078 0.000 1.094 66 S CA 0.120 58.415 58.200 0.159 0.000 0.983 66 S CB 2.055 65.308 63.200 0.088 0.000 1.101 66 S HN 0.852 nan 8.310 nan 0.000 0.514 67 G N 0.479 109.411 108.800 0.219 0.000 3.295 67 G HA2 0.301 4.261 3.960 -0.000 0.000 0.231 67 G HA3 0.301 4.261 3.960 -0.000 0.000 0.231 67 G C 0.273 175.209 174.900 0.059 0.000 1.277 67 G CA -0.075 45.100 45.100 0.125 0.000 1.013 67 G HN 0.652 nan 8.290 nan 0.000 0.509 68 L N -0.529 120.716 121.223 0.036 0.000 3.122 68 L HA 0.279 4.619 4.340 -0.000 0.000 0.274 68 L C 0.398 177.245 176.870 -0.037 0.000 1.222 68 L CA -0.097 54.730 54.840 -0.022 0.000 1.028 68 L CB 0.453 42.495 42.059 -0.029 0.000 1.386 68 L HN 0.180 nan 8.230 nan 0.000 0.578 69 Q N -0.346 119.449 119.800 -0.008 0.000 2.293 69 Q HA 0.332 4.672 4.340 -0.000 0.000 0.261 69 Q C -1.175 174.834 176.000 0.015 0.000 0.960 69 Q CA -0.905 54.910 55.803 0.021 0.000 0.882 69 Q CB 1.449 30.208 28.738 0.035 0.000 1.275 69 Q HN 0.045 nan 8.270 nan 0.000 0.445 70 Y N 1.843 122.149 120.300 0.011 0.000 2.770 70 Y HA -0.055 4.495 4.550 -0.000 0.000 0.342 70 Y C 0.660 176.547 175.900 -0.022 0.000 1.221 70 Y CA 0.218 58.326 58.100 0.013 0.000 1.560 70 Y CB 0.327 38.780 38.460 -0.013 0.000 1.213 70 Y HN 0.243 nan 8.280 nan 0.000 0.525 71 R N 3.815 124.379 120.500 0.106 0.000 2.325 71 R HA 0.176 4.516 4.340 -0.000 0.000 0.323 71 R C -1.084 175.104 176.300 -0.185 0.000 1.177 71 R CA -0.345 55.686 56.100 -0.114 0.000 1.018 71 R CB 0.162 30.354 30.300 -0.180 0.000 1.070 71 R HN 0.356 nan 8.270 nan 0.000 0.495 72 V N 6.202 126.032 119.914 -0.142 0.000 2.368 72 V HA 0.196 4.316 4.120 -0.000 0.000 0.266 72 V C 0.162 176.155 176.094 -0.169 0.000 1.045 72 V CA -0.318 61.939 62.300 -0.072 0.000 0.899 72 V CB 0.070 31.905 31.823 0.021 0.000 1.006 72 V HN 0.368 nan 8.190 nan 0.000 0.470 73 F N 3.986 123.975 119.950 0.065 0.000 2.396 73 F HA 0.508 5.035 4.527 -0.000 0.000 0.343 73 F C 0.779 176.691 175.800 0.187 0.000 1.104 73 F CA -0.516 57.544 58.000 0.100 0.000 1.161 73 F CB 0.701 39.675 39.000 -0.043 0.000 1.146 73 F HN 0.306 nan 8.300 nan 0.000 0.522 74 R N 3.385 124.103 120.500 0.364 0.000 2.247 74 R HA 0.510 4.850 4.340 -0.000 0.000 0.329 74 R C -1.374 174.885 176.300 -0.069 0.000 1.014 74 R CA -0.648 55.641 56.100 0.315 0.000 0.907 74 R CB 0.145 30.616 30.300 0.286 0.000 1.146 74 R HN 0.527 nan 8.270 nan 0.000 0.499 75 I N 4.414 124.902 120.570 -0.136 0.000 2.325 75 I HA 0.141 4.310 4.170 -0.000 0.000 0.291 75 I C 0.090 175.983 176.117 -0.374 0.000 1.019 75 I CA -0.307 60.846 61.300 -0.245 0.000 1.302 75 I CB 0.921 38.746 38.000 -0.291 0.000 1.401 75 I HN 0.396 nan 8.210 nan 0.000 0.485 76 H N 7.480 126.491 119.070 -0.099 0.000 2.705 76 H HA 0.447 5.003 4.556 -0.000 0.000 0.291 76 H C -0.486 174.715 175.328 -0.212 0.000 1.085 76 H CA -0.340 55.634 56.048 -0.124 0.000 1.357 76 H CB 0.637 30.369 29.762 -0.051 0.000 1.419 76 H HN 0.393 nan 8.280 nan 0.000 0.462 77 L N 6.234 127.354 121.223 -0.172 0.000 2.317 77 L HA 0.346 4.686 4.340 -0.000 0.000 0.281 77 L C -1.968 174.664 176.870 -0.397 0.000 1.024 77 L CA -2.127 52.445 54.840 -0.446 0.000 0.810 77 L CB 1.759 43.432 42.059 -0.644 0.000 1.240 77 L HN 0.364 nan 8.230 nan 0.000 0.427 78 P HA -0.034 nan 4.420 nan 0.000 0.269 78 P C -1.026 176.194 177.300 -0.133 0.000 1.209 78 P CA -0.207 62.647 63.100 -0.409 0.000 0.776 78 P CB 0.699 32.010 31.700 -0.648 0.000 0.876 79 D N 3.282 123.688 120.400 0.010 0.000 2.348 79 D HA 0.070 4.710 4.640 -0.000 0.000 0.253 79 D C -1.212 175.192 176.300 0.173 0.000 1.161 79 D CA -2.040 52.038 54.000 0.130 0.000 0.876 79 D CB 0.579 41.454 40.800 0.125 0.000 1.160 79 D HN 0.160 nan 8.370 nan 0.000 0.459 80 P HA -0.107 nan 4.420 nan 0.000 0.218 80 P C 0.396 177.821 177.300 0.209 0.000 1.152 80 P CA 0.592 63.748 63.100 0.094 0.000 0.826 80 P CB 0.188 31.644 31.700 -0.406 0.000 0.790 81 N N 0.378 119.162 118.700 0.140 0.000 2.678 81 N HA -0.073 4.667 4.740 -0.000 0.000 0.199 81 N C 0.815 176.429 175.510 0.174 0.000 1.353 81 N CA 0.821 53.959 53.050 0.147 0.000 0.916 81 N CB -0.150 38.436 38.487 0.165 0.000 1.057 81 N HN 0.399 nan 8.380 nan 0.000 0.449 82 K N -1.653 118.853 120.400 0.176 0.000 2.343 82 K HA 0.020 4.340 4.320 -0.000 0.000 0.168 82 K C -0.368 176.273 176.600 0.068 0.000 1.857 82 K CA -0.370 55.988 56.287 0.120 0.000 1.014 82 K CB 0.178 32.736 32.500 0.098 0.000 1.735 82 K HN -0.063 nan 8.250 nan 0.000 0.527 83 F N 2.587 122.445 119.950 -0.152 0.000 2.563 83 F HA 0.254 4.781 4.527 -0.000 0.000 0.363 83 F C 1.066 176.605 175.800 -0.434 0.000 1.123 83 F CA -0.023 57.727 58.000 -0.417 0.000 1.307 83 F CB 0.673 39.178 39.000 -0.825 0.000 1.115 83 F HN 0.069 nan 8.300 nan 0.000 0.592 84 G N 6.844 114.913 108.800 -1.219 0.000 2.778 84 G HA2 0.161 4.121 3.960 -0.000 0.000 0.287 84 G HA3 0.161 4.121 3.960 -0.000 0.000 0.287 84 G C -0.621 173.657 174.900 -1.037 0.000 0.747 84 G CA -0.448 44.104 45.100 -0.913 0.000 1.961 84 G HN 0.490 nan 8.290 nan 0.000 0.539 85 F N 2.115 121.840 119.950 -0.376 0.000 2.443 85 F HA 0.232 4.759 4.527 -0.000 0.000 0.353 85 F C -0.367 175.442 175.800 0.015 0.000 1.101 85 F CA -1.977 55.987 58.000 -0.060 0.000 1.226 85 F CB 1.668 40.794 39.000 0.211 0.000 1.140 85 F HN 0.293 nan 8.300 nan 0.000 0.557 86 P HA -0.044 nan 4.420 nan 0.000 0.239 86 P C -0.774 176.642 177.300 0.193 0.000 1.184 86 P CA 0.947 64.164 63.100 0.196 0.000 0.760 86 P CB 0.062 31.878 31.700 0.195 0.000 0.884 87 D N -1.880 118.685 120.400 0.276 0.000 2.663 87 D HA 0.247 4.887 4.640 -0.000 0.000 0.233 87 D C 0.052 176.410 176.300 0.096 0.000 1.240 87 D CA -0.386 53.720 54.000 0.176 0.000 0.774 87 D CB 0.758 41.680 40.800 0.202 0.000 1.443 87 D HN -0.179 nan 8.370 nan 0.000 0.441 88 T N -1.397 113.021 114.554 -0.226 0.000 3.130 88 T HA 0.143 4.493 4.350 -0.000 0.000 0.288 88 T C 1.498 175.763 174.700 -0.725 0.000 0.936 88 T CA 0.590 62.355 62.100 -0.558 0.000 0.897 88 T CB -0.280 68.509 68.868 -0.132 0.000 1.178 88 T HN 0.298 nan 8.240 nan 0.000 0.543 89 S N 2.364 117.759 115.700 -0.507 0.000 2.382 89 S HA -0.120 4.350 4.470 -0.000 0.000 0.228 89 S C 1.842 176.274 174.600 -0.279 0.000 1.027 89 S CA 1.063 59.079 58.200 -0.307 0.000 0.991 89 S CB -1.235 61.890 63.200 -0.124 0.000 0.823 89 S HN 0.644 nan 8.310 nan 0.000 0.469 90 F N 1.965 121.920 119.950 0.009 0.000 2.307 90 F HA 0.157 4.684 4.527 -0.000 0.000 0.301 90 F C 0.934 176.769 175.800 0.059 0.000 1.076 90 F CA -0.454 57.543 58.000 -0.006 0.000 1.383 90 F CB -1.427 37.529 39.000 -0.073 0.000 1.055 90 F HN 0.532 nan 8.300 nan 0.000 0.526 91 Y N -0.445 119.704 120.300 -0.253 0.000 2.644 91 Y HA 0.560 5.110 4.550 -0.000 0.000 0.338 91 Y C -1.247 174.541 175.900 -0.187 0.000 1.119 91 Y CA -2.074 55.982 58.100 -0.074 0.000 1.060 91 Y CB 1.037 39.555 38.460 0.096 0.000 1.294 91 Y HN -0.128 nan 8.280 nan 0.000 0.472 92 N N 3.690 122.004 118.700 -0.644 0.000 2.546 92 N HA 0.391 5.131 4.740 -0.000 0.000 0.238 92 N C -2.207 172.840 175.510 -0.773 0.000 0.984 92 N CA -2.670 49.988 53.050 -0.654 0.000 0.935 92 N CB 1.319 39.636 38.487 -0.282 0.000 1.122 92 N HN 0.422 nan 8.380 nan 0.000 0.510 93 P HA -0.081 nan 4.420 nan 0.000 0.240 93 P C -0.464 176.700 177.300 -0.227 0.000 1.186 93 P CA 0.998 63.791 63.100 -0.512 0.000 0.755 93 P CB 0.463 31.968 31.700 -0.326 0.000 0.870 94 D N -1.311 118.959 120.400 -0.217 0.000 2.597 94 D HA -0.014 4.626 4.640 -0.000 0.000 0.261 94 D C 1.858 178.102 176.300 -0.092 0.000 1.023 94 D CA 1.473 55.399 54.000 -0.124 0.000 0.927 94 D CB -0.028 40.705 40.800 -0.112 0.000 1.168 94 D HN 0.252 nan 8.370 nan 0.000 0.491 95 T N -1.223 113.270 114.554 -0.101 0.000 3.056 95 T HA 0.073 4.423 4.350 -0.000 0.000 0.241 95 T C 1.098 175.763 174.700 -0.058 0.000 1.006 95 T CA -0.183 61.879 62.100 -0.063 0.000 1.115 95 T CB 0.214 69.053 68.868 -0.048 0.000 0.939 95 T HN 0.083 nan 8.240 nan 0.000 0.462 96 Q N 0.791 120.557 119.800 -0.056 0.000 2.205 96 Q HA 0.631 4.971 4.340 -0.000 0.000 0.249 96 Q C -0.860 175.150 176.000 0.016 0.000 0.948 96 Q CA -1.085 54.711 55.803 -0.010 0.000 0.895 96 Q CB 1.617 30.395 28.738 0.066 0.000 1.249 96 Q HN 0.095 nan 8.270 nan 0.000 0.458 97 R N 1.562 121.986 120.500 -0.127 0.000 2.575 97 R HA 0.441 4.781 4.340 -0.000 0.000 0.293 97 R C -0.662 175.476 176.300 -0.271 0.000 0.983 97 R CA -0.788 55.135 56.100 -0.296 0.000 0.887 97 R CB 1.655 31.386 30.300 -0.948 0.000 1.184 97 R HN 0.655 nan 8.270 nan 0.000 0.445 98 L N 2.288 123.354 121.223 -0.261 0.000 2.426 98 L HA 0.355 4.694 4.340 -0.000 0.000 0.271 98 L C 0.167 177.010 176.870 -0.046 0.000 1.169 98 L CA -0.264 54.414 54.840 -0.270 0.000 0.836 98 L CB 0.510 42.302 42.059 -0.444 0.000 1.112 98 L HN 0.159 nan 8.230 nan 0.000 0.465 99 V N 0.872 120.751 119.914 -0.058 0.000 3.007 99 V HA 0.401 4.521 4.120 -0.000 0.000 0.311 99 V C -0.785 175.277 176.094 -0.054 0.000 1.120 99 V CA -0.678 61.700 62.300 0.129 0.000 0.980 99 V CB 2.326 34.291 31.823 0.237 0.000 1.033 99 V HN 0.632 nan 8.190 nan 0.000 0.429 100 W N 1.475 122.780 121.300 0.007 0.000 2.260 100 W HA 0.755 5.415 4.660 -0.000 0.000 0.366 100 W C 0.133 176.641 176.519 -0.018 0.000 1.315 100 W CA -0.069 57.265 57.345 -0.019 0.000 1.458 100 W CB 1.391 30.791 29.460 -0.099 0.000 1.255 100 W HN 0.698 nan 8.180 nan 0.000 0.671 101 A N 0.978 124.096 122.820 0.496 0.000 2.488 101 A HA 0.578 4.898 4.320 -0.000 0.000 0.298 101 A C -1.827 175.985 177.584 0.379 0.000 1.044 101 A CA -0.631 51.559 52.037 0.255 0.000 0.693 101 A CB 0.978 20.041 19.000 0.105 0.000 1.272 101 A HN 0.634 nan 8.150 nan 0.000 0.402 102 C N 2.393 121.804 119.300 0.185 0.000 2.382 102 C HA 0.715 5.175 4.460 -0.000 0.000 0.327 102 C C 1.360 176.271 174.990 -0.132 0.000 1.250 102 C CA 0.408 59.442 59.018 0.026 0.000 1.707 102 C CB 0.549 28.325 27.740 0.061 0.000 2.272 102 C HN 1.288 nan 8.230 nan 0.000 0.506 103 V N 2.908 122.691 119.914 -0.218 0.000 3.251 103 V HA 0.490 4.610 4.120 -0.000 0.000 0.239 103 V C 0.840 176.835 176.094 -0.165 0.000 1.332 103 V CA 0.771 62.945 62.300 -0.211 0.000 1.224 103 V CB -0.727 30.924 31.823 -0.287 0.000 1.004 103 V HN 0.884 nan 8.190 nan 0.000 0.464 104 G N 1.063 109.667 108.800 -0.328 0.000 2.384 104 G HA2 0.615 4.575 3.960 -0.000 0.000 0.316 104 G HA3 0.615 4.575 3.960 -0.000 0.000 0.316 104 G C -1.201 173.444 174.900 -0.425 0.000 1.160 104 G CA -0.294 44.652 45.100 -0.257 0.000 0.936 104 G HN 0.314 nan 8.290 nan 0.000 0.455 105 V N 2.037 121.645 119.914 -0.510 0.000 2.709 105 V HA 0.621 4.741 4.120 -0.000 0.000 0.308 105 V C -0.539 175.045 176.094 -0.850 0.000 1.062 105 V CA -0.813 61.105 62.300 -0.636 0.000 0.901 105 V CB 2.146 33.789 31.823 -0.300 0.000 1.003 105 V HN 0.861 nan 8.190 nan 0.000 0.425 106 E N 2.946 122.629 120.200 -0.862 0.000 2.274 106 E HA 0.515 4.865 4.350 -0.000 0.000 0.269 106 E C -1.881 174.352 176.600 -0.611 0.000 0.891 106 E CA -0.524 55.337 56.400 -0.900 0.000 0.784 106 E CB 2.330 31.617 29.700 -0.688 0.000 1.225 106 E HN 0.441 nan 8.360 nan 0.000 0.412 107 V N 4.023 123.711 119.914 -0.377 0.000 2.339 107 V HA 0.329 4.449 4.120 -0.000 0.000 0.261 107 V C 0.855 176.927 176.094 -0.037 0.000 1.058 107 V CA -0.134 62.134 62.300 -0.054 0.000 0.897 107 V CB 0.795 32.848 31.823 0.383 0.000 1.052 107 V HN 0.744 nan 8.190 nan 0.000 0.480 108 G N 6.288 115.000 108.800 -0.147 0.000 2.298 108 G HA2 0.266 4.226 3.960 -0.000 0.000 0.263 108 G HA3 0.266 4.226 3.960 -0.000 0.000 0.263 108 G C 0.098 174.916 174.900 -0.137 0.000 1.229 108 G CA -0.397 44.629 45.100 -0.124 0.000 0.976 108 G HN 0.565 nan 8.290 nan 0.000 0.459 109 R N 2.006 122.421 120.500 -0.140 0.000 2.562 109 R HA 0.507 4.847 4.340 -0.000 0.000 0.298 109 R C 0.166 176.370 176.300 -0.160 0.000 0.961 109 R CA -0.736 55.207 56.100 -0.261 0.000 0.881 109 R CB 2.368 32.474 30.300 -0.324 0.000 1.159 109 R HN 0.528 nan 8.270 nan 0.000 0.450 110 G N 2.095 110.790 108.800 -0.176 0.000 4.959 110 G HA2 0.168 4.128 3.960 -0.000 0.000 0.297 110 G HA3 0.168 4.128 3.960 -0.000 0.000 0.297 110 G C -0.423 174.426 174.900 -0.086 0.000 1.351 110 G CA -0.146 44.893 45.100 -0.102 0.000 1.016 110 G HN 0.197 nan 8.290 nan 0.000 0.592 111 Q N 1.156 120.903 119.800 -0.088 0.000 2.315 111 Q HA 0.371 4.711 4.340 -0.000 0.000 0.273 111 Q C -2.681 173.299 176.000 -0.034 0.000 1.053 111 Q CA -1.865 53.906 55.803 -0.055 0.000 0.817 111 Q CB 3.268 31.962 28.738 -0.073 0.000 1.326 111 Q HN 0.213 nan 8.270 nan 0.000 0.423 112 P HA -0.046 nan 4.420 nan 0.000 0.264 112 P C -0.299 177.001 177.300 0.000 0.000 1.183 112 P CA -0.299 62.797 63.100 -0.005 0.000 0.763 112 P CB 0.573 32.273 31.700 0.001 0.000 0.807 113 L N 2.831 124.056 121.223 0.004 0.000 2.483 113 L HA 0.482 4.822 4.340 -0.000 0.000 0.276 113 L C 1.401 178.278 176.870 0.012 0.000 1.213 113 L CA 1.497 56.344 54.840 0.012 0.000 0.843 113 L CB -0.455 41.615 42.059 0.017 0.000 1.107 113 L HN 0.811 nan 8.230 nan 0.000 0.487 114 G N 0.983 109.793 108.800 0.016 0.000 2.377 114 G HA2 0.481 4.441 3.960 -0.000 0.000 0.297 114 G HA3 0.481 4.441 3.960 -0.000 0.000 0.297 114 G C -1.487 173.417 174.900 0.007 0.000 1.547 114 G CA -0.283 44.823 45.100 0.009 0.000 0.833 114 G HN 0.641 nan 8.290 nan 0.000 0.583 115 V N -0.152 119.760 119.914 -0.003 0.000 2.465 115 V HA 0.893 5.013 4.120 -0.000 0.000 0.279 115 V C 0.799 176.867 176.094 -0.043 0.000 1.045 115 V CA 0.142 62.436 62.300 -0.009 0.000 0.938 115 V CB 1.048 32.870 31.823 -0.002 0.000 0.986 115 V HN 1.506 nan 8.190 nan 0.000 0.467 116 G N 3.907 112.673 108.800 -0.057 0.000 2.425 116 G HA2 0.641 4.601 3.960 -0.000 0.000 0.302 116 G HA3 0.641 4.601 3.960 -0.000 0.000 0.302 116 G C -0.863 173.996 174.900 -0.069 0.000 1.159 116 G CA -0.804 44.231 45.100 -0.109 0.000 0.865 116 G HN 0.985 nan 8.290 nan 0.000 0.515 117 I N 0.528 121.060 120.570 -0.063 0.000 2.474 117 I HA 0.578 4.748 4.170 -0.000 0.000 0.294 117 I C -0.439 175.709 176.117 0.052 0.000 1.005 117 I CA -0.522 60.757 61.300 -0.035 0.000 1.113 117 I CB 1.978 39.976 38.000 -0.004 0.000 1.289 117 I HN 0.462 nan 8.210 nan 0.000 0.436 118 S N 3.991 119.684 115.700 -0.012 0.000 2.634 118 S HA 0.982 5.452 4.470 -0.000 0.000 0.296 118 S C -0.200 174.508 174.600 0.181 0.000 1.104 118 S CA -0.530 57.871 58.200 0.336 0.000 0.920 118 S CB 2.031 65.409 63.200 0.297 0.000 1.111 118 S HN 0.961 nan 8.310 nan 0.000 0.493 119 G N 0.114 109.055 108.800 0.236 0.000 2.570 119 G HA2 0.550 4.510 3.960 -0.000 0.000 0.310 119 G HA3 0.550 4.510 3.960 -0.000 0.000 0.310 119 G C -2.206 172.774 174.900 0.132 0.000 1.266 119 G CA -0.392 44.790 45.100 0.137 0.000 0.825 119 G HN 0.698 nan 8.290 nan 0.000 0.483 120 H N -0.321 118.759 119.070 0.016 0.000 3.137 120 H HA 0.408 4.964 4.556 -0.000 0.000 0.336 120 H C -2.387 172.927 175.328 -0.023 0.000 1.055 120 H CA -1.277 54.769 56.048 -0.003 0.000 1.349 120 H CB 2.664 32.429 29.762 0.005 0.000 1.939 120 H HN 0.143 nan 8.280 nan 0.000 0.487 121 P HA 0.025 nan 4.420 nan 0.000 0.219 121 P C 0.274 177.659 177.300 0.143 0.000 1.150 121 P CA 0.977 64.203 63.100 0.210 0.000 0.814 121 P CB 0.431 32.195 31.700 0.106 0.000 0.787 122 L N -0.720 120.601 121.223 0.163 0.000 2.825 122 L HA 0.309 4.649 4.340 -0.000 0.000 0.236 122 L C -0.167 176.317 176.870 -0.643 0.000 1.301 122 L CA -0.904 53.777 54.840 -0.264 0.000 0.977 122 L CB 0.239 42.203 42.059 -0.158 0.000 1.300 122 L HN -0.110 nan 8.230 nan 0.000 0.486 123 L N 1.343 122.315 121.223 -0.418 0.000 2.361 123 L HA 0.239 4.579 4.340 -0.000 0.000 0.278 123 L C 0.847 177.546 176.870 -0.285 0.000 1.113 123 L CA 0.316 54.933 54.840 -0.372 0.000 0.849 123 L CB 0.462 42.452 42.059 -0.115 0.000 1.155 123 L HN 0.292 nan 8.230 nan 0.000 0.452 124 N N 5.128 123.631 118.700 -0.329 0.000 2.349 124 N HA -0.063 4.677 4.740 -0.000 0.000 0.296 124 N C -0.932 174.455 175.510 -0.204 0.000 1.304 124 N CA 0.398 53.287 53.050 -0.268 0.000 1.051 124 N CB -0.270 38.042 38.487 -0.293 0.000 1.466 124 N HN 0.490 nan 8.380 nan 0.000 0.487 125 K N 4.299 124.616 120.400 -0.138 0.000 2.471 125 K HA 0.174 4.494 4.320 -0.000 0.000 0.252 125 K C -0.042 176.463 176.600 -0.158 0.000 0.938 125 K CA -0.681 55.545 56.287 -0.102 0.000 0.796 125 K CB 1.312 33.645 32.500 -0.279 0.000 1.161 125 K HN 0.246 nan 8.250 nan 0.000 0.425 126 L N 3.147 124.312 121.223 -0.097 0.000 2.121 126 L HA 0.244 4.583 4.340 -0.000 0.000 0.200 126 L C -0.194 176.593 176.870 -0.139 0.000 1.132 126 L CA 1.836 56.618 54.840 -0.096 0.000 0.782 126 L CB -0.199 41.834 42.059 -0.043 0.000 0.940 126 L HN 0.909 nan 8.230 nan 0.000 0.458 127 D N -2.774 117.555 120.400 -0.117 0.000 2.643 127 D HA 0.274 4.914 4.640 -0.000 0.000 0.283 127 D C -1.583 174.698 176.300 -0.032 0.000 1.242 127 D CA -0.638 53.302 54.000 -0.100 0.000 0.863 127 D CB 0.419 41.192 40.800 -0.045 0.000 1.382 127 D HN 0.045 nan 8.370 nan 0.000 0.444 128 D N -1.514 118.896 120.400 0.018 0.000 2.277 128 D HA 0.381 5.021 4.640 -0.000 0.000 0.249 128 D C 0.500 176.877 176.300 0.129 0.000 1.134 128 D CA -0.331 53.769 54.000 0.167 0.000 0.863 128 D CB 1.191 42.077 40.800 0.144 0.000 1.143 128 D HN 0.393 nan 8.370 nan 0.000 0.458 129 T N 0.650 115.308 114.554 0.173 0.000 3.040 129 T HA 0.014 4.364 4.350 -0.000 0.000 0.250 129 T C 1.445 176.175 174.700 0.050 0.000 1.058 129 T CA -0.164 62.006 62.100 0.117 0.000 0.988 129 T CB 0.014 69.005 68.868 0.206 0.000 0.993 129 T HN 0.591 nan 8.240 nan 0.000 0.519 130 E N 2.241 122.478 120.200 0.062 0.000 2.150 130 E HA -0.131 4.219 4.350 -0.000 0.000 0.193 130 E C 0.397 177.005 176.600 0.012 0.000 0.985 130 E CA 0.780 57.194 56.400 0.022 0.000 0.814 130 E CB 0.158 29.889 29.700 0.050 0.000 0.752 130 E HN 0.464 nan 8.360 nan 0.000 0.466 131 N N -0.780 117.934 118.700 0.024 0.000 2.777 131 N HA 0.256 4.996 4.740 -0.000 0.000 0.260 131 N C -1.820 173.692 175.510 0.004 0.000 1.113 131 N CA 0.068 53.121 53.050 0.005 0.000 0.996 131 N CB 1.483 39.975 38.487 0.009 0.000 1.584 131 N HN 0.184 nan 8.380 nan 0.000 0.573 132 A N 1.568 124.378 122.820 -0.017 0.000 2.281 132 A HA 0.666 4.986 4.320 -0.000 0.000 0.329 132 A C 0.849 178.423 177.584 -0.017 0.000 1.122 132 A CA 0.060 52.082 52.037 -0.025 0.000 0.850 132 A CB 0.848 19.812 19.000 -0.060 0.000 1.207 132 A HN 0.972 nan 8.150 nan 0.000 0.495 133 S N -0.853 114.842 115.700 -0.009 0.000 2.540 133 S HA 0.601 5.071 4.470 -0.000 0.000 0.222 133 S C 0.287 174.893 174.600 0.010 0.000 1.008 133 S CA 0.627 58.828 58.200 0.001 0.000 0.939 133 S CB -0.054 63.150 63.200 0.006 0.000 0.865 133 S HN 2.343 nan 8.310 nan 0.000 0.499 134 A N 0.139 122.964 122.820 0.008 0.000 2.571 134 A HA 0.489 4.809 4.320 -0.000 0.000 0.296 134 A C -1.494 176.124 177.584 0.057 0.000 1.005 134 A CA -0.882 51.180 52.037 0.042 0.000 0.682 134 A CB -0.309 18.719 19.000 0.047 0.000 1.292 134 A HN 0.331 nan 8.150 nan 0.000 0.420 135 Y N 1.615 121.919 120.300 0.007 0.000 2.620 135 Y HA 0.338 4.888 4.550 -0.000 0.000 0.330 135 Y C 1.142 177.042 175.900 -0.000 0.000 1.186 135 Y CA 1.159 59.261 58.100 0.005 0.000 1.467 135 Y CB 0.631 39.092 38.460 0.002 0.000 1.262 135 Y HN 1.099 nan 8.280 nan 0.000 0.550 136 A N 4.725 127.676 122.820 0.219 0.000 2.498 136 A HA 0.482 4.802 4.320 -0.000 0.000 0.239 136 A C -0.056 177.638 177.584 0.183 0.000 1.068 136 A CA -0.060 52.066 52.037 0.149 0.000 0.766 136 A CB -0.236 18.808 19.000 0.073 0.000 1.003 136 A HN 0.928 nan 8.150 nan 0.000 0.497 137 A N 3.143 126.015 122.820 0.086 0.000 2.354 137 A HA 0.486 4.806 4.320 -0.000 0.000 0.269 137 A C 0.547 178.152 177.584 0.036 0.000 1.109 137 A CA -0.598 51.469 52.037 0.050 0.000 0.800 137 A CB -0.175 18.839 19.000 0.023 0.000 1.045 137 A HN 0.934 nan 8.150 nan 0.000 0.489 138 N N 0.063 118.774 118.700 0.018 0.000 2.207 138 N HA 0.274 5.014 4.740 -0.000 0.000 0.220 138 N C 0.032 175.539 175.510 -0.004 0.000 1.303 138 N CA 1.261 54.314 53.050 0.005 0.000 0.875 138 N CB 0.189 38.670 38.487 -0.011 0.000 1.094 138 N HN 0.814 nan 8.380 nan 0.000 0.435 139 A N 0.339 123.152 122.820 -0.012 0.000 2.273 139 A HA 0.601 4.921 4.320 -0.000 0.000 0.320 139 A C 1.216 178.785 177.584 -0.025 0.000 1.358 139 A CA -0.287 51.737 52.037 -0.022 0.000 0.910 139 A CB -0.282 18.701 19.000 -0.028 0.000 1.159 139 A HN 0.663 nan 8.150 nan 0.000 0.526 140 G N 1.256 110.041 108.800 -0.025 0.000 2.410 140 G HA2 0.075 4.035 3.960 -0.000 0.000 0.660 140 G HA3 0.075 4.035 3.960 -0.000 0.000 0.660 140 G C 0.271 175.152 174.900 -0.031 0.000 1.049 140 G CA 1.182 46.266 45.100 -0.027 0.000 1.061 140 G HN 1.155 nan 8.290 nan 0.000 0.778 141 V N 0.252 120.146 119.914 -0.033 0.000 2.789 141 V HA 0.492 4.612 4.120 -0.000 0.000 0.311 141 V C -0.279 175.788 176.094 -0.045 0.000 1.073 141 V CA 0.236 62.513 62.300 -0.038 0.000 0.921 141 V CB 1.724 33.527 31.823 -0.033 0.000 1.009 141 V HN 0.914 nan 8.190 nan 0.000 0.426 142 D N 3.019 123.387 120.400 -0.054 0.000 3.187 142 D HA -0.155 4.485 4.640 -0.000 0.000 0.244 142 D C 0.461 176.721 176.300 -0.066 0.000 1.114 142 D CA 0.539 54.501 54.000 -0.063 0.000 0.920 142 D CB -0.603 40.164 40.800 -0.054 0.000 0.970 142 D HN 0.759 nan 8.370 nan 0.000 0.418 143 N N 0.788 119.444 118.700 -0.074 0.000 2.336 143 N HA 0.046 4.786 4.740 -0.000 0.000 0.189 143 N C 0.274 175.724 175.510 -0.101 0.000 1.113 143 N CA -0.117 52.886 53.050 -0.080 0.000 0.858 143 N CB 0.266 38.706 38.487 -0.079 0.000 0.970 143 N HN 0.374 nan 8.380 nan 0.000 0.471 144 R N 1.371 121.804 120.500 -0.112 0.000 2.644 144 R HA -0.037 4.302 4.340 -0.000 0.000 0.265 144 R C 0.102 176.328 176.300 -0.123 0.000 0.985 144 R CA 0.788 56.805 56.100 -0.139 0.000 1.097 144 R CB 0.144 30.354 30.300 -0.150 0.000 0.931 144 R HN 0.350 nan 8.270 nan 0.000 0.419 145 E N 0.388 120.508 120.200 -0.134 0.000 2.456 145 E HA 0.198 4.547 4.350 -0.000 0.000 0.276 145 E C -1.235 175.319 176.600 -0.077 0.000 0.981 145 E CA -0.937 55.401 56.400 -0.103 0.000 0.814 145 E CB 1.590 31.216 29.700 -0.123 0.000 1.382 145 E HN 0.445 nan 8.360 nan 0.000 0.459 146 C N 2.233 121.506 119.300 -0.044 0.000 2.227 146 C HA 0.516 4.976 4.460 -0.000 0.000 0.333 146 C C -0.311 174.683 174.990 0.007 0.000 1.145 146 C CA -0.115 58.900 59.018 -0.005 0.000 1.643 146 C CB -2.034 25.704 27.740 -0.003 0.000 2.185 146 C HN 0.363 nan 8.230 nan 0.000 0.497 147 I N 5.566 126.163 120.570 0.044 0.000 2.647 147 I HA 0.463 4.633 4.170 -0.000 0.000 0.295 147 I C 0.220 176.406 176.117 0.113 0.000 1.078 147 I CA -0.007 61.346 61.300 0.088 0.000 1.048 147 I CB 2.543 40.634 38.000 0.150 0.000 1.239 147 I HN 0.659 nan 8.210 nan 0.000 0.421 148 S N 5.788 121.548 115.700 0.099 0.000 2.874 148 S HA 0.872 5.342 4.470 -0.000 0.000 0.318 148 S C -0.508 174.127 174.600 0.058 0.000 1.109 148 S CA -0.757 57.492 58.200 0.081 0.000 0.878 148 S CB 2.436 65.668 63.200 0.054 0.000 1.307 148 S HN 0.711 nan 8.310 nan 0.000 0.592 149 M N -0.261 119.319 119.600 -0.033 0.000 3.472 149 M HA 0.454 4.934 4.480 -0.000 0.000 0.293 149 M C -2.587 173.593 176.300 -0.200 0.000 1.316 149 M CA -0.702 54.539 55.300 -0.098 0.000 0.857 149 M CB 1.399 33.936 32.600 -0.104 0.000 1.708 149 M HN 0.710 nan 8.290 nan 0.000 0.505 150 D N 1.193 121.474 120.400 -0.197 0.000 2.446 150 D HA 0.361 5.001 4.640 -0.000 0.000 0.251 150 D C -0.867 175.354 176.300 -0.132 0.000 1.137 150 D CA -0.214 53.686 54.000 -0.166 0.000 0.890 150 D CB 0.137 40.880 40.800 -0.095 0.000 1.071 150 D HN 0.621 nan 8.370 nan 0.000 0.528 151 Y N 1.560 121.827 120.300 -0.055 0.000 3.103 151 Y HA -0.277 4.273 4.550 -0.000 0.000 0.349 151 Y C 1.709 177.558 175.900 -0.086 0.000 1.277 151 Y CA 0.050 58.103 58.100 -0.078 0.000 1.493 151 Y CB 0.668 39.114 38.460 -0.022 0.000 1.290 151 Y HN 0.374 nan 8.280 nan 0.000 0.651 152 K N 3.623 124.088 120.400 0.108 0.000 2.451 152 K HA -0.009 4.311 4.320 -0.000 0.000 0.280 152 K C -0.497 176.139 176.600 0.060 0.000 1.020 152 K CA -0.402 55.907 56.287 0.037 0.000 1.008 152 K CB 0.538 33.038 32.500 -0.002 0.000 0.917 152 K HN 0.595 nan 8.250 nan 0.000 0.478 153 Q N 2.401 122.238 119.800 0.060 0.000 2.289 153 Q HA 0.053 4.393 4.340 -0.000 0.000 0.273 153 Q C -0.940 175.105 176.000 0.074 0.000 1.029 153 Q CA 0.473 56.317 55.803 0.069 0.000 0.896 153 Q CB 0.827 29.607 28.738 0.069 0.000 1.182 153 Q HN 0.730 nan 8.270 nan 0.000 0.385 154 T N 4.275 118.876 114.554 0.079 0.000 3.031 154 T HA 0.271 4.621 4.350 -0.000 0.000 0.305 154 T C -1.032 173.741 174.700 0.123 0.000 0.985 154 T CA -0.621 61.535 62.100 0.093 0.000 1.008 154 T CB 1.374 70.282 68.868 0.068 0.000 1.005 154 T HN 0.527 nan 8.240 nan 0.000 0.444 155 Q N 3.239 123.133 119.800 0.157 0.000 2.337 155 Q HA 0.613 4.952 4.340 -0.000 0.000 0.264 155 Q C -1.532 174.594 176.000 0.209 0.000 1.007 155 Q CA -0.831 55.115 55.803 0.237 0.000 0.727 155 Q CB 0.817 29.680 28.738 0.208 0.000 1.256 155 Q HN 0.682 nan 8.270 nan 0.000 0.467 156 L N 0.214 121.622 121.223 0.308 0.000 2.409 156 L HA 0.913 5.252 4.340 -0.000 0.000 0.255 156 L C -1.634 175.456 176.870 0.367 0.000 1.027 156 L CA -0.847 54.130 54.840 0.230 0.000 0.834 156 L CB 2.015 44.196 42.059 0.204 0.000 1.426 156 L HN 0.510 nan 8.230 nan 0.000 0.411 157 C N 2.072 121.439 119.300 0.112 0.000 2.609 157 C HA 0.808 5.268 4.460 -0.000 0.000 0.313 157 C C -1.081 173.894 174.990 -0.025 0.000 1.175 157 C CA -0.531 58.563 59.018 0.126 0.000 1.434 157 C CB 0.982 28.769 27.740 0.077 0.000 2.005 157 C HN 0.863 nan 8.230 nan 0.000 0.471 158 L N 6.901 128.182 121.223 0.096 0.000 2.325 158 L HA 0.632 4.972 4.340 -0.000 0.000 0.281 158 L C -0.541 176.404 176.870 0.125 0.000 1.004 158 L CA -0.419 54.466 54.840 0.076 0.000 0.823 158 L CB 1.305 43.413 42.059 0.081 0.000 1.236 158 L HN 0.545 nan 8.230 nan 0.000 0.415 159 I N 2.448 123.101 120.570 0.138 0.000 2.406 159 I HA 0.799 4.969 4.170 -0.000 0.000 0.290 159 I C 0.269 176.301 176.117 -0.141 0.000 0.999 159 I CA -0.433 61.007 61.300 0.235 0.000 1.124 159 I CB 2.057 40.391 38.000 0.558 0.000 1.289 159 I HN 0.707 nan 8.210 nan 0.000 0.441 160 G N 2.855 111.531 108.800 -0.207 0.000 2.601 160 G HA2 0.332 4.292 3.960 -0.000 0.000 0.291 160 G HA3 0.332 4.292 3.960 -0.000 0.000 0.291 160 G C 0.013 174.816 174.900 -0.162 0.000 1.456 160 G CA -0.386 44.357 45.100 -0.595 0.000 0.804 160 G HN 0.772 nan 8.290 nan 0.000 0.499 161 C N -1.309 117.904 119.300 -0.145 0.000 2.533 161 C HA 0.488 4.948 4.460 -0.000 0.000 0.272 161 C C 0.500 175.400 174.990 -0.151 0.000 1.371 161 C CA -0.242 58.743 59.018 -0.054 0.000 1.758 161 C CB -0.751 27.069 27.740 0.134 0.000 1.972 161 C HN 0.340 nan 8.230 nan 0.000 0.522 162 K N 2.213 122.598 120.400 -0.025 0.000 2.156 162 K HA 0.562 4.882 4.320 -0.000 0.000 0.254 162 K C -2.716 174.094 176.600 0.350 0.000 0.950 162 K CA -2.407 53.932 56.287 0.087 0.000 0.849 162 K CB 0.999 33.511 32.500 0.020 0.000 1.100 162 K HN 0.141 nan 8.250 nan 0.000 0.434 163 P HA 0.165 nan 4.420 nan 0.000 0.272 163 P C -2.511 174.669 177.300 -0.199 0.000 1.223 163 P CA -1.202 61.745 63.100 -0.256 0.000 0.784 163 P CB -0.139 31.141 31.700 -0.701 0.000 0.923 164 P HA 0.309 nan 4.420 nan 0.000 0.275 164 P C -0.291 176.860 177.300 -0.248 0.000 1.227 164 P CA 0.176 63.147 63.100 -0.214 0.000 0.781 164 P CB 0.490 32.069 31.700 -0.201 0.000 0.906 165 I N 2.015 122.450 120.570 -0.226 0.000 2.355 165 I HA 0.381 4.551 4.170 -0.000 0.000 0.288 165 I C 1.151 177.104 176.117 -0.273 0.000 0.999 165 I CA -0.171 60.993 61.300 -0.227 0.000 1.163 165 I CB 1.476 39.372 38.000 -0.173 0.000 1.316 165 I HN 0.389 nan 8.210 nan 0.000 0.454 166 G N 4.986 113.620 108.800 -0.277 0.000 2.531 166 G HA2 0.730 4.690 3.960 -0.000 0.000 0.281 166 G HA3 0.730 4.690 3.960 -0.000 0.000 0.281 166 G C -0.915 173.884 174.900 -0.168 0.000 1.382 166 G CA -0.229 44.710 45.100 -0.269 0.000 1.045 166 G HN 0.667 nan 8.290 nan 0.000 0.533 167 E N -1.673 118.460 120.200 -0.112 0.000 2.407 167 E HA 0.564 4.914 4.350 -0.000 0.000 0.279 167 E C -1.382 175.198 176.600 -0.034 0.000 1.012 167 E CA -1.056 55.266 56.400 -0.130 0.000 0.800 167 E CB 2.165 31.732 29.700 -0.223 0.000 1.276 167 E HN 0.869 nan 8.360 nan 0.000 0.452 168 H N -0.634 118.277 119.070 -0.266 0.000 3.020 168 H HA 0.251 4.807 4.556 -0.000 0.000 0.303 168 H C -1.928 173.269 175.328 -0.219 0.000 1.332 168 H CA -1.188 54.736 56.048 -0.207 0.000 1.282 168 H CB -0.221 29.484 29.762 -0.095 0.000 1.928 168 H HN 0.665 nan 8.280 nan 0.000 0.519 169 W N 0.909 122.068 121.300 -0.235 0.000 2.390 169 W HA 0.673 5.333 4.660 -0.000 0.000 0.362 169 W C 0.639 177.043 176.519 -0.192 0.000 1.206 169 W CA 0.466 57.671 57.345 -0.234 0.000 1.355 169 W CB 1.768 31.181 29.460 -0.079 0.000 1.278 169 W HN 1.028 nan 8.180 nan 0.000 0.653 170 G N 0.066 108.982 108.800 0.194 0.000 2.427 170 G HA2 0.261 4.221 3.960 -0.000 0.000 0.306 170 G HA3 0.261 4.221 3.960 -0.000 0.000 0.306 170 G C -2.033 172.929 174.900 0.104 0.000 1.280 170 G CA -1.139 44.039 45.100 0.130 0.000 0.837 170 G HN 0.295 nan 8.290 nan 0.000 0.482 171 K N 0.295 120.743 120.400 0.080 0.000 2.268 171 K HA 0.545 4.865 4.320 -0.000 0.000 0.276 171 K C 0.107 176.737 176.600 0.050 0.000 1.080 171 K CA -0.309 56.013 56.287 0.059 0.000 0.910 171 K CB 0.617 33.145 32.500 0.048 0.000 1.163 171 K HN 0.690 nan 8.250 nan 0.000 0.465 172 G N 2.912 111.741 108.800 0.049 0.000 3.161 172 G HA2 0.078 4.038 3.960 -0.000 0.000 0.328 172 G HA3 0.078 4.038 3.960 -0.000 0.000 0.328 172 G C -0.414 174.504 174.900 0.031 0.000 1.037 172 G CA -0.395 44.728 45.100 0.038 0.000 1.416 172 G HN 0.674 nan 8.290 nan 0.000 0.486 173 S N 2.079 117.795 115.700 0.026 0.000 4.678 173 S HA -0.134 4.336 4.470 -0.000 0.000 0.562 173 S C -0.849 173.762 174.600 0.018 0.000 0.956 173 S CA -0.168 58.044 58.200 0.019 0.000 1.106 173 S CB 0.177 63.387 63.200 0.016 0.000 1.970 173 S HN 0.601 nan 8.310 nan 0.000 0.358 174 P HA -0.051 nan 4.420 nan 0.000 0.285 174 P C -0.020 177.288 177.300 0.013 0.000 1.689 174 P CA -0.124 62.984 63.100 0.014 0.000 1.384 174 P CB 0.402 32.108 31.700 0.010 0.000 0.943 175 C N -0.986 118.321 119.300 0.011 0.000 2.408 175 C HA 0.302 4.762 4.460 -0.000 0.000 0.321 175 C C -0.014 174.981 174.990 0.008 0.000 1.245 175 C CA -0.144 58.881 59.018 0.010 0.000 1.523 175 C CB 0.465 28.211 27.740 0.010 0.000 2.178 175 C HN 0.431 nan 8.230 nan 0.000 0.488 176 T N 4.962 119.521 114.554 0.007 0.000 3.162 176 T HA 0.311 4.661 4.350 -0.000 0.000 0.264 176 T C -0.265 174.438 174.700 0.005 0.000 0.959 176 T CA 0.530 62.633 62.100 0.006 0.000 1.118 176 T CB -0.403 68.468 68.868 0.005 0.000 0.979 176 T HN 0.777 nan 8.240 nan 0.000 0.679 177 Q N 0.036 119.839 119.800 0.005 0.000 2.804 177 Q HA 0.348 4.688 4.340 -0.000 0.000 0.302 177 Q C -0.633 175.369 176.000 0.004 0.000 0.885 177 Q CA -1.073 54.733 55.803 0.004 0.000 0.759 177 Q CB 1.296 30.037 28.738 0.004 0.000 1.465 177 Q HN 0.156 nan 8.270 nan 0.000 0.432 178 V N 1.309 121.225 119.914 0.003 0.000 5.596 178 V HA -0.289 3.831 4.120 -0.000 0.000 0.137 178 V C 0.642 176.737 176.094 0.002 0.000 0.735 178 V CA 1.409 63.711 62.300 0.002 0.000 0.525 178 V CB -1.653 30.172 31.823 0.002 0.000 0.151 178 V HN 0.800 nan 8.190 nan 0.000 0.341 179 A N 3.824 126.645 122.820 0.002 0.000 2.510 179 A HA 0.410 4.730 4.320 -0.000 0.000 0.232 179 A C 0.767 178.352 177.584 0.001 0.000 1.715 179 A CA 0.565 52.603 52.037 0.002 0.000 1.612 179 A CB -0.972 18.029 19.000 0.002 0.000 0.795 179 A HN 1.884 nan 8.150 nan 0.000 0.637 180 V N -2.174 117.741 119.914 0.001 0.000 3.745 180 V HA -0.204 3.916 4.120 -0.000 0.000 0.533 180 V C 0.240 176.334 176.094 -0.001 0.000 0.682 180 V CA 0.810 63.110 62.300 0.000 0.000 2.094 180 V CB -0.583 31.240 31.823 0.000 0.000 2.496 180 V HN 0.866 nan 8.190 nan 0.000 0.518 181 Q N 4.419 124.218 119.800 -0.002 0.000 2.331 181 Q HA 0.357 4.697 4.340 -0.000 0.000 0.257 181 Q C -2.456 173.541 176.000 -0.004 0.000 0.957 181 Q CA -2.150 53.651 55.803 -0.003 0.000 0.923 181 Q CB 1.440 30.176 28.738 -0.003 0.000 1.212 181 Q HN 0.659 nan 8.270 nan 0.000 0.443 182 P HA -0.118 nan 4.420 nan 0.000 0.255 182 P C 0.344 177.640 177.300 -0.007 0.000 1.141 182 P CA 1.727 64.824 63.100 -0.005 0.000 0.767 182 P CB 0.195 31.892 31.700 -0.006 0.000 0.726 183 G N 3.414 112.210 108.800 -0.007 0.000 2.905 183 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.199 183 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.199 183 G C -0.190 174.705 174.900 -0.008 0.000 1.370 183 G CA -0.340 44.754 45.100 -0.010 0.000 0.966 183 G HN 0.500 nan 8.290 nan 0.000 0.522 184 D N 1.901 122.298 120.400 -0.006 0.000 3.465 184 D HA 0.236 4.876 4.640 -0.000 0.000 0.252 184 D C 1.256 177.553 176.300 -0.006 0.000 1.399 184 D CA 0.907 54.904 54.000 -0.005 0.000 0.946 184 D CB -0.309 40.489 40.800 -0.003 0.000 1.183 184 D HN 0.720 nan 8.370 nan 0.000 0.622 185 C N 4.559 123.854 119.300 -0.009 0.000 2.468 185 C HA -0.047 4.413 4.460 -0.000 0.000 0.389 185 C C -1.521 173.465 174.990 -0.007 0.000 1.384 185 C CA -1.310 57.702 59.018 -0.010 0.000 1.617 185 C CB -0.323 27.407 27.740 -0.016 0.000 2.572 185 C HN 0.517 nan 8.230 nan 0.000 0.592 186 P HA 0.270 nan 4.420 nan 0.000 0.269 186 P C -2.611 174.689 177.300 -0.001 0.000 1.217 186 P CA -0.579 62.524 63.100 0.005 0.000 0.783 186 P CB -0.162 31.547 31.700 0.014 0.000 0.898 187 P HA 0.201 nan 4.420 nan 0.000 0.292 187 P C -0.772 176.547 177.300 0.031 0.000 1.326 187 P CA -0.164 62.944 63.100 0.014 0.000 0.787 187 P CB 0.410 32.125 31.700 0.024 0.000 0.903 188 L N 3.646 124.876 121.223 0.012 0.000 2.397 188 L HA 0.380 4.720 4.340 -0.000 0.000 0.271 188 L C 0.713 177.685 176.870 0.169 0.000 1.148 188 L CA 0.448 55.317 54.840 0.049 0.000 0.825 188 L CB 0.128 42.091 42.059 -0.160 0.000 1.117 188 L HN 0.465 nan 8.230 nan 0.000 0.456 189 E N 2.762 123.138 120.200 0.293 0.000 2.287 189 E HA 0.179 4.528 4.350 -0.000 0.000 0.274 189 E C -1.420 175.270 176.600 0.150 0.000 0.896 189 E CA -0.894 55.661 56.400 0.258 0.000 0.788 189 E CB 2.097 31.857 29.700 0.100 0.000 1.244 189 E HN 0.351 nan 8.360 nan 0.000 0.408 190 L N 5.622 126.814 121.223 -0.051 0.000 2.559 190 L HA 0.230 4.569 4.340 -0.000 0.000 0.274 190 L C -0.836 175.831 176.870 -0.339 0.000 1.205 190 L CA 0.928 55.452 54.840 -0.526 0.000 0.907 190 L CB 0.122 41.757 42.059 -0.706 0.000 1.153 190 L HN 0.502 nan 8.230 nan 0.000 0.490 191 I N 5.797 126.092 120.570 -0.458 0.000 2.410 191 I HA 0.301 4.471 4.170 -0.000 0.000 0.286 191 I C -0.209 175.797 176.117 -0.185 0.000 1.009 191 I CA -0.591 60.526 61.300 -0.305 0.000 1.111 191 I CB 1.081 38.883 38.000 -0.331 0.000 1.262 191 I HN 0.570 nan 8.210 nan 0.000 0.443 192 N N 3.959 122.594 118.700 -0.108 0.000 2.529 192 N HA 0.347 5.087 4.740 -0.000 0.000 0.278 192 N C -0.323 175.176 175.510 -0.018 0.000 1.146 192 N CA 0.095 53.096 53.050 -0.082 0.000 0.980 192 N CB 2.110 40.541 38.487 -0.093 0.000 1.124 192 N HN 0.554 nan 8.380 nan 0.000 0.458 193 T N -1.055 113.477 114.554 -0.036 0.000 2.883 193 T HA 0.293 4.643 4.350 -0.000 0.000 0.301 193 T C -1.006 173.626 174.700 -0.114 0.000 1.158 193 T CA -0.623 61.456 62.100 -0.036 0.000 1.007 193 T CB 1.064 69.930 68.868 -0.004 0.000 1.186 193 T HN 0.030 nan 8.240 nan 0.000 0.499 194 V N 4.640 124.490 119.914 -0.107 0.000 2.427 194 V HA 0.317 4.437 4.120 -0.000 0.000 0.268 194 V C 0.574 176.554 176.094 -0.190 0.000 1.046 194 V CA -0.405 61.760 62.300 -0.225 0.000 0.970 194 V CB 0.264 31.799 31.823 -0.480 0.000 1.001 194 V HN 0.680 nan 8.190 nan 0.000 0.476 195 I N 6.308 126.719 120.570 -0.266 0.000 2.406 195 I HA 0.163 4.333 4.170 -0.000 0.000 0.293 195 I C 0.538 176.538 176.117 -0.194 0.000 1.101 195 I CA 0.255 61.342 61.300 -0.356 0.000 1.334 195 I CB -0.018 37.594 38.000 -0.646 0.000 1.421 195 I HN 0.649 nan 8.210 nan 0.000 0.513 196 Q N 4.555 124.270 119.800 -0.142 0.000 2.215 196 Q HA 0.209 4.549 4.340 -0.000 0.000 0.256 196 Q C -0.163 175.785 176.000 -0.087 0.000 0.972 196 Q CA -0.851 54.878 55.803 -0.122 0.000 0.889 196 Q CB 2.045 30.628 28.738 -0.259 0.000 1.281 196 Q HN 0.512 nan 8.270 nan 0.000 0.456 197 D N 0.136 120.491 120.400 -0.075 0.000 2.487 197 D HA 0.013 4.653 4.640 -0.000 0.000 0.243 197 D C 0.485 176.745 176.300 -0.066 0.000 1.154 197 D CA 1.447 55.419 54.000 -0.046 0.000 0.876 197 D CB 0.435 41.194 40.800 -0.068 0.000 1.161 197 D HN 0.805 nan 8.370 nan 0.000 0.478 198 G N 3.656 112.454 108.800 -0.004 0.000 2.157 198 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.239 198 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.239 198 G C 0.135 175.056 174.900 0.036 0.000 0.982 198 G CA 0.139 45.240 45.100 0.001 0.000 0.650 198 G HN 0.626 nan 8.290 nan 0.000 0.527 199 D N 0.328 120.777 120.400 0.081 0.000 2.398 199 D HA 0.501 5.141 4.640 -0.000 0.000 0.247 199 D C 1.084 177.493 176.300 0.181 0.000 1.227 199 D CA 0.059 54.119 54.000 0.100 0.000 0.980 199 D CB 0.335 41.166 40.800 0.051 0.000 1.106 199 D HN 0.036 nan 8.370 nan 0.000 0.493 200 M N 1.124 120.809 119.600 0.142 0.000 2.238 200 M HA 0.216 4.696 4.480 -0.000 0.000 0.350 200 M C 0.280 176.655 176.300 0.125 0.000 1.138 200 M CA -0.871 54.489 55.300 0.100 0.000 1.040 200 M CB 1.178 33.819 32.600 0.069 0.000 1.639 200 M HN 0.178 nan 8.290 nan 0.000 0.451 201 V N -0.398 119.507 119.914 -0.016 0.000 3.781 201 V HA 0.440 4.560 4.120 -0.000 0.000 0.271 201 V C 0.166 176.270 176.094 0.018 0.000 0.951 201 V CA -0.717 61.539 62.300 -0.073 0.000 0.896 201 V CB 0.285 31.955 31.823 -0.255 0.000 1.224 201 V HN 0.756 nan 8.190 nan 0.000 0.403 202 D N 0.141 120.564 120.400 0.038 0.000 2.308 202 D HA 0.356 4.996 4.640 -0.000 0.000 0.251 202 D C 0.844 177.105 176.300 -0.064 0.000 1.127 202 D CA 0.482 54.500 54.000 0.031 0.000 0.876 202 D CB 1.532 42.350 40.800 0.030 0.000 1.176 202 D HN 0.905 nan 8.370 nan 0.000 0.446 203 T N 0.108 114.598 114.554 -0.107 0.000 3.044 203 T HA 0.405 4.755 4.350 -0.000 0.000 0.260 203 T C 1.215 175.863 174.700 -0.087 0.000 1.019 203 T CA 0.276 62.218 62.100 -0.264 0.000 0.921 203 T CB 0.387 68.662 68.868 -0.989 0.000 1.053 203 T HN 0.581 nan 8.240 nan 0.000 0.533 204 G N 0.829 109.590 108.800 -0.065 0.000 2.205 204 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.180 204 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.180 204 G C 0.193 175.009 174.900 -0.140 0.000 1.004 204 G CA -0.298 44.721 45.100 -0.134 0.000 0.670 204 G HN 0.506 nan 8.290 nan 0.000 0.496 205 F N 1.731 121.806 119.950 0.208 0.000 2.668 205 F HA 0.472 4.999 4.527 -0.000 0.000 0.301 205 F C 1.550 177.513 175.800 0.272 0.000 1.106 205 F CA 0.508 58.665 58.000 0.261 0.000 1.289 205 F CB 1.009 40.197 39.000 0.314 0.000 1.006 205 F HN 0.698 nan 8.300 nan 0.000 0.535 206 G N 1.101 110.085 108.800 0.307 0.000 2.757 206 G HA2 0.090 4.050 3.960 -0.000 0.000 0.638 206 G HA3 0.090 4.050 3.960 -0.000 0.000 0.638 206 G C -0.895 174.134 174.900 0.215 0.000 1.344 206 G CA -0.708 44.532 45.100 0.234 0.000 0.855 206 G HN 0.509 nan 8.290 nan 0.000 0.537 207 A N 0.515 123.456 122.820 0.201 0.000 2.260 207 A HA 0.962 5.282 4.320 -0.000 0.000 0.308 207 A C 0.494 178.221 177.584 0.239 0.000 1.254 207 A CA 0.965 53.105 52.037 0.173 0.000 0.874 207 A CB 0.188 19.281 19.000 0.155 0.000 1.153 207 A HN 2.281 nan 8.150 nan 0.000 0.527 208 M N 0.425 120.058 119.600 0.056 0.000 3.740 208 M HA 0.479 4.959 4.480 -0.000 0.000 0.402 208 M C -2.196 174.023 176.300 -0.135 0.000 1.729 208 M CA -0.763 54.596 55.300 0.100 0.000 0.897 208 M CB 1.114 33.786 32.600 0.119 0.000 2.621 208 M HN 0.396 nan 8.290 nan 0.000 0.501 209 D N 0.475 120.853 120.400 -0.037 0.000 2.462 209 D HA 0.520 5.160 4.640 -0.000 0.000 0.245 209 D C -0.588 175.706 176.300 -0.009 0.000 1.122 209 D CA -0.387 53.577 54.000 -0.061 0.000 0.864 209 D CB 0.721 41.586 40.800 0.108 0.000 1.098 209 D HN 0.574 nan 8.370 nan 0.000 0.541 210 F N 0.973 120.979 119.950 0.094 0.000 2.335 210 F HA -0.075 4.452 4.527 -0.000 0.000 0.296 210 F C 2.383 178.210 175.800 0.045 0.000 1.091 210 F CA 0.381 58.419 58.000 0.063 0.000 1.399 210 F CB 0.267 39.305 39.000 0.064 0.000 1.067 210 F HN 0.288 nan 8.300 nan 0.000 0.520 211 T N -0.947 113.744 114.554 0.229 0.000 2.849 211 T HA -0.184 4.166 4.350 -0.000 0.000 0.270 211 T C 1.817 176.577 174.700 0.100 0.000 1.066 211 T CA 1.992 64.173 62.100 0.134 0.000 1.130 211 T CB -0.462 68.457 68.868 0.086 0.000 0.864 211 T HN 0.410 nan 8.240 nan 0.000 0.481 212 T N -1.875 112.740 114.554 0.101 0.000 3.003 212 T HA 0.314 4.664 4.350 -0.000 0.000 0.261 212 T C 1.443 176.190 174.700 0.077 0.000 1.003 212 T CA -0.361 61.785 62.100 0.076 0.000 0.917 212 T CB 0.068 68.977 68.868 0.069 0.000 1.084 212 T HN 0.097 nan 8.240 nan 0.000 0.522 213 L N 0.675 121.961 121.223 0.105 0.000 2.477 213 L HA 0.398 4.738 4.340 -0.000 0.000 0.220 213 L C 0.546 177.461 176.870 0.075 0.000 1.106 213 L CA 0.927 55.822 54.840 0.091 0.000 0.851 213 L CB -0.580 41.551 42.059 0.120 0.000 0.994 213 L HN 0.467 nan 8.230 nan 0.000 0.462 214 Q N -0.818 119.037 119.800 0.092 0.000 2.401 214 Q HA 0.399 4.739 4.340 -0.000 0.000 0.260 214 Q C 0.552 176.570 176.000 0.030 0.000 1.034 214 Q CA -0.119 55.711 55.803 0.045 0.000 0.737 214 Q CB 1.949 30.716 28.738 0.048 0.000 1.227 214 Q HN 0.082 nan 8.270 nan 0.000 0.488 215 A N 2.607 125.431 122.820 0.006 0.000 2.072 215 A HA -0.126 4.194 4.320 -0.000 0.000 0.216 215 A C 1.718 179.294 177.584 -0.014 0.000 1.156 215 A CA 0.723 52.761 52.037 0.002 0.000 0.701 215 A CB -0.135 18.862 19.000 -0.004 0.000 0.816 215 A HN 0.735 nan 8.150 nan 0.000 0.458 216 N N 0.568 119.247 118.700 -0.036 0.000 2.184 216 N HA -0.254 4.486 4.740 -0.000 0.000 0.190 216 N C 0.787 176.266 175.510 -0.051 0.000 1.011 216 N CA 1.772 54.783 53.050 -0.065 0.000 0.867 216 N CB -0.303 38.118 38.487 -0.110 0.000 0.993 216 N HN 0.512 nan 8.380 nan 0.000 0.433 217 K N -0.723 119.664 120.400 -0.021 0.000 3.088 217 K HA -0.199 4.121 4.320 -0.000 0.000 0.273 217 K C -1.195 175.434 176.600 0.048 0.000 1.111 217 K CA 0.978 57.276 56.287 0.018 0.000 0.803 217 K CB -1.673 30.841 32.500 0.024 0.000 1.226 217 K HN 0.418 nan 8.250 nan 0.000 0.485 218 S N -1.495 114.173 115.700 -0.053 0.000 3.255 218 S HA 0.091 4.560 4.470 -0.000 0.000 0.125 218 S C -0.313 174.094 174.600 -0.322 0.000 0.855 218 S CA -0.633 57.453 58.200 -0.189 0.000 0.833 218 S CB -0.045 62.888 63.200 -0.445 0.000 1.449 218 S HN 0.319 nan 8.310 nan 0.000 0.640 219 E N 0.788 120.800 120.200 -0.314 0.000 2.562 219 E HA 0.306 4.656 4.350 -0.000 0.000 0.214 219 E C 0.305 176.543 176.600 -0.604 0.000 0.979 219 E CA 0.172 56.274 56.400 -0.497 0.000 1.002 219 E CB 1.597 30.993 29.700 -0.507 0.000 1.048 219 E HN 0.728 nan 8.360 nan 0.000 0.488 220 V N -2.115 117.569 119.914 -0.384 0.000 3.048 220 V HA 0.429 4.549 4.120 -0.000 0.000 0.303 220 V C -3.093 173.065 176.094 0.107 0.000 1.214 220 V CA -3.071 59.081 62.300 -0.247 0.000 0.984 220 V CB 1.728 33.197 31.823 -0.590 0.000 1.054 220 V HN -0.240 nan 8.190 nan 0.000 0.430 221 P HA 0.014 nan 4.420 nan 0.000 0.267 221 P C 1.015 178.489 177.300 0.290 0.000 1.175 221 P CA 0.168 63.468 63.100 0.335 0.000 0.763 221 P CB 0.374 32.320 31.700 0.410 0.000 0.795 222 L N 3.317 124.636 121.223 0.160 0.000 2.082 222 L HA -0.311 4.028 4.340 -0.000 0.000 0.223 222 L C 1.905 178.961 176.870 0.309 0.000 1.086 222 L CA 2.644 57.532 54.840 0.079 0.000 0.793 222 L CB -1.497 40.564 42.059 0.004 0.000 0.896 222 L HN 0.547 nan 8.230 nan 0.000 0.441 223 D N -1.061 119.642 120.400 0.506 0.000 2.149 223 D HA -0.236 4.404 4.640 -0.000 0.000 0.198 223 D C 1.839 178.325 176.300 0.310 0.000 0.990 223 D CA 2.206 56.451 54.000 0.408 0.000 0.839 223 D CB -0.567 40.442 40.800 0.348 0.000 0.948 223 D HN 0.610 nan 8.370 nan 0.000 0.460 224 I N -0.976 119.793 120.570 0.332 0.000 3.081 224 I HA 0.064 4.234 4.170 -0.000 0.000 0.274 224 I C 1.865 178.235 176.117 0.421 0.000 1.178 224 I CA 0.008 61.537 61.300 0.381 0.000 1.460 224 I CB -0.614 37.683 38.000 0.496 0.000 1.137 224 I HN 0.091 nan 8.210 nan 0.000 0.443 225 C N 1.346 120.783 119.300 0.228 0.000 2.403 225 C HA -0.115 4.345 4.460 -0.000 0.000 0.282 225 C C 2.584 177.714 174.990 0.233 0.000 1.297 225 C CA 1.321 60.435 59.018 0.161 0.000 1.785 225 C CB -2.371 25.431 27.740 0.105 0.000 1.963 225 C HN 0.722 nan 8.230 nan 0.000 0.507 226 T N -2.586 112.087 114.554 0.199 0.000 3.054 226 T HA 0.274 4.624 4.350 -0.000 0.000 0.255 226 T C 0.560 175.343 174.700 0.138 0.000 1.035 226 T CA 0.287 62.470 62.100 0.138 0.000 0.941 226 T CB 0.013 68.931 68.868 0.084 0.000 1.026 226 T HN 0.540 nan 8.240 nan 0.000 0.533 227 S N 1.105 116.921 115.700 0.194 0.000 2.721 227 S HA 0.817 5.286 4.470 -0.000 0.000 0.296 227 S C -0.934 173.681 174.600 0.026 0.000 1.093 227 S CA -0.852 57.417 58.200 0.116 0.000 0.959 227 S CB 0.605 63.876 63.200 0.117 0.000 1.301 227 S HN 0.229 nan 8.310 nan 0.000 0.550 228 I N 0.394 120.922 120.570 -0.070 0.000 2.498 228 I HA 0.391 4.561 4.170 -0.000 0.000 0.290 228 I C -0.965 175.058 176.117 -0.156 0.000 1.032 228 I CA -0.515 60.658 61.300 -0.212 0.000 1.073 228 I CB 1.131 38.934 38.000 -0.328 0.000 1.251 228 I HN 0.485 nan 8.210 nan 0.000 0.426 229 C N 5.427 124.602 119.300 -0.209 0.000 2.251 229 C HA 0.510 4.970 4.460 -0.000 0.000 0.323 229 C C 0.232 175.239 174.990 0.028 0.000 1.241 229 C CA -0.583 58.398 59.018 -0.062 0.000 1.601 229 C CB -0.384 27.307 27.740 -0.081 0.000 2.251 229 C HN 0.660 nan 8.230 nan 0.000 0.488 230 K N 2.985 123.461 120.400 0.127 0.000 2.221 230 K HA 0.444 4.764 4.320 -0.000 0.000 0.258 230 K C -1.399 175.390 176.600 0.315 0.000 0.944 230 K CA -0.497 55.868 56.287 0.131 0.000 0.823 230 K CB 1.930 34.398 32.500 -0.053 0.000 1.113 230 K HN 0.614 nan 8.250 nan 0.000 0.431 231 Y N 3.998 124.323 120.300 0.042 0.000 2.341 231 Y HA 0.333 4.883 4.550 -0.000 0.000 0.338 231 Y C -2.572 173.235 175.900 -0.155 0.000 0.965 231 Y CA -2.784 55.331 58.100 0.024 0.000 1.108 231 Y CB 1.384 39.828 38.460 -0.027 0.000 1.180 231 Y HN 0.452 nan 8.280 nan 0.000 0.458 232 P HA -0.076 nan 4.420 nan 0.000 0.261 232 P C -0.665 175.978 177.300 -1.094 0.000 1.173 232 P CA 0.571 63.126 63.100 -0.909 0.000 0.760 232 P CB 0.480 31.583 31.700 -0.995 0.000 0.783 233 D N 2.949 122.971 120.400 -0.629 0.000 2.558 233 D HA 0.045 4.685 4.640 -0.000 0.000 0.221 233 D C 0.826 176.899 176.300 -0.379 0.000 1.143 233 D CA -0.105 53.632 54.000 -0.438 0.000 1.010 233 D CB -0.507 40.145 40.800 -0.247 0.000 1.068 233 D HN 0.361 nan 8.370 nan 0.000 0.511 234 Y N 1.643 121.757 120.300 -0.310 0.000 1.993 234 Y HA -0.336 4.214 4.550 -0.000 0.000 0.267 234 Y C 2.424 178.211 175.900 -0.187 0.000 1.155 234 Y CA 0.243 58.152 58.100 -0.318 0.000 1.105 234 Y CB -0.160 38.105 38.460 -0.325 0.000 0.960 234 Y HN 0.290 nan 8.280 nan 0.000 0.486 235 I N 0.542 121.133 120.570 0.034 0.000 2.191 235 I HA -0.433 3.737 4.170 -0.000 0.000 0.248 235 I C 2.249 178.361 176.117 -0.008 0.000 1.061 235 I CA 2.015 63.326 61.300 0.018 0.000 1.329 235 I CB -1.137 36.871 38.000 0.014 0.000 1.024 235 I HN 0.361 nan 8.210 nan 0.000 0.423 236 K N -0.022 120.351 120.400 -0.045 0.000 2.128 236 K HA 0.018 4.337 4.320 -0.000 0.000 0.202 236 K C 2.285 178.862 176.600 -0.038 0.000 1.050 236 K CA 0.490 56.749 56.287 -0.045 0.000 0.966 236 K CB 0.118 32.574 32.500 -0.073 0.000 0.759 236 K HN 0.165 nan 8.250 nan 0.000 0.454 237 M N 0.521 120.083 119.600 -0.062 0.000 2.108 237 M HA -0.172 4.308 4.480 -0.000 0.000 0.261 237 M C 2.065 178.357 176.300 -0.014 0.000 1.066 237 M CA 1.333 56.601 55.300 -0.053 0.000 1.107 237 M CB -0.110 32.434 32.600 -0.093 0.000 1.356 237 M HN -0.024 nan 8.290 nan 0.000 0.406 238 V N -0.721 119.185 119.914 -0.013 0.000 2.548 238 V HA -0.174 3.946 4.120 -0.000 0.000 0.249 238 V C 2.143 178.268 176.094 0.051 0.000 1.055 238 V CA 1.729 64.044 62.300 0.026 0.000 1.065 238 V CB -0.427 31.407 31.823 0.019 0.000 0.681 238 V HN 0.405 nan 8.190 nan 0.000 0.462 239 S N -0.617 115.104 115.700 0.035 0.000 2.522 239 S HA -0.046 4.424 4.470 -0.000 0.000 0.227 239 S C 0.909 175.536 174.600 0.045 0.000 0.986 239 S CA 0.124 58.348 58.200 0.040 0.000 0.929 239 S CB -0.314 62.900 63.200 0.022 0.000 0.769 239 S HN 0.755 nan 8.310 nan 0.000 0.529 240 E N 3.462 123.691 120.200 0.048 0.000 2.493 240 E HA -0.009 4.341 4.350 -0.000 0.000 0.255 240 E C -1.124 175.531 176.600 0.092 0.000 0.999 240 E CA -1.128 55.310 56.400 0.063 0.000 0.934 240 E CB 0.494 30.228 29.700 0.058 0.000 0.940 240 E HN 0.070 nan 8.360 nan 0.000 0.473 241 P HA -0.226 nan 4.420 nan 0.000 0.210 241 P C 0.662 177.948 177.300 -0.022 0.000 1.189 241 P CA 1.525 64.610 63.100 -0.025 0.000 0.920 241 P CB -0.263 31.361 31.700 -0.128 0.000 0.782 242 Y N 0.136 120.460 120.300 0.039 0.000 2.651 242 Y HA 0.089 4.638 4.550 -0.000 0.000 0.293 242 Y C 1.884 177.931 175.900 0.246 0.000 1.151 242 Y CA 0.979 59.146 58.100 0.111 0.000 1.362 242 Y CB -1.401 37.105 38.460 0.076 0.000 0.973 242 Y HN 0.125 nan 8.280 nan 0.000 0.561 243 G N 0.733 109.722 108.800 0.314 0.000 2.422 243 G HA2 -0.373 3.587 3.960 -0.000 0.000 0.301 243 G HA3 -0.373 3.587 3.960 -0.000 0.000 0.301 243 G C 0.556 175.619 174.900 0.271 0.000 0.981 243 G CA 0.819 46.083 45.100 0.273 0.000 0.994 243 G HN 0.404 nan 8.290 nan 0.000 0.514 244 D N -0.232 120.314 120.400 0.244 0.000 2.234 244 D HA 0.050 4.690 4.640 -0.000 0.000 0.205 244 D C 2.529 178.844 176.300 0.024 0.000 0.962 244 D CA 1.155 55.276 54.000 0.201 0.000 0.855 244 D CB 0.067 40.983 40.800 0.193 0.000 0.951 244 D HN 0.424 nan 8.370 nan 0.000 0.500 245 S N 0.113 115.815 115.700 0.004 0.000 2.404 245 S HA -0.059 4.411 4.470 -0.000 0.000 0.216 245 S C 1.025 175.519 174.600 -0.176 0.000 1.039 245 S CA 0.873 59.034 58.200 -0.064 0.000 1.062 245 S CB -0.337 62.835 63.200 -0.047 0.000 1.046 245 S HN 0.365 nan 8.310 nan 0.000 0.415 246 L N -1.746 119.378 121.223 -0.165 0.000 2.393 246 L HA 0.691 5.031 4.340 -0.000 0.000 0.260 246 L C -0.273 176.553 176.870 -0.074 0.000 1.002 246 L CA -0.989 53.696 54.840 -0.259 0.000 0.818 246 L CB 1.551 43.538 42.059 -0.119 0.000 1.369 246 L HN 0.316 nan 8.230 nan 0.000 0.412 247 F N -0.275 119.788 119.950 0.188 0.000 2.784 247 F HA 0.529 5.056 4.527 -0.000 0.000 0.316 247 F C -0.200 175.768 175.800 0.279 0.000 1.026 247 F CA -0.886 57.240 58.000 0.210 0.000 1.188 247 F CB -0.066 39.045 39.000 0.184 0.000 0.999 247 F HN 0.322 nan 8.300 nan 0.000 0.605 248 F N 2.403 122.676 119.950 0.539 0.000 2.556 248 F HA 0.650 5.177 4.527 -0.000 0.000 0.314 248 F C -1.427 174.497 175.800 0.207 0.000 1.106 248 F CA -2.276 55.892 58.000 0.281 0.000 0.911 248 F CB 1.767 40.911 39.000 0.240 0.000 1.190 248 F HN 0.111 nan 8.300 nan 0.000 0.448 249 Y N 5.719 125.296 120.300 -1.204 0.000 2.457 249 Y HA 0.630 5.180 4.550 -0.000 0.000 0.322 249 Y C -2.693 172.675 175.900 -0.886 0.000 1.218 249 Y CA -1.962 55.581 58.100 -0.929 0.000 1.116 249 Y CB 0.545 38.729 38.460 -0.460 0.000 1.335 249 Y HN 0.527 nan 8.280 nan 0.000 0.452 250 L N 2.954 123.695 121.223 -0.803 0.000 2.464 250 L HA 0.835 5.175 4.340 -0.000 0.000 0.266 250 L C -0.602 176.109 176.870 -0.264 0.000 0.965 250 L CA -1.712 52.783 54.840 -0.575 0.000 0.833 250 L CB 1.951 43.684 42.059 -0.543 0.000 1.296 250 L HN 0.911 nan 8.230 nan 0.000 0.405 251 R N 0.929 121.340 120.500 -0.148 0.000 2.902 251 R HA 0.995 5.334 4.340 -0.000 0.000 0.258 251 R C -0.805 175.493 176.300 -0.003 0.000 1.071 251 R CA -1.061 55.044 56.100 0.007 0.000 1.024 251 R CB 2.047 32.408 30.300 0.103 0.000 1.184 251 R HN 0.660 nan 8.270 nan 0.000 0.492 252 R N 0.569 121.105 120.500 0.060 0.000 3.270 252 R HA 0.102 4.442 4.340 -0.000 0.000 0.299 252 R C -1.987 174.364 176.300 0.085 0.000 1.188 252 R CA -0.173 55.956 56.100 0.047 0.000 1.090 252 R CB 0.987 31.295 30.300 0.012 0.000 1.329 252 R HN 0.977 nan 8.270 nan 0.000 0.381 253 E N 3.356 123.612 120.200 0.094 0.000 2.317 253 E HA 0.509 4.859 4.350 -0.000 0.000 0.270 253 E C -1.488 175.155 176.600 0.072 0.000 0.885 253 E CA -1.111 55.347 56.400 0.096 0.000 0.760 253 E CB 2.602 32.381 29.700 0.131 0.000 1.227 253 E HN 0.507 nan 8.360 nan 0.000 0.434 254 Q N 2.813 122.652 119.800 0.065 0.000 2.327 254 Q HA 0.552 4.892 4.340 -0.000 0.000 0.265 254 Q C -1.431 174.610 176.000 0.068 0.000 0.993 254 Q CA -0.950 54.892 55.803 0.064 0.000 0.885 254 Q CB 2.184 30.959 28.738 0.063 0.000 1.379 254 Q HN 0.622 nan 8.270 nan 0.000 0.408 255 M N 3.490 123.137 119.600 0.078 0.000 2.682 255 M HA 0.769 5.249 4.480 -0.000 0.000 0.272 255 M C -2.148 174.249 176.300 0.162 0.000 1.232 255 M CA -0.569 54.776 55.300 0.075 0.000 0.849 255 M CB 2.419 35.021 32.600 0.003 0.000 1.695 255 M HN 1.001 nan 8.290 nan 0.000 0.481 256 F N 0.456 120.377 119.950 -0.049 0.000 2.858 256 F HA 0.667 5.194 4.527 -0.000 0.000 0.319 256 F C -1.537 174.212 175.800 -0.084 0.000 1.166 256 F CA -1.049 56.915 58.000 -0.059 0.000 0.899 256 F CB 0.377 39.343 39.000 -0.058 0.000 1.332 256 F HN 0.378 nan 8.300 nan 0.000 0.461 257 V N 1.761 121.743 119.914 0.113 0.000 2.397 257 V HA 0.435 4.555 4.120 -0.000 0.000 0.262 257 V C 0.945 176.898 176.094 -0.236 0.000 1.047 257 V CA -0.073 62.170 62.300 -0.095 0.000 1.003 257 V CB 0.425 32.238 31.823 -0.017 0.000 1.037 257 V HN 1.054 nan 8.190 nan 0.000 0.480 258 R N 3.339 123.571 120.500 -0.447 0.000 2.080 258 R HA 0.226 4.566 4.340 -0.000 0.000 0.222 258 R C 0.503 176.473 176.300 -0.551 0.000 1.107 258 R CA 1.301 57.111 56.100 -0.484 0.000 0.980 258 R CB -0.117 29.914 30.300 -0.448 0.000 0.879 258 R HN 0.908 nan 8.270 nan 0.000 0.439 259 H N -2.561 116.283 119.070 -0.376 0.000 2.960 259 H HA 0.560 5.116 4.556 -0.000 0.000 0.338 259 H C -1.626 173.336 175.328 -0.611 0.000 1.261 259 H CA -0.851 54.892 56.048 -0.509 0.000 1.136 259 H CB 1.675 30.961 29.762 -0.793 0.000 1.875 259 H HN -0.103 nan 8.280 nan 0.000 0.550 260 L N 1.802 122.795 121.223 -0.384 0.000 2.404 260 L HA 0.392 4.732 4.340 -0.000 0.000 0.272 260 L C -1.256 175.592 176.870 -0.036 0.000 0.980 260 L CA -0.007 54.654 54.840 -0.297 0.000 0.836 260 L CB 1.108 43.103 42.059 -0.107 0.000 1.238 260 L HN 0.421 nan 8.230 nan 0.000 0.408 261 F N 0.946 120.705 119.950 -0.319 0.000 2.575 261 F HA 0.470 4.997 4.527 -0.000 0.000 0.330 261 F C 0.228 175.987 175.800 -0.069 0.000 1.056 261 F CA -1.050 56.745 58.000 -0.342 0.000 0.964 261 F CB 2.291 40.693 39.000 -0.996 0.000 1.258 261 F HN 0.459 nan 8.300 nan 0.000 0.484 262 N N 1.229 120.092 118.700 0.271 0.000 2.407 262 N HA 0.207 4.947 4.740 -0.000 0.000 0.277 262 N C -0.970 174.674 175.510 0.223 0.000 0.995 262 N CA -0.860 52.299 53.050 0.181 0.000 0.903 262 N CB 0.865 39.384 38.487 0.053 0.000 1.218 262 N HN 0.390 nan 8.380 nan 0.000 0.487 263 R N 1.863 122.496 120.500 0.222 0.000 2.484 263 R HA 0.130 4.470 4.340 -0.000 0.000 0.293 263 R C -0.059 176.222 176.300 -0.031 0.000 1.023 263 R CA -0.051 56.077 56.100 0.046 0.000 1.037 263 R CB 0.317 30.599 30.300 -0.029 0.000 0.951 263 R HN 0.546 nan 8.270 nan 0.000 0.418 264 A N 1.739 124.520 122.820 -0.064 0.000 2.287 264 A HA 0.672 4.992 4.320 -0.000 0.000 0.273 264 A C 0.737 178.275 177.584 -0.076 0.000 1.091 264 A CA 0.511 52.507 52.037 -0.069 0.000 0.817 264 A CB 0.499 19.447 19.000 -0.087 0.000 1.069 264 A HN 0.857 nan 8.150 nan 0.000 0.492 265 G N -0.916 107.845 108.800 -0.064 0.000 2.549 265 G HA2 0.326 4.286 3.960 -0.000 0.000 0.404 265 G HA3 0.326 4.286 3.960 -0.000 0.000 0.404 265 G C 0.069 174.938 174.900 -0.051 0.000 1.292 265 G CA 0.196 45.261 45.100 -0.059 0.000 0.935 265 G HN 2.248 nan 8.290 nan 0.000 0.512 266 T N -1.471 113.056 114.554 -0.045 0.000 2.884 266 T HA 0.537 4.887 4.350 -0.000 0.000 0.298 266 T C 0.778 175.457 174.700 -0.034 0.000 0.998 266 T CA 0.097 62.175 62.100 -0.036 0.000 1.124 266 T CB 1.184 70.033 68.868 -0.031 0.000 0.931 266 T HN 1.654 nan 8.240 nan 0.000 0.531 267 V N 4.378 124.274 119.914 -0.029 0.000 2.557 267 V HA 0.282 4.402 4.120 -0.000 0.000 0.301 267 V C 1.672 177.754 176.094 -0.020 0.000 1.026 267 V CA 0.748 63.033 62.300 -0.025 0.000 1.137 267 V CB 0.089 31.901 31.823 -0.019 0.000 0.917 267 V HN 1.197 nan 8.190 nan 0.000 0.484 268 G N 3.974 112.762 108.800 -0.020 0.000 2.486 268 G HA2 0.111 4.071 3.960 -0.000 0.000 0.210 268 G HA3 0.111 4.071 3.960 -0.000 0.000 0.210 268 G C 0.390 175.285 174.900 -0.009 0.000 1.168 268 G CA 0.002 45.092 45.100 -0.016 0.000 0.820 268 G HN 0.653 nan 8.290 nan 0.000 0.544 269 E N -0.199 119.997 120.200 -0.006 0.000 2.256 269 E HA 0.446 4.796 4.350 -0.000 0.000 0.267 269 E C -1.450 175.157 176.600 0.010 0.000 0.892 269 E CA -0.660 55.742 56.400 0.003 0.000 0.775 269 E CB 1.756 31.459 29.700 0.004 0.000 1.207 269 E HN 0.084 nan 8.360 nan 0.000 0.420 270 N N 0.201 118.915 118.700 0.023 0.000 2.399 270 N HA 0.241 4.981 4.740 -0.000 0.000 0.295 270 N C -1.225 174.323 175.510 0.063 0.000 1.048 270 N CA -0.511 52.562 53.050 0.038 0.000 0.886 270 N CB 1.590 40.105 38.487 0.047 0.000 1.185 270 N HN 0.092 nan 8.380 nan 0.000 0.487 271 V N 3.909 123.867 119.914 0.073 0.000 2.452 271 V HA 0.064 4.184 4.120 -0.000 0.000 0.286 271 V C -1.864 174.368 176.094 0.232 0.000 0.995 271 V CA -0.802 61.573 62.300 0.125 0.000 1.116 271 V CB -0.394 31.476 31.823 0.078 0.000 0.954 271 V HN 0.636 nan 8.190 nan 0.000 0.473 272 P HA 0.083 nan 4.420 nan 0.000 0.265 272 P C 0.057 177.427 177.300 0.116 0.000 1.193 272 P CA -0.193 62.981 63.100 0.123 0.000 0.765 272 P CB 0.375 32.123 31.700 0.078 0.000 0.823 273 D N 0.900 121.284 120.400 -0.028 0.000 2.344 273 D HA -0.075 4.565 4.640 -0.000 0.000 0.242 273 D C 0.260 176.317 176.300 -0.405 0.000 1.159 273 D CA 0.335 54.117 54.000 -0.363 0.000 0.859 273 D CB -0.553 40.114 40.800 -0.222 0.000 0.925 273 D HN 0.351 nan 8.370 nan 0.000 0.510 274 D N -0.025 120.249 120.400 -0.211 0.000 2.417 274 D HA -0.016 4.624 4.640 -0.000 0.000 0.207 274 D C 1.641 177.892 176.300 -0.081 0.000 1.075 274 D CA -0.119 53.798 54.000 -0.138 0.000 0.851 274 D CB -0.187 40.579 40.800 -0.056 0.000 0.976 274 D HN 0.277 nan 8.370 nan 0.000 0.505 275 L N -0.374 120.846 121.223 -0.005 0.000 2.592 275 L HA 0.207 4.547 4.340 -0.000 0.000 0.227 275 L C 0.347 177.396 176.870 0.298 0.000 1.127 275 L CA -0.021 54.915 54.840 0.160 0.000 0.884 275 L CB -0.586 41.621 42.059 0.246 0.000 1.065 275 L HN 0.089 nan 8.230 nan 0.000 0.457 276 Y N -2.552 117.766 120.300 0.031 0.000 2.989 276 Y HA 0.695 5.245 4.550 -0.000 0.000 0.301 276 Y C -1.033 174.884 175.900 0.028 0.000 1.694 276 Y CA -1.809 56.312 58.100 0.034 0.000 1.088 276 Y CB 0.923 39.411 38.460 0.045 0.000 2.191 276 Y HN -0.309 nan 8.280 nan 0.000 0.409 277 I N 1.212 121.909 120.570 0.213 0.000 2.865 277 I HA 0.345 4.515 4.170 -0.000 0.000 0.302 277 I C -0.845 175.421 176.117 0.248 0.000 1.140 277 I CA -1.608 59.729 61.300 0.062 0.000 1.021 277 I CB 2.056 40.094 38.000 0.063 0.000 1.233 277 I HN 0.413 nan 8.210 nan 0.000 0.427 278 K N 2.069 122.544 120.400 0.125 0.000 2.508 278 K HA 0.146 4.466 4.320 -0.000 0.000 0.273 278 K C 0.326 176.994 176.600 0.114 0.000 0.964 278 K CA 0.180 56.556 56.287 0.147 0.000 0.948 278 K CB 0.438 32.978 32.500 0.067 0.000 0.917 278 K HN 0.923 nan 8.250 nan 0.000 0.512 279 G N -0.436 108.411 108.800 0.078 0.000 3.099 279 G HA2 0.462 4.422 3.960 -0.000 0.000 0.151 279 G HA3 0.462 4.422 3.960 -0.000 0.000 0.151 279 G C -0.943 173.960 174.900 0.005 0.000 1.265 279 G CA -0.209 44.913 45.100 0.036 0.000 0.981 279 G HN 0.589 nan 8.290 nan 0.000 0.601 280 S N -1.614 114.072 115.700 -0.024 0.000 2.605 280 S HA 0.561 5.031 4.470 -0.000 0.000 0.279 280 S C 0.503 175.074 174.600 -0.049 0.000 1.166 280 S CA 0.628 58.815 58.200 -0.022 0.000 0.975 280 S CB 0.999 64.195 63.200 -0.006 0.000 1.111 280 S HN 2.610 nan 8.310 nan 0.000 0.465 281 G N 4.530 113.300 108.800 -0.050 0.000 2.596 281 G HA2 -0.403 3.557 3.960 -0.000 0.000 0.304 281 G HA3 -0.403 3.557 3.960 -0.000 0.000 0.304 281 G C 1.256 176.089 174.900 -0.112 0.000 1.189 281 G CA 1.525 46.589 45.100 -0.061 0.000 0.986 281 G HN 2.038 nan 8.290 nan 0.000 0.548 282 S N 0.047 115.673 115.700 -0.125 0.000 2.359 282 S HA -0.185 4.285 4.470 -0.000 0.000 0.222 282 S C 2.406 176.752 174.600 -0.425 0.000 1.038 282 S CA 3.543 61.613 58.200 -0.217 0.000 1.051 282 S CB -1.480 61.653 63.200 -0.112 0.000 0.944 282 S HN 2.155 nan 8.310 nan 0.000 0.433 283 T N -0.672 113.703 114.554 -0.298 0.000 3.320 283 T HA 0.444 4.794 4.350 -0.000 0.000 0.258 283 T C 0.967 175.542 174.700 -0.208 0.000 1.176 283 T CA 0.540 62.456 62.100 -0.307 0.000 1.037 283 T CB -0.332 68.522 68.868 -0.022 0.000 0.958 283 T HN 0.532 nan 8.240 nan 0.000 0.545 284 A N 0.436 123.138 122.820 -0.197 0.000 2.508 284 A HA 0.461 4.781 4.320 -0.000 0.000 0.250 284 A C 0.589 178.115 177.584 -0.097 0.000 1.208 284 A CA -0.580 51.404 52.037 -0.088 0.000 0.960 284 A CB 0.260 19.226 19.000 -0.057 0.000 1.099 284 A HN 0.394 nan 8.150 nan 0.000 0.542 285 N N 0.533 119.122 118.700 -0.184 0.000 2.682 285 N HA 0.443 5.183 4.740 -0.000 0.000 0.252 285 N C -1.158 174.245 175.510 -0.179 0.000 1.081 285 N CA -0.421 52.542 53.050 -0.145 0.000 0.844 285 N CB 0.406 38.816 38.487 -0.128 0.000 1.167 285 N HN 0.095 nan 8.380 nan 0.000 0.523 286 L N 1.679 122.840 121.223 -0.104 0.000 2.678 286 L HA 0.041 4.381 4.340 -0.000 0.000 0.285 286 L C 0.815 177.702 176.870 0.028 0.000 1.233 286 L CA 0.629 55.448 54.840 -0.034 0.000 0.920 286 L CB -0.126 41.874 42.059 -0.098 0.000 1.176 286 L HN 0.525 nan 8.230 nan 0.000 0.495 287 A N 3.221 126.143 122.820 0.169 0.000 2.293 287 A HA 0.486 4.806 4.320 -0.000 0.000 0.302 287 A C 0.385 177.973 177.584 0.005 0.000 1.119 287 A CA -0.384 51.733 52.037 0.134 0.000 0.823 287 A CB 0.692 19.866 19.000 0.290 0.000 1.097 287 A HN 0.692 nan 8.150 nan 0.000 0.491 288 S N 0.712 116.388 115.700 -0.041 0.000 3.074 288 S HA -0.037 4.433 4.470 -0.000 0.000 0.359 288 S C 1.131 175.587 174.600 -0.240 0.000 1.207 288 S CA 0.704 58.839 58.200 -0.108 0.000 1.061 288 S CB -0.086 63.060 63.200 -0.089 0.000 0.769 288 S HN 1.213 nan 8.310 nan 0.000 0.512 289 S N 3.974 119.517 115.700 -0.263 0.000 2.597 289 S HA 0.201 4.670 4.470 -0.000 0.000 0.224 289 S C 0.225 174.506 174.600 -0.531 0.000 0.955 289 S CA -0.547 57.404 58.200 -0.415 0.000 0.933 289 S CB -0.581 62.532 63.200 -0.145 0.000 0.788 289 S HN 0.837 nan 8.310 nan 0.000 0.488 290 N N 2.182 120.667 118.700 -0.357 0.000 2.719 290 N HA 0.209 4.948 4.740 -0.000 0.000 0.243 290 N C -1.137 174.272 175.510 -0.169 0.000 1.104 290 N CA -0.373 52.569 53.050 -0.179 0.000 0.981 290 N CB 0.353 38.803 38.487 -0.061 0.000 1.290 290 N HN 0.358 nan 8.380 nan 0.000 0.513 291 Y N 1.590 121.953 120.300 0.105 0.000 2.385 291 Y HA 0.252 4.802 4.550 -0.000 0.000 0.346 291 Y C 0.308 176.351 175.900 0.237 0.000 1.270 291 Y CA -0.510 57.669 58.100 0.133 0.000 1.472 291 Y CB 0.301 38.797 38.460 0.060 0.000 1.354 291 Y HN 0.326 nan 8.280 nan 0.000 0.611 292 F N 0.620 120.721 119.950 0.250 0.000 2.628 292 F HA 0.795 5.321 4.527 -0.000 0.000 0.309 292 F C -3.624 172.308 175.800 0.221 0.000 1.108 292 F CA -2.693 55.432 58.000 0.210 0.000 0.971 292 F CB 2.062 41.134 39.000 0.120 0.000 1.279 292 F HN 0.159 nan 8.300 nan 0.000 0.441 293 P HA 0.414 nan 4.420 nan 0.000 0.294 293 P C -1.398 175.918 177.300 0.028 0.000 1.325 293 P CA -0.510 62.482 63.100 -0.180 0.000 0.978 293 P CB 2.466 34.129 31.700 -0.062 0.000 1.288 294 T N -0.673 113.760 114.554 -0.200 0.000 2.875 294 T HA 0.528 4.878 4.350 -0.000 0.000 0.284 294 T C -2.185 172.366 174.700 -0.250 0.000 0.995 294 T CA -2.089 59.970 62.100 -0.068 0.000 1.060 294 T CB 0.888 69.699 68.868 -0.094 0.000 0.967 294 T HN 0.300 nan 8.240 nan 0.000 0.476 295 P HA 0.429 nan 4.420 nan 0.000 0.282 295 P C -0.759 176.311 177.300 -0.382 0.000 1.287 295 P CA -0.731 62.165 63.100 -0.340 0.000 0.792 295 P CB 1.208 32.717 31.700 -0.318 0.000 1.163 296 S N -0.671 114.756 115.700 -0.455 0.000 2.609 296 S HA 0.463 4.933 4.470 -0.000 0.000 0.250 296 S C -0.106 174.356 174.600 -0.230 0.000 1.112 296 S CA -0.637 57.289 58.200 -0.457 0.000 1.102 296 S CB -0.617 62.010 63.200 -0.955 0.000 1.124 296 S HN 0.630 nan 8.310 nan 0.000 0.460 297 G N 3.375 112.132 108.800 -0.071 0.000 2.363 297 G HA2 0.299 4.259 3.960 -0.000 0.000 0.285 297 G HA3 0.299 4.259 3.960 -0.000 0.000 0.285 297 G C 0.494 175.430 174.900 0.061 0.000 1.084 297 G CA 0.190 45.304 45.100 0.024 0.000 1.216 297 G HN 0.757 nan 8.290 nan 0.000 0.429 298 S N 2.879 118.663 115.700 0.140 0.000 2.612 298 S HA 0.156 4.626 4.470 -0.000 0.000 0.253 298 S C 1.196 175.847 174.600 0.085 0.000 1.346 298 S CA -0.665 57.636 58.200 0.168 0.000 0.976 298 S CB 0.172 63.502 63.200 0.217 0.000 0.949 298 S HN 0.666 nan 8.310 nan 0.000 0.584 299 M N 2.983 122.623 119.600 0.066 0.000 2.301 299 M HA 0.011 4.491 4.480 -0.000 0.000 0.404 299 M C -0.404 175.919 176.300 0.038 0.000 1.497 299 M CA -0.167 55.157 55.300 0.041 0.000 0.867 299 M CB -0.183 32.434 32.600 0.029 0.000 2.037 299 M HN 0.483 nan 8.290 nan 0.000 0.496 300 V N 3.445 123.381 119.914 0.035 0.000 2.508 300 V HA 0.468 4.588 4.120 -0.000 0.000 0.281 300 V C 0.078 176.189 176.094 0.029 0.000 1.041 300 V CA -0.384 61.938 62.300 0.036 0.000 1.016 300 V CB 0.938 32.784 31.823 0.038 0.000 0.984 300 V HN 0.877 nan 8.190 nan 0.000 0.478 301 T N 2.773 117.345 114.554 0.029 0.000 2.876 301 T HA 0.369 4.719 4.350 -0.000 0.000 0.289 301 T C 0.977 175.692 174.700 0.024 0.000 1.014 301 T CA 0.353 62.466 62.100 0.021 0.000 0.986 301 T CB 1.978 70.855 68.868 0.016 0.000 1.021 301 T HN 0.945 nan 8.240 nan 0.000 0.458 302 S N 2.622 118.333 115.700 0.018 0.000 2.370 302 S HA -0.101 4.369 4.470 -0.000 0.000 0.226 302 S C 0.943 175.552 174.600 0.014 0.000 1.033 302 S CA 1.730 59.941 58.200 0.018 0.000 1.011 302 S CB -0.542 62.664 63.200 0.011 0.000 0.852 302 S HN 0.839 nan 8.310 nan 0.000 0.457 303 D N 0.742 121.147 120.400 0.009 0.000 2.636 303 D HA 0.335 4.975 4.640 -0.000 0.000 0.256 303 D C 0.500 176.802 176.300 0.003 0.000 1.280 303 D CA 0.658 54.661 54.000 0.004 0.000 0.910 303 D CB -0.012 40.788 40.800 0.001 0.000 1.045 303 D HN 0.373 nan 8.370 nan 0.000 0.472 304 A N -0.374 122.451 122.820 0.008 0.000 2.654 304 A HA -0.001 4.319 4.320 -0.000 0.000 0.203 304 A C 0.414 178.002 177.584 0.006 0.000 1.306 304 A CA -0.443 51.596 52.037 0.004 0.000 1.041 304 A CB 0.331 19.339 19.000 0.012 0.000 1.217 304 A HN -0.003 nan 8.150 nan 0.000 0.510 305 Q N 0.463 120.276 119.800 0.022 0.000 2.304 305 Q HA 0.072 4.412 4.340 -0.000 0.000 0.301 305 Q C 0.812 176.786 176.000 -0.043 0.000 1.063 305 Q CA 0.260 56.087 55.803 0.040 0.000 0.947 305 Q CB 0.706 29.488 28.738 0.073 0.000 1.201 305 Q HN 0.413 nan 8.270 nan 0.000 0.389 306 I N 1.450 121.918 120.570 -0.169 0.000 3.462 306 I HA 0.048 4.218 4.170 -0.000 0.000 0.290 306 I C 0.652 176.448 176.117 -0.536 0.000 1.236 306 I CA 0.545 61.573 61.300 -0.453 0.000 1.418 306 I CB -0.253 37.239 38.000 -0.847 0.000 1.102 306 I HN 0.365 nan 8.210 nan 0.000 0.441 307 F N 0.550 120.564 119.950 0.106 0.000 2.461 307 F HA 0.360 4.887 4.527 -0.000 0.000 0.337 307 F C 1.520 177.303 175.800 -0.029 0.000 1.079 307 F CA -0.604 57.449 58.000 0.088 0.000 1.032 307 F CB 0.128 39.158 39.000 0.049 0.000 1.327 307 F HN -0.142 nan 8.300 nan 0.000 0.491 308 N N -0.825 117.923 118.700 0.081 0.000 2.955 308 N HA -0.247 4.493 4.740 -0.000 0.000 0.230 308 N C -0.408 175.019 175.510 -0.138 0.000 0.891 308 N CA 1.096 54.115 53.050 -0.053 0.000 1.002 308 N CB -0.787 37.693 38.487 -0.012 0.000 1.063 308 N HN 0.553 nan 8.380 nan 0.000 0.601 309 K N 0.830 121.122 120.400 -0.180 0.000 2.138 309 K HA 0.421 4.741 4.320 -0.000 0.000 0.263 309 K C -2.637 173.593 176.600 -0.616 0.000 0.965 309 K CA -1.939 54.195 56.287 -0.254 0.000 0.868 309 K CB 1.633 34.068 32.500 -0.108 0.000 1.083 309 K HN -0.115 nan 8.250 nan 0.000 0.443 310 P HA 0.167 nan 4.420 nan 0.000 0.286 310 P C -1.540 175.090 177.300 -1.117 0.000 1.261 310 P CA -0.249 62.218 63.100 -1.056 0.000 0.821 310 P CB 0.516 31.645 31.700 -0.951 0.000 1.013 311 Y N 0.431 120.187 120.300 -0.906 0.000 2.331 311 Y HA 0.370 4.920 4.550 -0.000 0.000 0.334 311 Y C -0.187 175.177 175.900 -0.892 0.000 0.960 311 Y CA -0.826 56.772 58.100 -0.837 0.000 1.130 311 Y CB 1.434 39.428 38.460 -0.776 0.000 1.164 311 Y HN 0.324 nan 8.280 nan 0.000 0.458 312 W N 5.067 126.181 121.300 -0.310 0.000 2.316 312 W HA 0.453 5.113 4.660 -0.000 0.000 0.308 312 W C -0.025 176.287 176.519 -0.346 0.000 1.106 312 W CA -0.712 56.465 57.345 -0.280 0.000 1.262 312 W CB 1.039 30.406 29.460 -0.154 0.000 1.233 312 W HN 0.538 nan 8.180 nan 0.000 0.447 313 L N 4.447 125.624 121.223 -0.078 0.000 2.688 313 L HA -0.029 4.311 4.340 -0.000 0.000 0.234 313 L C 2.247 179.053 176.870 -0.106 0.000 1.192 313 L CA 0.057 54.790 54.840 -0.178 0.000 0.984 313 L CB -0.659 41.258 42.059 -0.236 0.000 1.232 313 L HN 0.616 nan 8.230 nan 0.000 0.465 314 Q N 0.647 120.427 119.800 -0.032 0.000 2.118 314 Q HA -0.200 4.140 4.340 -0.000 0.000 0.211 314 Q C 0.993 176.971 176.000 -0.037 0.000 0.998 314 Q CA 1.352 57.140 55.803 -0.026 0.000 0.872 314 Q CB -0.149 28.579 28.738 -0.017 0.000 0.925 314 Q HN 0.452 nan 8.270 nan 0.000 0.414 315 R N -0.445 120.038 120.500 -0.028 0.000 2.919 315 R HA 0.762 5.102 4.340 -0.000 0.000 0.260 315 R C -1.672 174.626 176.300 -0.002 0.000 1.067 315 R CA 0.014 56.104 56.100 -0.017 0.000 1.003 315 R CB 2.377 32.675 30.300 -0.002 0.000 1.192 315 R HN 0.304 nan 8.270 nan 0.000 0.488 316 A N 1.105 123.937 122.820 0.020 0.000 2.518 316 A HA 0.162 4.482 4.320 -0.000 0.000 0.295 316 A C -0.419 177.214 177.584 0.081 0.000 1.052 316 A CA -0.796 51.291 52.037 0.083 0.000 0.824 316 A CB 1.444 20.511 19.000 0.112 0.000 1.325 316 A HN 0.782 nan 8.150 nan 0.000 0.394 317 Q N 1.297 121.152 119.800 0.091 0.000 2.522 317 Q HA 0.113 4.453 4.340 -0.000 0.000 0.216 317 Q C 0.793 176.822 176.000 0.048 0.000 0.986 317 Q CA 1.544 57.382 55.803 0.057 0.000 0.901 317 Q CB -0.405 28.379 28.738 0.077 0.000 0.954 317 Q HN 1.018 nan 8.270 nan 0.000 0.502 318 G N -1.265 107.604 108.800 0.115 0.000 2.451 318 G HA2 0.333 4.293 3.960 -0.000 0.000 0.303 318 G HA3 0.333 4.293 3.960 -0.000 0.000 0.303 318 G C -0.681 174.306 174.900 0.146 0.000 1.166 318 G CA -0.542 44.664 45.100 0.178 0.000 0.884 318 G HN 0.234 nan 8.290 nan 0.000 0.514 319 H N 0.054 119.249 119.070 0.208 0.000 2.276 319 H HA -0.044 4.512 4.556 -0.000 0.000 0.301 319 H C 1.723 177.212 175.328 0.267 0.000 1.073 319 H CA 1.361 57.548 56.048 0.232 0.000 1.311 319 H CB 0.056 29.973 29.762 0.257 0.000 1.379 319 H HN 0.421 nan 8.280 nan 0.000 0.494 320 N N 0.758 119.744 118.700 0.477 0.000 2.395 320 N HA -0.117 4.623 4.740 -0.000 0.000 0.246 320 N C 0.437 176.085 175.510 0.230 0.000 1.246 320 N CA 0.429 53.702 53.050 0.372 0.000 0.879 320 N CB 0.606 39.371 38.487 0.462 0.000 1.098 320 N HN 0.304 nan 8.380 nan 0.000 0.444 321 N N 0.274 118.995 118.700 0.034 0.000 2.168 321 N HA 0.230 4.970 4.740 -0.000 0.000 0.216 321 N C -0.148 175.152 175.510 -0.350 0.000 1.259 321 N CA 0.464 53.450 53.050 -0.107 0.000 0.902 321 N CB 0.622 39.054 38.487 -0.092 0.000 1.079 321 N HN 0.651 nan 8.380 nan 0.000 0.507 322 G N 0.331 108.925 108.800 -0.344 0.000 4.398 322 G HA2 0.099 4.059 3.960 -0.000 0.000 0.224 322 G HA3 0.099 4.059 3.960 -0.000 0.000 0.224 322 G C -0.871 173.915 174.900 -0.190 0.000 0.991 322 G CA -0.452 44.394 45.100 -0.423 0.000 1.262 322 G HN 0.051 nan 8.290 nan 0.000 0.704 323 I N 2.001 122.405 120.570 -0.276 0.000 2.227 323 I HA 0.186 4.356 4.170 -0.000 0.000 0.297 323 I C 0.996 176.857 176.117 -0.428 0.000 1.173 323 I CA -1.269 59.690 61.300 -0.569 0.000 1.356 323 I CB -0.618 36.560 38.000 -1.370 0.000 1.485 323 I HN 0.167 nan 8.210 nan 0.000 0.604 324 C N 4.798 124.049 119.300 -0.082 0.000 3.946 324 C HA -0.073 4.387 4.460 -0.000 0.000 0.538 324 C C 0.944 175.999 174.990 0.108 0.000 1.047 324 C CA -1.036 58.008 59.018 0.044 0.000 1.063 324 C CB -2.614 25.179 27.740 0.089 0.000 1.372 324 C HN 0.581 nan 8.230 nan 0.000 0.632 325 W N 0.541 121.896 121.300 0.092 0.000 2.385 325 W HA 0.341 5.001 4.660 -0.000 0.000 0.336 325 W C 1.358 177.839 176.519 -0.064 0.000 1.351 325 W CA 0.850 58.203 57.345 0.012 0.000 1.295 325 W CB 0.146 29.593 29.460 -0.021 0.000 1.239 325 W HN 0.864 nan 8.180 nan 0.000 0.565 326 G N 2.370 111.289 108.800 0.197 0.000 2.176 326 G HA2 -0.392 3.568 3.960 -0.000 0.000 0.253 326 G HA3 -0.392 3.568 3.960 -0.000 0.000 0.253 326 G C 0.355 175.284 174.900 0.049 0.000 0.979 326 G CA -0.016 45.111 45.100 0.044 0.000 0.641 326 G HN 0.775 nan 8.290 nan 0.000 0.530 327 N N -0.630 118.122 118.700 0.087 0.000 2.747 327 N HA -0.161 4.579 4.740 -0.000 0.000 0.249 327 N C 0.163 175.617 175.510 -0.092 0.000 1.107 327 N CA 1.979 55.037 53.050 0.014 0.000 0.707 327 N CB -1.199 37.304 38.487 0.026 0.000 1.054 327 N HN 0.881 nan 8.380 nan 0.000 0.555 328 Q N -0.112 119.616 119.800 -0.120 0.000 2.399 328 Q HA 0.798 5.137 4.340 -0.000 0.000 0.276 328 Q C -0.475 175.358 176.000 -0.279 0.000 1.098 328 Q CA -0.620 55.021 55.803 -0.270 0.000 0.827 328 Q CB 2.769 31.272 28.738 -0.391 0.000 1.386 328 Q HN 0.215 nan 8.270 nan 0.000 0.443 329 L N 2.056 123.048 121.223 -0.386 0.000 2.543 329 L HA 0.469 4.809 4.340 -0.000 0.000 0.265 329 L C -1.794 175.017 176.870 -0.098 0.000 0.945 329 L CA -0.343 54.392 54.840 -0.175 0.000 0.869 329 L CB 1.473 43.506 42.059 -0.044 0.000 1.294 329 L HN 0.695 nan 8.230 nan 0.000 0.405 330 F N 4.532 124.479 119.950 -0.005 0.000 2.361 330 F HA 0.463 4.990 4.527 -0.000 0.000 0.364 330 F C 0.019 175.863 175.800 0.074 0.000 1.117 330 F CA -1.044 56.932 58.000 -0.039 0.000 1.071 330 F CB 1.906 40.795 39.000 -0.185 0.000 1.188 330 F HN 0.042 nan 8.300 nan 0.000 0.464 331 V N 2.988 123.123 119.914 0.367 0.000 2.349 331 V HA 0.261 4.381 4.120 -0.000 0.000 0.284 331 V C -0.333 175.973 176.094 0.352 0.000 1.014 331 V CA -0.641 61.866 62.300 0.346 0.000 0.826 331 V CB 1.805 33.840 31.823 0.353 0.000 1.009 331 V HN 0.738 nan 8.190 nan 0.000 0.431 332 T N 3.474 118.179 114.554 0.250 0.000 2.749 332 T HA 0.733 5.083 4.350 -0.000 0.000 0.287 332 T C -0.381 174.500 174.700 0.301 0.000 0.970 332 T CA -0.613 61.628 62.100 0.235 0.000 0.980 332 T CB 1.728 70.692 68.868 0.160 0.000 0.924 332 T HN 0.265 nan 8.240 nan 0.000 0.456 333 V N 3.370 123.475 119.914 0.320 0.000 2.789 333 V HA 0.645 4.765 4.120 -0.000 0.000 0.311 333 V C -0.695 175.521 176.094 0.203 0.000 1.073 333 V CA -0.763 61.727 62.300 0.317 0.000 0.921 333 V CB 2.375 34.407 31.823 0.349 0.000 1.009 333 V HN 0.782 nan 8.190 nan 0.000 0.426 334 V N 3.132 123.146 119.914 0.166 0.000 2.569 334 V HA 0.566 4.686 4.120 -0.000 0.000 0.301 334 V C -1.468 174.660 176.094 0.057 0.000 1.044 334 V CA -0.361 61.957 62.300 0.030 0.000 0.874 334 V CB 2.112 33.888 31.823 -0.079 0.000 1.002 334 V HN 0.978 nan 8.190 nan 0.000 0.424 335 D N 2.275 122.659 120.400 -0.025 0.000 2.386 335 D HA 0.388 5.028 4.640 -0.000 0.000 0.247 335 D C 0.764 177.062 176.300 -0.002 0.000 1.336 335 D CA 0.253 54.215 54.000 -0.062 0.000 0.976 335 D CB 2.063 42.673 40.800 -0.317 0.000 1.257 335 D HN 0.609 nan 8.370 nan 0.000 0.570 336 T N -1.250 113.334 114.554 0.050 0.000 3.040 336 T HA -0.049 4.301 4.350 -0.000 0.000 0.252 336 T C 1.765 176.500 174.700 0.058 0.000 1.064 336 T CA 0.988 63.123 62.100 0.058 0.000 1.110 336 T CB -0.260 68.648 68.868 0.067 0.000 0.921 336 T HN 0.291 nan 8.240 nan 0.000 0.480 337 T N 1.636 116.227 114.554 0.062 0.000 2.822 337 T HA -0.097 4.252 4.350 -0.000 0.000 0.270 337 T C 1.070 175.792 174.700 0.036 0.000 1.064 337 T CA 0.730 62.863 62.100 0.055 0.000 1.131 337 T CB -0.595 68.317 68.868 0.073 0.000 0.858 337 T HN 0.550 nan 8.240 nan 0.000 0.483 338 R N 1.659 122.172 120.500 0.022 0.000 2.664 338 R HA 0.505 4.845 4.340 -0.000 0.000 0.281 338 R C 0.692 177.065 176.300 0.122 0.000 1.383 338 R CA 0.059 56.179 56.100 0.034 0.000 1.563 338 R CB 0.656 30.945 30.300 -0.018 0.000 1.131 338 R HN 0.408 nan 8.270 nan 0.000 0.599 339 S N -1.007 114.761 115.700 0.114 0.000 2.632 339 S HA 0.002 4.472 4.470 -0.000 0.000 0.237 339 S C 0.610 175.096 174.600 -0.190 0.000 1.037 339 S CA -0.402 57.864 58.200 0.110 0.000 1.009 339 S CB 0.404 63.644 63.200 0.066 0.000 0.974 339 S HN 0.287 nan 8.310 nan 0.000 0.544 340 T N 5.021 119.520 114.554 -0.092 0.000 2.666 340 T HA 0.069 4.419 4.350 -0.000 0.000 0.265 340 T C -0.298 174.203 174.700 -0.333 0.000 1.009 340 T CA 0.264 62.271 62.100 -0.155 0.000 1.238 340 T CB -0.862 67.979 68.868 -0.045 0.000 0.969 340 T HN 0.651 nan 8.240 nan 0.000 0.515 341 N N 3.842 122.276 118.700 -0.444 0.000 2.422 341 N HA 0.382 5.122 4.740 -0.000 0.000 0.264 341 N C 0.202 175.620 175.510 -0.153 0.000 1.063 341 N CA -0.741 52.075 53.050 -0.389 0.000 0.959 341 N CB 0.518 38.746 38.487 -0.432 0.000 1.087 341 N HN 0.636 nan 8.380 nan 0.000 0.483 342 M N -0.169 119.387 119.600 -0.074 0.000 2.249 342 M HA 0.481 4.961 4.480 -0.000 0.000 0.351 342 M C -0.663 175.636 176.300 -0.002 0.000 1.180 342 M CA -0.576 54.711 55.300 -0.021 0.000 1.127 342 M CB 1.148 33.750 32.600 0.004 0.000 1.546 342 M HN 0.507 nan 8.290 nan 0.000 0.461 343 S N 4.553 120.266 115.700 0.021 0.000 2.537 343 S HA 0.862 5.332 4.470 -0.000 0.000 0.301 343 S C -0.547 174.099 174.600 0.076 0.000 1.092 343 S CA -1.015 57.216 58.200 0.053 0.000 1.048 343 S CB 1.730 64.961 63.200 0.052 0.000 1.053 343 S HN 0.876 nan 8.310 nan 0.000 0.501 344 L N -0.407 120.893 121.223 0.129 0.000 2.409 344 L HA 0.964 5.304 4.340 -0.000 0.000 0.262 344 L C -0.809 176.213 176.870 0.254 0.000 0.992 344 L CA -0.996 53.934 54.840 0.149 0.000 0.817 344 L CB 1.610 43.730 42.059 0.102 0.000 1.350 344 L HN 1.022 nan 8.230 nan 0.000 0.411 345 C N 1.456 120.891 119.300 0.226 0.000 2.608 345 C HA 0.993 5.453 4.460 -0.000 0.000 0.325 345 C C 0.086 175.249 174.990 0.288 0.000 1.147 345 C CA 0.135 59.326 59.018 0.288 0.000 1.359 345 C CB 0.629 28.512 27.740 0.238 0.000 1.912 345 C HN 1.333 nan 8.230 nan 0.000 0.466 346 A N 3.132 126.123 122.820 0.285 0.000 2.356 346 A HA 0.974 5.293 4.320 -0.000 0.000 0.323 346 A C 0.146 177.786 177.584 0.093 0.000 1.119 346 A CA 0.055 52.197 52.037 0.175 0.000 0.790 346 A CB 1.193 20.265 19.000 0.121 0.000 1.273 346 A HN 2.319 nan 8.150 nan 0.000 0.452 347 A N 0.335 123.120 122.820 -0.059 0.000 2.264 347 A HA 0.600 4.919 4.320 -0.000 0.000 0.304 347 A C 0.642 178.092 177.584 -0.223 0.000 1.100 347 A CA -0.245 51.558 52.037 -0.390 0.000 0.839 347 A CB 0.271 18.936 19.000 -0.559 0.000 1.121 347 A HN 1.275 nan 8.150 nan 0.000 0.496 348 I N -0.014 120.378 120.570 -0.296 0.000 3.228 348 I HA 0.103 4.273 4.170 -0.000 0.000 0.279 348 I C 0.284 176.315 176.117 -0.143 0.000 1.221 348 I CA 1.287 62.489 61.300 -0.164 0.000 1.458 348 I CB 0.137 38.053 38.000 -0.139 0.000 1.105 348 I HN 0.635 nan 8.210 nan 0.000 0.445 349 S N -1.985 113.599 115.700 -0.195 0.000 2.560 349 S HA 0.152 4.622 4.470 -0.000 0.000 0.283 349 S C 0.426 174.940 174.600 -0.143 0.000 1.141 349 S CA -0.161 57.960 58.200 -0.132 0.000 0.902 349 S CB 0.396 63.537 63.200 -0.098 0.000 1.104 349 S HN 0.187 nan 8.310 nan 0.000 0.454 350 T N -0.332 114.170 114.554 -0.086 0.000 3.163 350 T HA 0.042 4.392 4.350 -0.000 0.000 0.260 350 T C 1.363 176.042 174.700 -0.035 0.000 1.156 350 T CA 1.101 63.170 62.100 -0.053 0.000 1.072 350 T CB -0.608 68.245 68.868 -0.026 0.000 0.937 350 T HN 0.485 nan 8.240 nan 0.000 0.528 351 S N 1.329 117.002 115.700 -0.045 0.000 2.355 351 S HA 0.018 4.488 4.470 -0.000 0.000 0.210 351 S C 0.688 175.276 174.600 -0.019 0.000 1.035 351 S CA 0.377 58.560 58.200 -0.028 0.000 1.011 351 S CB -0.512 62.668 63.200 -0.032 0.000 1.000 351 S HN 0.593 nan 8.310 nan 0.000 0.423 352 E N 1.241 121.423 120.200 -0.029 0.000 3.014 352 E HA -0.110 4.240 4.350 -0.000 0.000 0.293 352 E C 0.604 177.216 176.600 0.020 0.000 0.949 352 E CA 1.160 57.556 56.400 -0.008 0.000 0.993 352 E CB 0.137 29.824 29.700 -0.021 0.000 1.019 352 E HN 0.590 nan 8.360 nan 0.000 0.480 353 T N -2.036 112.537 114.554 0.032 0.000 3.231 353 T HA 0.261 4.611 4.350 -0.000 0.000 0.292 353 T C -0.232 174.504 174.700 0.059 0.000 1.001 353 T CA -0.115 62.011 62.100 0.043 0.000 0.920 353 T CB -0.149 68.738 68.868 0.032 0.000 1.140 353 T HN 0.420 nan 8.240 nan 0.000 0.525 354 T N -0.820 113.776 114.554 0.071 0.000 2.952 354 T HA 0.552 4.902 4.350 -0.000 0.000 0.305 354 T C -0.835 173.944 174.700 0.133 0.000 1.064 354 T CA -0.903 61.258 62.100 0.102 0.000 1.008 354 T CB 1.541 70.461 68.868 0.087 0.000 1.078 354 T HN 0.204 nan 8.240 nan 0.000 0.459 355 Y N 2.429 122.778 120.300 0.081 0.000 2.683 355 Y HA 0.380 4.930 4.550 -0.000 0.000 0.340 355 Y C 0.156 176.130 175.900 0.123 0.000 1.245 355 Y CA 0.481 58.645 58.100 0.106 0.000 1.485 355 Y CB 0.517 38.984 38.460 0.012 0.000 1.328 355 Y HN 0.650 nan 8.280 nan 0.000 0.603 356 K N 5.125 125.275 120.400 -0.417 0.000 2.615 356 K HA 0.077 4.397 4.320 -0.000 0.000 0.249 356 K C -0.148 176.385 176.600 -0.112 0.000 0.977 356 K CA -0.732 55.509 56.287 -0.076 0.000 0.833 356 K CB 1.544 34.025 32.500 -0.032 0.000 1.208 356 K HN 0.655 nan 8.250 nan 0.000 0.443 357 N N 0.734 119.529 118.700 0.159 0.000 2.247 357 N HA -0.142 4.598 4.740 -0.000 0.000 0.189 357 N C 0.933 176.509 175.510 0.110 0.000 1.009 357 N CA 1.755 54.934 53.050 0.215 0.000 0.872 357 N CB 0.186 38.803 38.487 0.217 0.000 0.980 357 N HN 0.634 nan 8.380 nan 0.000 0.436 358 T N -3.804 110.781 114.554 0.051 0.000 3.248 358 T HA 0.233 4.583 4.350 -0.000 0.000 0.271 358 T C 0.681 175.360 174.700 -0.034 0.000 1.005 358 T CA -0.514 61.598 62.100 0.019 0.000 0.902 358 T CB -0.116 68.757 68.868 0.009 0.000 1.102 358 T HN 0.002 nan 8.240 nan 0.000 0.548 359 N N 0.468 119.135 118.700 -0.056 0.000 2.236 359 N HA 0.260 4.999 4.740 -0.000 0.000 0.196 359 N C -0.962 174.196 175.510 -0.586 0.000 1.114 359 N CA -0.497 52.397 53.050 -0.260 0.000 0.859 359 N CB 0.172 38.492 38.487 -0.277 0.000 0.982 359 N HN 0.398 nan 8.380 nan 0.000 0.493 360 F N 0.239 120.127 119.950 -0.104 0.000 2.556 360 F HA 0.458 4.985 4.527 -0.000 0.000 0.314 360 F C 0.025 175.803 175.800 -0.036 0.000 1.106 360 F CA -0.968 56.999 58.000 -0.055 0.000 0.911 360 F CB 1.847 40.809 39.000 -0.063 0.000 1.190 360 F HN -0.374 nan 8.300 nan 0.000 0.448 361 K N 2.714 123.186 120.400 0.121 0.000 2.281 361 K HA 0.246 4.566 4.320 -0.000 0.000 0.272 361 K C -0.667 175.882 176.600 -0.085 0.000 1.048 361 K CA -0.605 55.668 56.287 -0.023 0.000 0.898 361 K CB 1.005 33.507 32.500 0.003 0.000 1.128 361 K HN 0.531 nan 8.250 nan 0.000 0.460 362 E N 3.023 123.128 120.200 -0.158 0.000 2.259 362 E HA 0.137 4.487 4.350 -0.000 0.000 0.281 362 E C -0.820 175.640 176.600 -0.233 0.000 1.037 362 E CA 0.015 56.365 56.400 -0.083 0.000 0.854 362 E CB 0.696 30.386 29.700 -0.016 0.000 1.051 362 E HN 0.326 nan 8.360 nan 0.000 0.409 363 Y N 0.976 121.327 120.300 0.086 0.000 2.536 363 Y HA 0.427 4.977 4.550 -0.000 0.000 0.347 363 Y C 0.110 176.041 175.900 0.051 0.000 1.000 363 Y CA -0.866 57.288 58.100 0.091 0.000 1.051 363 Y CB 1.501 40.016 38.460 0.092 0.000 1.259 363 Y HN 0.263 nan 8.280 nan 0.000 0.468 364 L N 4.252 125.589 121.223 0.190 0.000 2.305 364 L HA 0.597 4.937 4.340 -0.000 0.000 0.284 364 L C -0.473 176.320 176.870 -0.129 0.000 1.013 364 L CA -0.695 54.139 54.840 -0.011 0.000 0.819 364 L CB 0.841 42.837 42.059 -0.105 0.000 1.227 364 L HN 0.587 nan 8.230 nan 0.000 0.417 365 R N 1.701 122.162 120.500 -0.065 0.000 2.854 365 R HA 0.530 4.870 4.340 -0.000 0.000 0.271 365 R C -1.181 175.117 176.300 -0.004 0.000 0.996 365 R CA -0.838 55.234 56.100 -0.045 0.000 0.961 365 R CB 2.420 32.724 30.300 0.007 0.000 1.182 365 R HN 0.635 nan 8.270 nan 0.000 0.479 366 H N -0.697 118.318 119.070 -0.092 0.000 2.759 366 H HA 0.467 5.023 4.556 -0.000 0.000 0.354 366 H C -0.772 174.537 175.328 -0.031 0.000 1.074 366 H CA -0.671 55.334 56.048 -0.072 0.000 1.226 366 H CB 1.995 31.695 29.762 -0.103 0.000 1.648 366 H HN 0.789 nan 8.280 nan 0.000 0.529 367 G N 2.800 111.692 108.800 0.154 0.000 2.434 367 G HA2 0.423 4.383 3.960 -0.000 0.000 0.330 367 G HA3 0.423 4.383 3.960 -0.000 0.000 0.330 367 G C -1.043 173.746 174.900 -0.185 0.000 1.155 367 G CA -0.516 44.569 45.100 -0.025 0.000 0.917 367 G HN 0.627 nan 8.290 nan 0.000 0.493 368 E N -0.072 120.076 120.200 -0.087 0.000 2.304 368 E HA 0.182 4.532 4.350 -0.000 0.000 0.277 368 E C -1.403 175.196 176.600 -0.002 0.000 0.898 368 E CA -0.481 55.865 56.400 -0.090 0.000 0.764 368 E CB 2.977 32.675 29.700 -0.003 0.000 1.216 368 E HN 0.634 nan 8.360 nan 0.000 0.419 369 E N 3.365 123.483 120.200 -0.136 0.000 2.145 369 E HA 0.322 4.671 4.350 -0.000 0.000 0.262 369 E C -1.456 174.997 176.600 -0.245 0.000 0.883 369 E CA -0.328 56.018 56.400 -0.090 0.000 0.748 369 E CB 0.807 30.462 29.700 -0.075 0.000 1.140 369 E HN 0.374 nan 8.360 nan 0.000 0.417 370 Y N 2.279 122.550 120.300 -0.048 0.000 2.567 370 Y HA 0.438 4.988 4.550 -0.000 0.000 0.333 370 Y C -0.378 175.408 175.900 -0.190 0.000 1.106 370 Y CA -0.610 57.397 58.100 -0.155 0.000 1.157 370 Y CB 2.045 40.364 38.460 -0.234 0.000 1.277 370 Y HN 0.557 nan 8.280 nan 0.000 0.490 371 D N 1.354 121.735 120.400 -0.032 0.000 2.548 371 D HA 0.306 4.946 4.640 -0.000 0.000 0.214 371 D C -1.965 174.205 176.300 -0.217 0.000 1.345 371 D CA -0.234 53.695 54.000 -0.119 0.000 0.945 371 D CB 0.789 41.533 40.800 -0.092 0.000 1.499 371 D HN 0.391 nan 8.370 nan 0.000 0.579 372 L N 3.010 124.063 121.223 -0.283 0.000 2.334 372 L HA 0.611 4.951 4.340 -0.000 0.000 0.275 372 L C -0.277 176.360 176.870 -0.387 0.000 1.036 372 L CA -0.747 53.843 54.840 -0.415 0.000 0.807 372 L CB 1.686 43.526 42.059 -0.366 0.000 1.231 372 L HN 0.453 nan 8.230 nan 0.000 0.438 373 Q N 3.334 122.709 119.800 -0.708 0.000 2.315 373 Q HA 0.588 4.928 4.340 -0.000 0.000 0.273 373 Q C -1.597 173.868 176.000 -0.892 0.000 1.053 373 Q CA -0.482 54.983 55.803 -0.564 0.000 0.817 373 Q CB 3.105 31.581 28.738 -0.436 0.000 1.326 373 Q HN 0.351 nan 8.270 nan 0.000 0.423 374 F N 1.084 120.668 119.950 -0.609 0.000 2.631 374 F HA 0.569 5.096 4.527 -0.000 0.000 0.308 374 F C -0.476 174.790 175.800 -0.890 0.000 1.097 374 F CA -0.969 56.574 58.000 -0.762 0.000 0.952 374 F CB 1.606 40.100 39.000 -0.843 0.000 1.307 374 F HN 0.272 nan 8.300 nan 0.000 0.450 375 I N 2.823 122.974 120.570 -0.698 0.000 2.478 375 I HA 0.392 4.562 4.170 -0.000 0.000 0.287 375 I C -1.174 174.582 176.117 -0.601 0.000 1.042 375 I CA -0.969 60.015 61.300 -0.527 0.000 1.067 375 I CB 1.471 39.140 38.000 -0.552 0.000 1.233 375 I HN 0.416 nan 8.210 nan 0.000 0.431 376 F N 3.969 123.915 119.950 -0.006 0.000 2.508 376 F HA 0.498 5.025 4.527 -0.000 0.000 0.325 376 F C 0.488 176.616 175.800 0.547 0.000 1.090 376 F CA -0.716 57.408 58.000 0.206 0.000 0.945 376 F CB 1.633 40.678 39.000 0.074 0.000 1.156 376 F HN 0.360 nan 8.300 nan 0.000 0.463 377 Q N 3.652 123.833 119.800 0.636 0.000 2.348 377 Q HA 0.456 4.796 4.340 -0.000 0.000 0.265 377 Q C -1.157 174.921 176.000 0.130 0.000 0.998 377 Q CA -1.183 54.800 55.803 0.300 0.000 0.831 377 Q CB 1.672 30.543 28.738 0.221 0.000 1.251 377 Q HN 0.741 nan 8.270 nan 0.000 0.456 378 L N 3.699 124.867 121.223 -0.092 0.000 2.483 378 L HA 0.238 4.578 4.340 -0.000 0.000 0.276 378 L C -1.175 175.473 176.870 -0.370 0.000 1.213 378 L CA 0.589 55.153 54.840 -0.460 0.000 0.843 378 L CB 0.675 42.295 42.059 -0.732 0.000 1.107 378 L HN 0.900 nan 8.230 nan 0.000 0.487 379 C N 2.917 122.002 119.300 -0.358 0.000 3.256 379 C HA 0.839 5.299 4.460 -0.000 0.000 0.361 379 C C -0.489 174.362 174.990 -0.232 0.000 1.665 379 C CA -0.922 57.948 59.018 -0.246 0.000 1.445 379 C CB 2.219 29.873 27.740 -0.143 0.000 2.144 379 C HN 0.957 nan 8.230 nan 0.000 0.448 380 K N 0.229 120.565 120.400 -0.107 0.000 2.551 380 K HA 0.842 5.162 4.320 -0.000 0.000 0.269 380 K C -2.018 174.603 176.600 0.035 0.000 0.949 380 K CA -0.477 55.784 56.287 -0.044 0.000 0.849 380 K CB 1.421 33.936 32.500 0.026 0.000 1.411 380 K HN 0.622 nan 8.250 nan 0.000 0.432 381 I N 1.685 122.281 120.570 0.044 0.000 2.531 381 I HA 0.111 4.281 4.170 -0.000 0.000 0.283 381 I C -0.349 175.795 176.117 0.045 0.000 1.083 381 I CA -0.761 60.606 61.300 0.112 0.000 1.071 381 I CB 2.296 40.455 38.000 0.265 0.000 1.210 381 I HN 0.801 nan 8.210 nan 0.000 0.450 382 T N 3.973 118.565 114.554 0.063 0.000 2.888 382 T HA 0.406 4.756 4.350 -0.000 0.000 0.301 382 T C -0.251 174.480 174.700 0.052 0.000 1.001 382 T CA -0.352 61.769 62.100 0.034 0.000 1.147 382 T CB 0.643 69.532 68.868 0.035 0.000 0.931 382 T HN 0.284 nan 8.240 nan 0.000 0.541 383 L N 4.980 126.215 121.223 0.020 0.000 2.302 383 L HA 0.331 4.671 4.340 -0.000 0.000 0.285 383 L C 1.355 178.253 176.870 0.046 0.000 1.090 383 L CA -0.104 54.764 54.840 0.046 0.000 0.866 383 L CB 0.316 42.388 42.059 0.022 0.000 1.244 383 L HN 1.076 nan 8.230 nan 0.000 0.435 384 T N -0.522 114.068 114.554 0.059 0.000 2.902 384 T HA 0.622 4.972 4.350 -0.000 0.000 0.287 384 T C 1.276 176.002 174.700 0.043 0.000 1.048 384 T CA 0.010 62.136 62.100 0.044 0.000 0.941 384 T CB 1.105 70.000 68.868 0.044 0.000 1.432 384 T HN 0.351 nan 8.240 nan 0.000 0.586 385 A N 0.519 123.358 122.820 0.031 0.000 1.854 385 A HA 0.062 4.382 4.320 -0.000 0.000 0.214 385 A C 1.948 179.550 177.584 0.031 0.000 1.192 385 A CA 1.498 53.551 52.037 0.026 0.000 0.611 385 A CB -1.211 17.799 19.000 0.016 0.000 0.832 385 A HN 0.841 nan 8.150 nan 0.000 0.442 386 D N -0.471 119.944 120.400 0.027 0.000 2.269 386 D HA -0.012 4.628 4.640 -0.000 0.000 0.208 386 D C 1.859 178.170 176.300 0.019 0.000 0.963 386 D CA 0.775 54.788 54.000 0.022 0.000 0.864 386 D CB -0.185 40.618 40.800 0.006 0.000 0.936 386 D HN 0.221 nan 8.370 nan 0.000 0.505 387 V N 0.672 120.606 119.914 0.034 0.000 2.261 387 V HA -0.195 3.924 4.120 -0.000 0.000 0.235 387 V C 2.443 178.590 176.094 0.089 0.000 1.044 387 V CA 1.331 63.660 62.300 0.049 0.000 1.007 387 V CB -0.577 31.310 31.823 0.107 0.000 0.647 387 V HN 0.118 nan 8.190 nan 0.000 0.462 388 M N 0.711 120.375 119.600 0.108 0.000 2.164 388 M HA -0.313 4.167 4.480 -0.000 0.000 0.251 388 M C 2.166 178.536 176.300 0.117 0.000 1.087 388 M CA 2.841 58.218 55.300 0.128 0.000 1.071 388 M CB -0.512 32.147 32.600 0.098 0.000 1.347 388 M HN 0.751 nan 8.290 nan 0.000 0.399 389 T N -2.456 112.149 114.554 0.085 0.000 2.821 389 T HA -0.204 4.146 4.350 -0.000 0.000 0.267 389 T C 1.511 176.295 174.700 0.140 0.000 1.046 389 T CA 1.434 63.581 62.100 0.078 0.000 1.139 389 T CB -0.848 68.047 68.868 0.045 0.000 0.871 389 T HN 0.590 nan 8.240 nan 0.000 0.454 390 Y N 2.363 122.639 120.300 -0.040 0.000 2.109 390 Y HA 0.162 4.712 4.550 -0.000 0.000 0.281 390 Y C 2.196 178.021 175.900 -0.126 0.000 1.113 390 Y CA 0.819 58.868 58.100 -0.084 0.000 1.098 390 Y CB -0.511 37.821 38.460 -0.213 0.000 0.996 390 Y HN 0.106 nan 8.280 nan 0.000 0.485 391 I N 0.301 120.897 120.570 0.044 0.000 2.561 391 I HA -0.420 3.750 4.170 -0.000 0.000 0.263 391 I C 2.365 178.361 176.117 -0.202 0.000 1.171 391 I CA 1.797 62.996 61.300 -0.167 0.000 1.430 391 I CB -0.656 37.332 38.000 -0.020 0.000 1.105 391 I HN 0.481 nan 8.210 nan 0.000 0.453 392 H N 0.731 119.711 119.070 -0.149 0.000 2.399 392 H HA 0.040 4.596 4.556 -0.000 0.000 0.300 392 H C 2.217 177.432 175.328 -0.189 0.000 1.048 392 H CA 1.318 57.274 56.048 -0.153 0.000 1.370 392 H CB 0.333 30.053 29.762 -0.070 0.000 1.428 392 H HN 0.174 nan 8.280 nan 0.000 0.534 393 S N 0.366 116.068 115.700 0.002 0.000 2.547 393 S HA -0.038 4.432 4.470 -0.000 0.000 0.235 393 S C 2.012 176.467 174.600 -0.242 0.000 0.980 393 S CA 0.722 58.895 58.200 -0.045 0.000 0.941 393 S CB 0.119 63.322 63.200 0.006 0.000 0.763 393 S HN 0.436 nan 8.310 nan 0.000 0.532 394 M N 0.670 119.983 119.600 -0.478 0.000 2.749 394 M HA 0.210 4.690 4.480 -0.000 0.000 0.240 394 M C 0.022 175.888 176.300 -0.723 0.000 1.285 394 M CA 0.848 55.607 55.300 -0.903 0.000 1.267 394 M CB 0.561 32.566 32.600 -0.992 0.000 1.184 394 M HN 0.131 nan 8.290 nan 0.000 0.526 395 N N 0.010 118.324 118.700 -0.643 0.000 2.664 395 N HA 0.094 4.834 4.740 -0.000 0.000 0.268 395 N C 0.359 175.553 175.510 -0.527 0.000 1.222 395 N CA 0.123 52.840 53.050 -0.555 0.000 0.805 395 N CB 1.034 39.170 38.487 -0.585 0.000 1.399 395 N HN 0.289 nan 8.380 nan 0.000 0.547 396 S N 1.048 116.449 115.700 -0.498 0.000 2.389 396 S HA -0.312 4.158 4.470 -0.000 0.000 0.231 396 S C 2.011 176.396 174.600 -0.358 0.000 1.052 396 S CA 2.324 60.211 58.200 -0.522 0.000 1.053 396 S CB -1.101 61.804 63.200 -0.492 0.000 0.886 396 S HN 0.739 nan 8.310 nan 0.000 0.456 397 T N 1.216 115.577 114.554 -0.321 0.000 2.778 397 T HA -0.088 4.262 4.350 -0.000 0.000 0.269 397 T C 1.737 176.231 174.700 -0.343 0.000 1.050 397 T CA 1.244 63.188 62.100 -0.260 0.000 1.137 397 T CB -0.762 67.975 68.868 -0.217 0.000 0.860 397 T HN 0.298 nan 8.240 nan 0.000 0.468 398 I N 2.085 122.343 120.570 -0.519 0.000 2.087 398 I HA -0.143 4.027 4.170 -0.000 0.000 0.240 398 I C 2.613 178.185 176.117 -0.908 0.000 1.054 398 I CA 1.186 61.949 61.300 -0.894 0.000 1.311 398 I CB -1.489 35.806 38.000 -1.175 0.000 1.024 398 I HN 0.322 nan 8.210 nan 0.000 0.402 399 L N 0.154 121.128 121.223 -0.415 0.000 1.994 399 L HA -0.210 4.130 4.340 -0.000 0.000 0.208 399 L C 2.561 179.506 176.870 0.126 0.000 1.071 399 L CA 1.450 56.361 54.840 0.117 0.000 0.745 399 L CB -0.809 41.327 42.059 0.128 0.000 0.892 399 L HN 0.291 nan 8.230 nan 0.000 0.431 400 E N 0.414 120.610 120.200 -0.006 0.000 2.021 400 E HA -0.258 4.092 4.350 -0.000 0.000 0.200 400 E C 1.782 178.406 176.600 0.039 0.000 1.015 400 E CA 1.653 58.064 56.400 0.018 0.000 0.824 400 E CB -0.490 29.191 29.700 -0.033 0.000 0.762 400 E HN 0.517 nan 8.360 nan 0.000 0.454 401 D N 0.140 120.520 120.400 -0.032 0.000 2.190 401 D HA -0.164 4.476 4.640 -0.000 0.000 0.200 401 D C 0.310 176.695 176.300 0.141 0.000 0.992 401 D CA 0.693 54.695 54.000 0.004 0.000 0.854 401 D CB -0.213 40.546 40.800 -0.069 0.000 0.936 401 D HN 0.169 nan 8.370 nan 0.000 0.462 402 W N 2.269 123.596 121.300 0.045 0.000 2.381 402 W HA 0.170 4.830 4.660 -0.000 0.000 0.321 402 W C 0.924 177.479 176.519 0.060 0.000 1.407 402 W CA -0.250 57.135 57.345 0.067 0.000 1.274 402 W CB -0.557 28.951 29.460 0.079 0.000 1.310 402 W HN -0.092 nan 8.180 nan 0.000 0.551 439 D N 3.069 123.488 120.400 0.032 0.000 2.349 439 D HA 0.110 4.750 4.640 -0.000 0.000 0.266 439 D C -1.356 174.999 176.300 0.092 0.000 1.293 439 D CA -1.599 52.439 54.000 0.063 0.000 0.926 439 D CB 1.103 41.953 40.800 0.082 0.000 1.090 439 D HN 0.110 nan 8.370 nan 0.000 0.502 440 P HA -0.124 nan 4.420 nan 0.000 0.221 440 P C 0.566 178.032 177.300 0.276 0.000 1.145 440 P CA 0.867 64.052 63.100 0.142 0.000 0.795 440 P CB 0.148 31.907 31.700 0.099 0.000 0.775 441 L N -1.545 119.855 121.223 0.295 0.000 2.984 441 L HA 0.326 4.666 4.340 -0.000 0.000 0.246 441 L C 2.017 179.104 176.870 0.361 0.000 1.268 441 L CA -0.202 54.934 54.840 0.494 0.000 1.054 441 L CB -0.189 42.169 42.059 0.500 0.000 1.393 441 L HN -0.227 nan 8.230 nan 0.000 0.532 442 K N 1.554 122.067 120.400 0.189 0.000 2.067 442 K HA -0.030 4.289 4.320 -0.000 0.000 0.203 442 K C 1.941 178.507 176.600 -0.056 0.000 1.048 442 K CA 1.068 57.393 56.287 0.063 0.000 0.954 442 K CB 0.255 32.766 32.500 0.019 0.000 0.737 442 K HN 0.067 nan 8.250 nan 0.000 0.444 443 K N 0.081 120.353 120.400 -0.213 0.000 2.555 443 K HA -0.034 4.286 4.320 -0.000 0.000 0.193 443 K C -0.143 176.018 176.600 -0.732 0.000 1.032 443 K CA 0.525 56.515 56.287 -0.495 0.000 1.004 443 K CB -0.497 31.651 32.500 -0.586 0.000 0.804 443 K HN 0.169 nan 8.250 nan 0.000 0.496 444 Y N 0.434 120.663 120.300 -0.119 0.000 2.567 444 Y HA 0.410 4.960 4.550 -0.000 0.000 0.333 444 Y C 0.246 175.823 175.900 -0.538 0.000 1.106 444 Y CA -1.085 56.809 58.100 -0.343 0.000 1.157 444 Y CB 1.760 40.006 38.460 -0.356 0.000 1.277 444 Y HN -0.276 nan 8.280 nan 0.000 0.490 445 T N 2.876 117.018 114.554 -0.687 0.000 2.847 445 T HA 0.606 4.956 4.350 -0.000 0.000 0.291 445 T C -1.144 173.072 174.700 -0.807 0.000 0.998 445 T CA -0.654 61.090 62.100 -0.593 0.000 0.967 445 T CB -0.011 68.659 68.868 -0.331 0.000 0.954 445 T HN 0.352 nan 8.240 nan 0.000 0.441 446 F N -0.095 119.843 119.950 -0.019 0.000 2.679 446 F HA 0.581 5.108 4.527 -0.000 0.000 0.341 446 F C -0.335 175.476 175.800 0.017 0.000 1.095 446 F CA -1.579 56.386 58.000 -0.059 0.000 1.004 446 F CB 0.903 39.840 39.000 -0.106 0.000 1.388 446 F HN 0.425 nan 8.300 nan 0.000 0.505 447 W N 3.494 124.799 121.300 0.008 0.000 2.605 447 W HA 0.181 4.841 4.660 -0.000 0.000 0.327 447 W C -0.492 176.100 176.519 0.121 0.000 1.332 447 W CA -0.350 56.964 57.345 -0.051 0.000 1.403 447 W CB -0.162 29.067 29.460 -0.386 0.000 1.452 447 W HN 0.403 nan 8.180 nan 0.000 0.503 448 E N 4.198 124.731 120.200 0.555 0.000 2.259 448 E HA 0.250 4.600 4.350 -0.000 0.000 0.281 448 E C -0.700 176.219 176.600 0.532 0.000 1.027 448 E CA -0.393 56.292 56.400 0.475 0.000 0.838 448 E CB 2.097 32.030 29.700 0.389 0.000 1.066 448 E HN 0.130 nan 8.360 nan 0.000 0.401 449 V N 3.876 124.016 119.914 0.376 0.000 2.483 449 V HA 0.233 4.352 4.120 -0.000 0.000 0.297 449 V C 0.196 176.437 176.094 0.246 0.000 1.027 449 V CA -1.027 61.429 62.300 0.259 0.000 0.855 449 V CB 1.711 33.599 31.823 0.108 0.000 0.995 449 V HN 0.517 nan 8.190 nan 0.000 0.424 450 N N 4.511 123.339 118.700 0.213 0.000 2.457 450 N HA 0.383 5.123 4.740 -0.000 0.000 0.250 450 N C 0.088 175.645 175.510 0.079 0.000 0.982 450 N CA -0.335 52.813 53.050 0.165 0.000 0.941 450 N CB 1.722 40.274 38.487 0.108 0.000 1.120 450 N HN 0.721 nan 8.380 nan 0.000 0.505 451 L N 3.533 124.779 121.223 0.039 0.000 2.640 451 L HA 0.125 4.465 4.340 -0.000 0.000 0.230 451 L C 1.914 178.812 176.870 0.047 0.000 1.123 451 L CA 0.019 54.876 54.840 0.028 0.000 0.900 451 L CB 0.219 42.257 42.059 -0.036 0.000 1.146 451 L HN 0.491 nan 8.230 nan 0.000 0.484 452 K N 0.729 121.098 120.400 -0.051 0.000 2.015 452 K HA -0.235 4.085 4.320 -0.000 0.000 0.216 452 K C 0.896 177.461 176.600 -0.059 0.000 1.052 452 K CA 1.651 57.843 56.287 -0.159 0.000 0.937 452 K CB -0.046 32.388 32.500 -0.111 0.000 0.719 452 K HN 0.056 nan 8.250 nan 0.000 0.446 453 E N 0.292 120.509 120.200 0.029 0.000 2.296 453 E HA 0.016 4.366 4.350 -0.000 0.000 0.196 453 E C 0.337 177.012 176.600 0.125 0.000 1.143 453 E CA 0.255 56.704 56.400 0.082 0.000 1.145 453 E CB 0.419 30.164 29.700 0.075 0.000 1.215 453 E HN 0.115 nan 8.360 nan 0.000 0.447 454 K N -0.731 119.764 120.400 0.158 0.000 2.425 454 K HA 0.160 4.480 4.320 -0.000 0.000 0.201 454 K C 0.017 176.751 176.600 0.222 0.000 1.128 454 K CA -0.137 56.244 56.287 0.157 0.000 1.000 454 K CB 0.352 32.896 32.500 0.073 0.000 0.961 454 K HN 0.073 nan 8.250 nan 0.000 0.555 455 F N 1.946 121.871 119.950 -0.042 0.000 2.563 455 F HA 0.082 4.609 4.527 -0.000 0.000 0.363 455 F C 0.921 176.913 175.800 0.320 0.000 1.123 455 F CA 0.380 58.381 58.000 0.002 0.000 1.307 455 F CB 0.698 39.446 39.000 -0.421 0.000 1.115 455 F HN -0.253 nan 8.300 nan 0.000 0.592 456 S N 1.595 117.708 115.700 0.689 0.000 2.572 456 S HA 0.623 5.093 4.470 -0.000 0.000 0.274 456 S C 0.338 175.231 174.600 0.489 0.000 1.150 456 S CA -0.166 58.448 58.200 0.689 0.000 0.944 456 S CB 1.312 64.881 63.200 0.615 0.000 1.071 456 S HN 0.785 nan 8.310 nan 0.000 0.479 457 A N 2.838 125.756 122.820 0.163 0.000 1.930 457 A HA 0.063 4.383 4.320 -0.000 0.000 0.217 457 A C 0.550 178.088 177.584 -0.077 0.000 1.175 457 A CA 1.372 53.099 52.037 -0.516 0.000 0.627 457 A CB -0.638 18.108 19.000 -0.423 0.000 0.815 457 A HN 0.885 nan 8.150 nan 0.000 0.443 458 D N 0.470 120.885 120.400 0.026 0.000 2.336 458 D HA 0.283 4.923 4.640 -0.000 0.000 0.249 458 D C 0.598 176.873 176.300 -0.042 0.000 1.213 458 D CA -0.358 53.630 54.000 -0.021 0.000 0.870 458 D CB 0.533 41.299 40.800 -0.056 0.000 1.076 458 D HN 0.323 nan 8.370 nan 0.000 0.483 459 L N 0.989 122.238 121.223 0.042 0.000 2.478 459 L HA -0.027 4.313 4.340 -0.000 0.000 0.223 459 L C 0.649 177.486 176.870 -0.055 0.000 1.140 459 L CA 0.436 55.331 54.840 0.093 0.000 0.842 459 L CB -0.354 41.819 42.059 0.191 0.000 0.953 459 L HN 0.204 nan 8.230 nan 0.000 0.452 460 D N -0.031 120.306 120.400 -0.105 0.000 2.378 460 D HA -0.132 4.508 4.640 -0.000 0.000 0.222 460 D C 1.688 177.864 176.300 -0.207 0.000 0.980 460 D CA 0.667 54.595 54.000 -0.121 0.000 0.907 460 D CB 0.086 40.826 40.800 -0.100 0.000 0.899 460 D HN 0.330 nan 8.370 nan 0.000 0.527 461 Q N -0.645 118.911 119.800 -0.406 0.000 2.171 461 Q HA 0.209 4.549 4.340 -0.000 0.000 0.218 461 Q C -0.433 175.098 176.000 -0.781 0.000 0.822 461 Q CA 0.012 55.461 55.803 -0.589 0.000 0.987 461 Q CB 0.905 29.228 28.738 -0.692 0.000 1.144 461 Q HN 0.318 nan 8.270 nan 0.000 0.494 462 F N 1.383 121.226 119.950 -0.178 0.000 2.551 462 F HA 0.311 4.838 4.527 -0.000 0.000 0.316 462 F C -1.480 174.278 175.800 -0.071 0.000 1.089 462 F CA -2.281 55.573 58.000 -0.244 0.000 0.915 462 F CB 2.002 40.539 39.000 -0.772 0.000 1.186 462 F HN -0.229 nan 8.300 nan 0.000 0.456 463 P HA -0.200 nan 4.420 nan 0.000 0.214 463 P C 1.907 179.293 177.300 0.144 0.000 1.163 463 P CA 1.485 64.658 63.100 0.120 0.000 0.883 463 P CB 0.663 32.408 31.700 0.077 0.000 0.788 464 L N -0.315 121.010 121.223 0.170 0.000 1.991 464 L HA -0.210 4.130 4.340 -0.000 0.000 0.221 464 L C 2.805 179.867 176.870 0.319 0.000 1.079 464 L CA 2.496 57.446 54.840 0.183 0.000 0.778 464 L CB -1.423 40.720 42.059 0.139 0.000 0.893 464 L HN 0.082 nan 8.230 nan 0.000 0.437 465 G N -1.254 107.793 108.800 0.412 0.000 2.421 465 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.216 465 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.216 465 G C 1.534 176.569 174.900 0.225 0.000 1.171 465 G CA 0.683 46.012 45.100 0.382 0.000 0.775 465 G HN 0.322 nan 8.290 nan 0.000 0.543 466 R N 0.447 121.030 120.500 0.138 0.000 2.159 466 R HA -0.190 4.150 4.340 -0.000 0.000 0.252 466 R C 2.624 178.963 176.300 0.064 0.000 1.144 466 R CA 2.007 58.142 56.100 0.058 0.000 0.961 466 R CB -0.280 30.042 30.300 0.037 0.000 0.877 466 R HN 0.347 nan 8.270 nan 0.000 0.444 467 K N -0.588 119.900 120.400 0.147 0.000 2.031 467 K HA -0.122 4.197 4.320 -0.000 0.000 0.205 467 K C 2.001 178.706 176.600 0.175 0.000 1.049 467 K CA 1.205 57.605 56.287 0.188 0.000 0.939 467 K CB -0.342 32.324 32.500 0.278 0.000 0.717 467 K HN 0.075 nan 8.250 nan 0.000 0.438 468 F N 2.448 122.458 119.950 0.100 0.000 2.095 468 F HA -0.222 4.305 4.527 -0.000 0.000 0.298 468 F C 1.961 177.550 175.800 -0.351 0.000 1.104 468 F CA 1.013 58.868 58.000 -0.242 0.000 1.232 468 F CB -0.619 38.318 39.000 -0.105 0.000 0.987 468 F HN -0.136 nan 8.300 nan 0.000 0.475 469 L N 0.608 121.525 121.223 -0.510 0.000 1.976 469 L HA -0.264 4.076 4.340 -0.000 0.000 0.223 469 L C 2.390 178.997 176.870 -0.438 0.000 1.081 469 L CA 1.944 56.469 54.840 -0.525 0.000 0.784 469 L CB -1.199 40.727 42.059 -0.222 0.000 0.896 469 L HN 0.285 nan 8.230 nan 0.000 0.438 470 L N -1.182 119.890 121.223 -0.252 0.000 2.651 470 L HA -0.188 4.152 4.340 -0.000 0.000 0.236 470 L C 1.935 178.661 176.870 -0.239 0.000 1.173 470 L CA 0.540 55.263 54.840 -0.195 0.000 0.843 470 L CB -0.213 41.786 42.059 -0.099 0.000 0.964 470 L HN 0.516 nan 8.230 nan 0.000 0.454 471 Q N -0.764 118.797 119.800 -0.400 0.000 2.362 471 Q HA 0.215 4.555 4.340 -0.000 0.000 0.190 471 Q C 0.696 176.393 176.000 -0.506 0.000 0.763 471 Q CA -0.313 55.216 55.803 -0.456 0.000 0.681 471 Q CB 0.126 28.448 28.738 -0.693 0.000 2.020 471 Q HN 0.132 nan 8.270 nan 0.000 0.483 472 L N 0.000 120.818 121.223 -0.676 0.000 2.949 472 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 472 L CA 0.000 54.563 54.840 -0.461 0.000 0.813 472 L CB 0.000 41.780 42.059 -0.464 0.000 0.961 472 L HN 0.000 nan 8.230 nan 0.000 0.502