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 3na0_1_B DATA FIRST_RESID 45 DATA SEQUENCE PRPFNEIPSP GDNGWLNLYH FWRETGTHKV HLHHVQNFQK YGPIYREKLG DATA SEQUENCE NVESVYVIDP EDVALLFKSE GPNPERFLIP PWVAYHQYYQ RPIGVLLKKS DATA SEQUENCE AAWKKDRVAL NQEVMAPEAT KNFLPLLDAV SRDFVSVLHR RIKKAGSGNY DATA SEQUENCE SGDISDDLFR FAFESITNVI FGERQGMLEE VVNPEAQRFI DAIYQMFHTS DATA SEQUENCE VPMLNLPPDL FRLFRTKTWK DHVAAWDVIF SKADIYTQNF YWELRQKGSV DATA SEQUENCE HHDYRGILYR LLGDSKMSFE DIKANVTEML AGGVDTTSMT LQWHLYEMAR DATA SEQUENCE NLKVQDMLRA EVLAARHQAQ GDMATMLQLV PLLKASIKET LRLHPISVTL DATA SEQUENCE QRYLVNDLVL RDYMIPAKTL VQVAIYALGR EPTFFFDPEN FDPTRWLSKD DATA SEQUENCE KNITYFRNLG FGWGVRQCLG RRIAELEMTI FLINMLENFR VEIQHLSDVG DATA SEQUENCE TTFNLILMPE KPISFTFWPF 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 45 P HA 0.000 nan 4.420 nan 0.000 0.216 45 P C 0.000 177.280 177.300 -0.033 0.000 1.155 45 P CA 0.000 63.072 63.100 -0.046 0.000 0.800 45 P CB 0.000 31.691 31.700 -0.015 0.000 0.726 46 R N 2.594 123.049 120.500 -0.075 0.000 2.641 46 R HA 0.527 -1.259 4.340 -10.211 0.000 0.269 46 R C -1.974 174.385 176.300 0.099 0.000 1.074 46 R CA -1.161 54.926 56.100 -0.021 0.000 1.133 46 R CB 0.056 30.287 30.300 -0.115 0.000 1.029 46 R HN 0.321 nan 8.270 nan 0.000 0.488 47 P HA -0.060 nan 4.420 nan 0.000 0.274 47 P C 0.185 177.606 177.300 0.202 0.000 1.231 47 P CA -0.214 62.973 63.100 0.144 0.000 0.790 47 P CB 0.485 32.247 31.700 0.104 0.000 0.951 48 F N 3.184 123.166 119.950 0.053 0.000 2.085 48 F HA -0.326 -1.926 4.527 -10.211 0.000 0.299 48 F C 2.000 177.785 175.800 -0.026 0.000 1.096 48 F CA 2.562 60.566 58.000 0.006 0.000 1.227 48 F CB -0.715 38.272 39.000 -0.022 0.000 0.983 48 F HN 0.408 nan 8.300 nan 0.000 0.482 49 N N 0.277 118.999 118.700 0.037 0.000 2.519 49 N HA -0.201 -1.588 4.740 -10.211 0.000 0.186 49 N C 1.262 176.696 175.510 -0.127 0.000 1.062 49 N CA 1.521 54.530 53.050 -0.068 0.000 0.910 49 N CB -0.660 37.858 38.487 0.051 0.000 0.958 49 N HN 0.569 nan 8.380 nan 0.000 0.445 50 E N 0.219 120.381 120.200 -0.064 0.000 2.442 50 E HA 0.211 -1.565 4.350 -10.211 0.000 0.195 50 E C 0.179 176.729 176.600 -0.083 0.000 1.030 50 E CA -0.297 56.112 56.400 0.015 0.000 0.869 50 E CB 0.310 30.107 29.700 0.162 0.000 0.857 50 E HN 0.397 nan 8.360 nan 0.000 0.505 51 I N 3.485 123.778 120.570 -0.461 0.000 2.741 51 I HA -0.034 -1.990 4.170 -10.211 0.000 0.288 51 I C -2.117 173.711 176.117 -0.483 0.000 1.192 51 I CA -1.623 59.170 61.300 -0.845 0.000 1.426 51 I CB 0.002 37.416 38.000 -0.976 0.000 1.367 51 I HN -0.220 nan 8.210 nan 0.000 0.563 52 P HA -0.039 nan 4.420 nan 0.000 0.264 52 P C -0.567 176.414 177.300 -0.531 0.000 1.179 52 P CA 0.316 63.233 63.100 -0.306 0.000 0.763 52 P CB 0.600 32.218 31.700 -0.135 0.000 0.806 53 S N 2.126 117.448 115.700 -0.630 0.000 2.542 53 S HA 0.423 -1.234 4.470 -10.211 0.000 0.276 53 S C -2.227 172.084 174.600 -0.482 0.000 1.148 53 S CA -1.087 56.753 58.200 -0.601 0.000 0.886 53 S CB 0.986 63.985 63.200 -0.336 0.000 1.109 53 S HN 0.245 nan 8.310 nan 0.000 0.458 54 P HA 0.253 nan 4.420 nan 0.000 0.234 54 P C 0.693 177.977 177.300 -0.025 0.000 1.167 54 P CA 1.063 64.131 63.100 -0.053 0.000 0.763 54 P CB -0.378 31.337 31.700 0.024 0.000 0.835 55 G N -0.235 108.522 108.800 -0.071 0.000 2.326 55 G HA2 -0.088 -2.254 3.960 -10.211 0.000 0.413 55 G HA3 -0.088 -2.254 3.960 -10.211 0.000 0.413 55 G C -0.626 174.246 174.900 -0.046 0.000 1.444 55 G CA -0.478 44.599 45.100 -0.037 0.000 1.002 55 G HN -0.105 nan 8.290 nan 0.000 0.649 56 D N -0.234 120.147 120.400 -0.032 0.000 2.340 56 D HA -0.005 -1.492 4.640 -10.211 0.000 0.220 56 D C 0.695 176.972 176.300 -0.039 0.000 1.039 56 D CA 0.236 54.217 54.000 -0.032 0.000 0.866 56 D CB 0.316 41.109 40.800 -0.012 0.000 0.913 56 D HN 0.243 nan 8.370 nan 0.000 0.523 57 N N 0.579 119.260 118.700 -0.031 0.000 2.500 57 N HA 0.089 -1.297 4.740 -10.211 0.000 0.236 57 N C 1.187 176.631 175.510 -0.109 0.000 1.022 57 N CA -0.204 52.823 53.050 -0.037 0.000 0.935 57 N CB 1.209 39.709 38.487 0.021 0.000 1.147 57 N HN -0.076 nan 8.380 nan 0.000 0.512 58 G N 1.779 110.418 108.800 -0.269 0.000 2.448 58 G HA2 -0.213 -2.380 3.960 -10.211 0.000 0.219 58 G HA3 -0.213 -2.380 3.960 -10.211 0.000 0.219 58 G C 0.936 175.548 174.900 -0.480 0.000 1.127 58 G CA 0.333 45.171 45.100 -0.437 0.000 0.766 58 G HN 0.671 nan 8.290 nan 0.000 0.552 59 W N -0.526 120.721 121.300 -0.087 0.000 2.453 59 W HA 0.268 -1.198 4.660 -10.209 0.000 0.289 59 W C 2.229 178.651 176.519 -0.162 0.000 1.215 59 W CA -0.497 56.763 57.345 -0.142 0.000 1.297 59 W CB -0.281 29.102 29.460 -0.128 0.000 1.113 59 W HN 0.129 nan 8.180 nan 0.000 0.551 60 L N 1.306 122.562 121.223 0.054 0.000 2.056 60 L HA -0.138 -1.925 4.340 -10.211 0.000 0.207 60 L C 1.881 178.730 176.870 -0.035 0.000 1.078 60 L CA 1.890 56.708 54.840 -0.037 0.000 0.749 60 L CB -1.092 40.959 42.059 -0.013 0.000 0.901 60 L HN -0.113 nan 8.230 nan 0.000 0.433 61 N N -0.339 118.360 118.700 -0.002 0.000 2.069 61 N HA -0.221 -1.607 4.740 -10.211 0.000 0.191 61 N C 1.797 177.299 175.510 -0.012 0.000 1.031 61 N CA 1.664 54.735 53.050 0.035 0.000 0.852 61 N CB -0.632 37.842 38.487 -0.021 0.000 1.018 61 N HN 0.283 nan 8.380 nan 0.000 0.423 62 L N 0.147 121.284 121.223 -0.142 0.000 2.083 62 L HA -0.118 -1.905 4.340 -10.211 0.000 0.209 62 L C 2.151 178.691 176.870 -0.550 0.000 1.083 62 L CA 1.388 56.025 54.840 -0.338 0.000 0.752 62 L CB -0.929 40.858 42.059 -0.454 0.000 0.899 62 L HN 0.174 nan 8.230 nan 0.000 0.433 63 Y N -0.451 119.576 120.300 -0.454 0.000 2.097 63 Y HA -0.320 -1.896 4.550 -10.210 0.000 0.282 63 Y C 2.741 178.538 175.900 -0.173 0.000 1.152 63 Y CA 2.285 60.174 58.100 -0.353 0.000 1.136 63 Y CB -0.454 37.805 38.460 -0.334 0.000 0.975 63 Y HN 0.346 nan 8.280 nan 0.000 0.498 64 H N -1.020 118.003 119.070 -0.079 0.000 2.353 64 H HA -0.180 -1.750 4.556 -10.211 0.000 0.300 64 H C 2.138 177.435 175.328 -0.052 0.000 1.090 64 H CA 1.635 57.625 56.048 -0.095 0.000 1.327 64 H CB -1.075 28.723 29.762 0.059 0.000 1.383 64 H HN 0.507 nan 8.280 nan 0.000 0.508 65 F N 0.720 120.626 119.950 -0.074 0.000 2.095 65 F HA -0.227 -1.826 4.527 -10.210 0.000 0.298 65 F C 1.798 177.587 175.800 -0.018 0.000 1.104 65 F CA 1.017 58.911 58.000 -0.177 0.000 1.232 65 F CB -0.611 38.129 39.000 -0.432 0.000 0.987 65 F HN 0.030 nan 8.300 nan 0.000 0.475 66 W N 1.040 122.012 121.300 -0.547 0.000 2.379 66 W HA -0.028 -1.496 4.660 -10.213 0.000 0.307 66 W C 2.883 179.151 176.519 -0.418 0.000 1.200 66 W CA 1.465 58.450 57.345 -0.601 0.000 1.297 66 W CB -1.344 27.869 29.460 -0.410 0.000 1.140 66 W HN 0.037 nan 8.180 nan 0.000 0.507 67 R N 0.611 121.015 120.500 -0.159 0.000 2.073 67 R HA -0.123 -1.909 4.340 -10.211 0.000 0.229 67 R C 1.821 178.059 176.300 -0.102 0.000 1.120 67 R CA 1.709 57.697 56.100 -0.186 0.000 0.967 67 R CB -0.167 29.910 30.300 -0.371 0.000 0.862 67 R HN 0.179 nan 8.270 nan 0.000 0.436 68 E N -1.406 118.755 120.200 -0.065 0.000 2.086 68 E HA -0.032 -1.808 4.350 -10.211 0.000 0.190 68 E C 1.259 177.853 176.600 -0.010 0.000 0.975 68 E CA 1.543 57.933 56.400 -0.017 0.000 0.813 68 E CB 0.414 30.128 29.700 0.023 0.000 0.768 68 E HN 0.302 nan 8.360 nan 0.000 0.457 69 T N -1.328 113.217 114.554 -0.014 0.000 3.058 69 T HA 0.349 -1.428 4.350 -10.211 0.000 0.247 69 T C 0.444 175.090 174.700 -0.089 0.000 0.987 69 T CA 0.270 62.373 62.100 0.004 0.000 1.062 69 T CB 1.158 70.125 68.868 0.165 0.000 1.048 69 T HN 0.347 nan 8.240 nan 0.000 0.468 70 G N 1.272 109.908 108.800 -0.274 0.000 2.675 70 G HA2 -0.126 -2.292 3.960 -10.211 0.000 0.686 70 G HA3 -0.126 -2.292 3.960 -10.211 0.000 0.686 70 G C 0.531 175.139 174.900 -0.486 0.000 1.215 70 G CA -0.196 44.691 45.100 -0.355 0.000 0.777 70 G HN 0.179 nan 8.290 nan 0.000 0.638 71 T N -0.380 113.821 114.554 -0.588 0.000 2.915 71 T HA -0.078 -1.855 4.350 -10.211 0.000 0.269 71 T C 1.574 176.189 174.700 -0.140 0.000 1.071 71 T CA 2.234 64.046 62.100 -0.481 0.000 1.132 71 T CB -0.154 68.332 68.868 -0.635 0.000 0.878 71 T HN 0.732 nan 8.240 nan 0.000 0.479 72 H N 0.432 119.557 119.070 0.091 0.000 2.524 72 H HA 0.266 -1.305 4.556 -10.212 0.000 0.280 72 H C 0.823 176.330 175.328 0.298 0.000 1.018 72 H CA 0.118 56.320 56.048 0.257 0.000 1.165 72 H CB 0.342 30.201 29.762 0.163 0.000 1.411 72 H HN 0.034 nan 8.280 nan 0.000 0.569 73 K N 0.650 121.190 120.400 0.234 0.000 2.792 73 K HA 0.099 -1.707 4.320 -10.211 0.000 0.207 73 K C 0.946 177.513 176.600 -0.054 0.000 1.103 73 K CA -0.003 56.316 56.287 0.053 0.000 1.048 73 K CB 0.966 33.446 32.500 -0.033 0.000 0.777 73 K HN 0.128 nan 8.250 nan 0.000 0.468 74 V N 2.443 122.374 119.914 0.028 0.000 2.392 74 V HA -0.289 -2.296 4.120 -10.211 0.000 0.249 74 V C 2.445 178.241 176.094 -0.497 0.000 1.059 74 V CA 2.227 64.380 62.300 -0.246 0.000 1.051 74 V CB -0.348 31.117 31.823 -0.596 0.000 0.658 74 V HN 0.536 nan 8.190 nan 0.000 0.455 75 H N -0.394 118.411 119.070 -0.440 0.000 2.353 75 H HA -0.182 -1.754 4.556 -10.214 0.000 0.298 75 H C 2.156 177.352 175.328 -0.220 0.000 1.103 75 H CA 2.179 57.967 56.048 -0.434 0.000 1.293 75 H CB -1.105 28.147 29.762 -0.850 0.000 1.372 75 H HN 0.450 nan 8.280 nan 0.000 0.501 76 L N 0.106 120.928 121.223 -0.668 0.000 2.093 76 L HA -0.155 -1.942 4.340 -10.211 0.000 0.208 76 L C 2.850 179.647 176.870 -0.121 0.000 1.085 76 L CA 1.540 56.201 54.840 -0.300 0.000 0.755 76 L CB -0.730 41.143 42.059 -0.311 0.000 0.904 76 L HN 0.315 nan 8.230 nan 0.000 0.435 77 H N 0.028 118.948 119.070 -0.250 0.000 2.319 77 H HA -0.223 -1.792 4.556 -10.210 0.000 0.297 77 H C 2.244 177.448 175.328 -0.206 0.000 1.097 77 H CA 2.345 58.254 56.048 -0.231 0.000 1.285 77 H CB -0.170 29.382 29.762 -0.350 0.000 1.368 77 H HN 0.416 nan 8.280 nan 0.000 0.495 78 H N -1.514 117.453 119.070 -0.171 0.000 2.357 78 H HA -0.086 -1.658 4.556 -10.213 0.000 0.301 78 H C 2.509 177.867 175.328 0.050 0.000 1.082 78 H CA 1.006 56.977 56.048 -0.129 0.000 1.342 78 H CB 0.088 29.937 29.762 0.146 0.000 1.389 78 H HN 0.157 nan 8.280 nan 0.000 0.511 79 V N 1.277 121.346 119.914 0.258 0.000 2.255 79 V HA -0.310 -2.316 4.120 -10.211 0.000 0.247 79 V C 2.214 178.363 176.094 0.092 0.000 1.051 79 V CA 1.992 64.444 62.300 0.254 0.000 1.018 79 V CB -0.580 31.375 31.823 0.220 0.000 0.641 79 V HN 0.474 nan 8.190 nan 0.000 0.445 80 Q N -0.275 119.497 119.800 -0.046 0.000 2.135 80 Q HA -0.205 -1.992 4.340 -10.211 0.000 0.204 80 Q C 2.247 178.066 176.000 -0.302 0.000 0.981 80 Q CA 1.569 57.283 55.803 -0.149 0.000 0.856 80 Q CB -0.286 28.362 28.738 -0.150 0.000 0.902 80 Q HN 0.617 nan 8.270 nan 0.000 0.425 81 N N 0.292 118.714 118.700 -0.463 0.000 2.058 81 N HA -0.113 -1.500 4.740 -10.211 0.000 0.191 81 N C 1.535 176.697 175.510 -0.579 0.000 1.037 81 N CA 1.212 53.801 53.050 -0.767 0.000 0.848 81 N CB -0.353 37.324 38.487 -1.350 0.000 1.021 81 N HN 0.211 nan 8.380 nan 0.000 0.422 82 F N 1.747 121.607 119.950 -0.150 0.000 2.250 82 F HA -0.128 -1.713 4.527 -10.187 0.000 0.301 82 F C 2.488 178.255 175.800 -0.054 0.000 1.077 82 F CA 0.813 58.825 58.000 0.020 0.000 1.348 82 F CB -0.083 38.994 39.000 0.128 0.000 1.040 82 F HN 0.108 nan 8.300 nan 0.000 0.509 83 Q N 0.024 119.845 119.800 0.035 0.000 2.172 83 Q HA -0.137 -1.923 4.340 -10.211 0.000 0.200 83 Q C 2.080 177.983 176.000 -0.162 0.000 0.964 83 Q CA 0.963 56.741 55.803 -0.043 0.000 0.855 83 Q CB -0.070 28.636 28.738 -0.052 0.000 0.918 83 Q HN 0.384 nan 8.270 nan 0.000 0.444 84 K N -0.365 119.819 120.400 -0.361 0.000 2.076 84 K HA -0.073 -1.879 4.320 -10.211 0.000 0.204 84 K C 1.246 177.515 176.600 -0.552 0.000 1.051 84 K CA 1.109 57.032 56.287 -0.606 0.000 0.949 84 K CB 0.207 32.025 32.500 -1.137 0.000 0.726 84 K HN 0.297 nan 8.250 nan 0.000 0.443 85 Y N -0.317 119.902 120.300 -0.136 0.000 2.442 85 Y HA 0.178 -1.400 4.550 -10.213 0.000 0.250 85 Y C 1.102 177.024 175.900 0.036 0.000 1.113 85 Y CA -0.126 57.924 58.100 -0.084 0.000 1.273 85 Y CB 1.191 39.549 38.460 -0.171 0.000 1.138 85 Y HN 0.191 nan 8.280 nan 0.000 0.522 86 G N 1.548 110.465 108.800 0.196 0.000 2.660 86 G HA2 -0.229 -2.396 3.960 -10.211 0.000 0.215 86 G HA3 -0.229 -2.396 3.960 -10.211 0.000 0.215 86 G C -2.103 173.037 174.900 0.400 0.000 1.345 86 G CA -0.338 44.900 45.100 0.229 0.000 0.877 86 G HN 0.039 nan 8.290 nan 0.000 0.549 87 P HA 0.201 nan 4.420 nan 0.000 0.237 87 P C 0.647 178.208 177.300 0.434 0.000 1.178 87 P CA 1.142 64.440 63.100 0.330 0.000 0.766 87 P CB 0.399 32.216 31.700 0.196 0.000 0.876 88 I N -0.237 120.570 120.570 0.396 0.000 2.692 88 I HA 0.444 -1.513 4.170 -10.211 0.000 0.293 88 I C -1.681 174.520 176.117 0.140 0.000 1.200 88 I CA -1.453 59.993 61.300 0.244 0.000 1.036 88 I CB 1.873 39.924 38.000 0.084 0.000 1.258 88 I HN -0.185 nan 8.210 nan 0.000 0.421 89 Y N 5.535 125.774 120.300 -0.102 0.000 2.670 89 Y HA 0.700 -0.879 4.550 -10.215 0.000 0.334 89 Y C -1.741 174.004 175.900 -0.258 0.000 1.185 89 Y CA -1.293 56.630 58.100 -0.295 0.000 1.053 89 Y CB 0.975 39.199 38.460 -0.393 0.000 1.298 89 Y HN 0.635 nan 8.280 nan 0.000 0.459 90 R N 1.369 121.744 120.500 -0.208 0.000 2.670 90 R HA 0.756 -1.031 4.340 -10.211 0.000 0.289 90 R C -1.560 174.728 176.300 -0.020 0.000 0.965 90 R CA -0.845 55.146 56.100 -0.182 0.000 0.899 90 R CB 2.696 32.791 30.300 -0.342 0.000 1.173 90 R HN 0.892 nan 8.270 nan 0.000 0.456 91 E N 2.444 122.691 120.200 0.077 0.000 2.274 91 E HA 0.181 -1.595 4.350 -10.211 0.000 0.269 91 E C -1.508 175.110 176.600 0.030 0.000 0.891 91 E CA -0.790 55.647 56.400 0.061 0.000 0.784 91 E CB 2.027 31.798 29.700 0.119 0.000 1.225 91 E HN 0.563 nan 8.360 nan 0.000 0.412 92 K N 5.254 125.629 120.400 -0.042 0.000 2.276 92 K HA 0.312 -1.494 4.320 -10.211 0.000 0.285 92 K C -0.883 175.630 176.600 -0.146 0.000 1.062 92 K CA -0.330 55.898 56.287 -0.097 0.000 0.918 92 K CB 0.516 32.942 32.500 -0.124 0.000 1.055 92 K HN 0.517 nan 8.250 nan 0.000 0.477 93 L N 5.313 126.440 121.223 -0.161 0.000 2.295 93 L HA 0.291 -1.496 4.340 -10.211 0.000 0.281 93 L C 0.921 177.603 176.870 -0.312 0.000 1.018 93 L CA -0.204 54.519 54.840 -0.195 0.000 0.841 93 L CB 1.089 43.081 42.059 -0.112 0.000 1.218 93 L HN 1.141 nan 8.230 nan 0.000 0.424 94 G N 3.538 111.976 108.800 -0.604 0.000 2.601 94 G HA2 -0.376 -2.543 3.960 -10.211 0.000 0.306 94 G HA3 -0.376 -2.543 3.960 -10.211 0.000 0.306 94 G C 0.783 175.041 174.900 -1.069 0.000 1.172 94 G CA 0.554 44.915 45.100 -1.232 0.000 0.966 94 G HN 0.599 nan 8.290 nan 0.000 0.542 95 N N 0.286 118.680 118.700 -0.510 0.000 2.392 95 N HA 0.225 -1.162 4.740 -10.211 0.000 0.177 95 N C 0.523 175.966 175.510 -0.111 0.000 1.066 95 N CA 0.923 53.842 53.050 -0.219 0.000 0.895 95 N CB 0.530 39.023 38.487 0.011 0.000 0.988 95 N HN 0.410 nan 8.380 nan 0.000 0.457 96 V N 1.489 121.346 119.914 -0.096 0.000 2.370 96 V HA 0.228 -1.779 4.120 -10.211 0.000 0.279 96 V C 0.237 176.278 176.094 -0.088 0.000 1.029 96 V CA -0.775 61.502 62.300 -0.037 0.000 0.870 96 V CB 1.709 33.545 31.823 0.022 0.000 0.984 96 V HN 0.050 nan 8.190 nan 0.000 0.451 97 E N 3.097 123.262 120.200 -0.059 0.000 2.231 97 E HA 0.631 -1.145 4.350 -10.211 0.000 0.277 97 E C -0.737 175.800 176.600 -0.105 0.000 0.999 97 E CA -0.252 56.118 56.400 -0.050 0.000 0.827 97 E CB 1.342 31.051 29.700 0.016 0.000 1.101 97 E HN 0.734 nan 8.360 nan 0.000 0.393 98 S N 1.731 117.343 115.700 -0.147 0.000 2.570 98 S HA 0.422 -1.235 4.470 -10.211 0.000 0.286 98 S C -1.075 173.351 174.600 -0.289 0.000 1.099 98 S CA -0.797 57.196 58.200 -0.346 0.000 0.913 98 S CB 1.860 64.595 63.200 -0.775 0.000 1.085 98 S HN 0.359 nan 8.310 nan 0.000 0.480 99 V N 2.604 122.317 119.914 -0.333 0.000 2.509 99 V HA 0.396 -1.611 4.120 -10.211 0.000 0.284 99 V C -1.342 174.429 176.094 -0.537 0.000 1.047 99 V CA -0.317 61.787 62.300 -0.326 0.000 0.952 99 V CB 0.426 32.135 31.823 -0.191 0.000 0.988 99 V HN 0.784 nan 8.190 nan 0.000 0.469 100 Y N 3.557 123.465 120.300 -0.654 0.000 2.352 100 Y HA 0.644 -0.935 4.550 -10.215 0.000 0.339 100 Y C 0.210 175.970 175.900 -0.233 0.000 0.992 100 Y CA -0.795 56.947 58.100 -0.597 0.000 1.100 100 Y CB 1.977 39.747 38.460 -1.150 0.000 1.192 100 Y HN 0.525 nan 8.280 nan 0.000 0.458 101 V N 1.714 121.679 119.914 0.085 0.000 2.960 101 V HA 0.604 -1.402 4.120 -10.211 0.000 0.315 101 V C -0.350 175.746 176.094 0.003 0.000 1.087 101 V CA -0.562 61.788 62.300 0.083 0.000 0.982 101 V CB 2.276 34.054 31.823 -0.074 0.000 1.039 101 V HN 0.946 nan 8.190 nan 0.000 0.437 102 I N -0.715 119.718 120.570 -0.229 0.000 4.578 102 I HA 0.313 -1.643 4.170 -10.211 0.000 0.312 102 I C 0.562 176.425 176.117 -0.422 0.000 1.224 102 I CA 0.129 61.172 61.300 -0.429 0.000 1.318 102 I CB 0.742 38.167 38.000 -0.958 0.000 1.388 102 I HN 0.904 nan 8.210 nan 0.000 0.461 103 D N 2.403 122.581 120.400 -0.369 0.000 2.417 103 D HA 0.043 -1.443 4.640 -10.211 0.000 0.250 103 D C -1.739 174.241 176.300 -0.534 0.000 1.166 103 D CA -1.498 52.130 54.000 -0.619 0.000 0.881 103 D CB 1.784 42.505 40.800 -0.133 0.000 1.164 103 D HN 0.068 nan 8.370 nan 0.000 0.467 104 P HA -0.147 nan 4.420 nan 0.000 0.217 104 P C 0.986 178.116 177.300 -0.283 0.000 1.148 104 P CA 1.011 63.891 63.100 -0.366 0.000 0.828 104 P CB 0.382 31.909 31.700 -0.288 0.000 0.783 105 E N -0.516 119.584 120.200 -0.167 0.000 2.077 105 E HA -0.182 -1.958 4.350 -10.211 0.000 0.193 105 E C 1.545 178.044 176.600 -0.169 0.000 0.989 105 E CA 1.366 57.721 56.400 -0.075 0.000 0.800 105 E CB -0.577 29.118 29.700 -0.008 0.000 0.746 105 E HN 0.226 nan 8.360 nan 0.000 0.452 106 D N -0.833 119.455 120.400 -0.185 0.000 2.183 106 D HA -0.088 -1.575 4.640 -10.211 0.000 0.203 106 D C 1.957 178.083 176.300 -0.291 0.000 0.969 106 D CA 0.633 54.517 54.000 -0.193 0.000 0.842 106 D CB -0.120 40.599 40.800 -0.135 0.000 0.957 106 D HN 0.093 nan 8.370 nan 0.000 0.484 107 V N 1.797 121.511 119.914 -0.334 0.000 2.295 107 V HA -0.244 -2.250 4.120 -10.211 0.000 0.246 107 V C 2.635 178.348 176.094 -0.635 0.000 1.049 107 V CA 1.828 63.910 62.300 -0.364 0.000 1.024 107 V CB -0.892 30.811 31.823 -0.198 0.000 0.648 107 V HN 0.174 nan 8.190 nan 0.000 0.447 108 A N -0.092 122.125 122.820 -1.004 0.000 1.908 108 A HA -0.187 -1.993 4.320 -10.211 0.000 0.218 108 A C 2.229 179.441 177.584 -0.620 0.000 1.181 108 A CA 1.989 53.211 52.037 -1.357 0.000 0.627 108 A CB -0.590 17.793 19.000 -1.028 0.000 0.818 108 A HN 0.516 nan 8.150 nan 0.000 0.445 109 L N -1.147 119.841 121.223 -0.392 0.000 2.093 109 L HA -0.157 -1.943 4.340 -10.211 0.000 0.208 109 L C 2.573 179.278 176.870 -0.275 0.000 1.085 109 L CA 1.137 55.828 54.840 -0.248 0.000 0.755 109 L CB -0.603 41.355 42.059 -0.168 0.000 0.904 109 L HN 0.501 nan 8.230 nan 0.000 0.435 110 L N -0.148 120.850 121.223 -0.374 0.000 1.970 110 L HA -0.202 -1.989 4.340 -10.211 0.000 0.212 110 L C 2.216 178.785 176.870 -0.502 0.000 1.071 110 L CA 1.993 56.557 54.840 -0.459 0.000 0.751 110 L CB -0.654 41.030 42.059 -0.625 0.000 0.889 110 L HN 0.015 nan 8.230 nan 0.000 0.432 111 F N -0.647 119.012 119.950 -0.485 0.000 2.604 111 F HA -0.079 -1.683 4.527 -10.217 0.000 0.298 111 F C 2.287 177.792 175.800 -0.492 0.000 1.131 111 F CA 0.648 58.250 58.000 -0.664 0.000 1.457 111 F CB -0.225 37.894 39.000 -1.468 0.000 1.095 111 F HN 0.072 nan 8.300 nan 0.000 0.574 112 K N 0.560 120.845 120.400 -0.192 0.000 2.103 112 K HA -0.064 -1.870 4.320 -10.211 0.000 0.204 112 K C 1.256 177.872 176.600 0.027 0.000 1.052 112 K CA 1.126 57.396 56.287 -0.028 0.000 0.945 112 K CB -0.147 32.328 32.500 -0.043 0.000 0.722 112 K HN 0.106 nan 8.250 nan 0.000 0.443 113 S N 0.358 116.041 115.700 -0.029 0.000 2.979 113 S HA 0.229 -1.428 4.470 -10.211 0.000 0.210 113 S C -0.374 174.235 174.600 0.014 0.000 1.364 113 S CA -0.750 57.450 58.200 -0.001 0.000 1.208 113 S CB 0.029 63.210 63.200 -0.031 0.000 1.167 113 S HN 0.148 nan 8.310 nan 0.000 0.519 114 E N 1.125 121.377 120.200 0.088 0.000 2.191 114 E HA 0.556 -1.220 4.350 -10.211 0.000 0.278 114 E C 0.714 177.401 176.600 0.146 0.000 0.972 114 E CA -0.677 55.805 56.400 0.137 0.000 0.804 114 E CB 1.130 31.009 29.700 0.298 0.000 1.110 114 E HN 0.637 nan 8.360 nan 0.000 0.394 115 G N 3.096 111.961 108.800 0.110 0.000 2.651 115 G HA2 0.089 -2.077 3.960 -10.211 0.000 0.260 115 G HA3 0.089 -2.077 3.960 -10.211 0.000 0.260 115 G C -1.406 173.572 174.900 0.131 0.000 1.216 115 G CA -0.800 44.360 45.100 0.100 0.000 0.913 115 G HN 0.538 nan 8.290 nan 0.000 0.535 116 P HA -0.007 nan 4.420 nan 0.000 0.225 116 P C 0.128 177.546 177.300 0.196 0.000 1.156 116 P CA 0.689 63.885 63.100 0.160 0.000 0.787 116 P CB 0.422 32.204 31.700 0.138 0.000 0.802 117 N N 0.664 119.440 118.700 0.127 0.000 2.844 117 N HA 0.265 -1.121 4.740 -10.211 0.000 0.268 117 N C -2.646 172.800 175.510 -0.107 0.000 1.574 117 N CA -1.376 51.714 53.050 0.066 0.000 0.838 117 N CB 0.629 39.195 38.487 0.132 0.000 1.177 117 N HN 0.144 nan 8.380 nan 0.000 0.495 118 P HA 0.149 nan 4.420 nan 0.000 0.269 118 P C -0.434 176.741 177.300 -0.208 0.000 1.209 118 P CA 0.211 63.236 63.100 -0.125 0.000 0.776 118 P CB 1.166 32.845 31.700 -0.036 0.000 0.876 119 E N 1.068 121.246 120.200 -0.037 0.000 2.224 119 E HA 0.311 -1.465 4.350 -10.211 0.000 0.265 119 E C -0.048 176.647 176.600 0.158 0.000 0.878 119 E CA -0.878 55.543 56.400 0.035 0.000 0.759 119 E CB 2.051 31.805 29.700 0.090 0.000 1.164 119 E HN 0.419 nan 8.360 nan 0.000 0.414 120 R N 1.942 122.522 120.500 0.132 0.000 2.719 120 R HA 0.453 -1.334 4.340 -10.211 0.000 0.233 120 R C -0.533 175.915 176.300 0.246 0.000 1.257 120 R CA -0.676 55.514 56.100 0.149 0.000 1.109 120 R CB 0.478 30.867 30.300 0.148 0.000 1.447 120 R HN 0.376 nan 8.270 nan 0.000 0.537 121 F N 1.359 121.332 119.950 0.039 0.000 2.456 121 F HA 0.306 -1.293 4.527 -10.210 0.000 0.358 121 F C -0.680 175.195 175.800 0.125 0.000 1.095 121 F CA -0.614 57.435 58.000 0.081 0.000 1.216 121 F CB 0.569 39.551 39.000 -0.030 0.000 1.125 121 F HN 0.246 nan 8.300 nan 0.000 0.549 122 L N 7.616 128.530 121.223 -0.516 0.000 2.305 122 L HA 0.317 -1.469 4.340 -10.211 0.000 0.281 122 L C -0.149 176.236 176.870 -0.809 0.000 1.085 122 L CA -0.643 53.939 54.840 -0.431 0.000 0.813 122 L CB 1.121 43.072 42.059 -0.180 0.000 1.157 122 L HN 0.535 nan 8.230 nan 0.000 0.436 123 I N 5.776 126.074 120.570 -0.454 0.000 2.421 123 I HA 0.065 -1.892 4.170 -10.211 0.000 0.291 123 I C -1.378 174.652 176.117 -0.145 0.000 1.089 123 I CA -1.399 59.629 61.300 -0.454 0.000 1.354 123 I CB 0.983 38.421 38.000 -0.937 0.000 1.413 123 I HN 0.453 nan 8.210 nan 0.000 0.513 124 P HA -0.130 nan 4.420 nan 0.000 0.215 124 P C -1.332 176.196 177.300 0.379 0.000 1.157 124 P CA 1.445 64.667 63.100 0.203 0.000 0.868 124 P CB -0.857 31.032 31.700 0.314 0.000 0.788 125 P HA -0.178 nan 4.420 nan 0.000 0.216 125 P C 1.127 178.925 177.300 0.829 0.000 1.150 125 P CA 1.508 64.830 63.100 0.371 0.000 0.837 125 P CB -0.598 31.048 31.700 -0.090 0.000 0.786 126 W N -0.159 121.434 121.300 0.489 0.000 2.379 126 W HA -0.055 -1.522 4.660 -10.211 0.000 0.307 126 W C 2.472 179.249 176.519 0.430 0.000 1.200 126 W CA 0.124 57.758 57.345 0.481 0.000 1.297 126 W CB -1.957 27.778 29.460 0.459 0.000 1.140 126 W HN -0.218 nan 8.180 nan 0.000 0.507 127 V N 1.168 121.408 119.914 0.545 0.000 2.255 127 V HA -0.321 -2.327 4.120 -10.211 0.000 0.247 127 V C 2.529 178.875 176.094 0.419 0.000 1.051 127 V CA 2.646 65.168 62.300 0.370 0.000 1.018 127 V CB -1.663 30.294 31.823 0.223 0.000 0.641 127 V HN 0.159 nan 8.190 nan 0.000 0.445 128 A N -1.006 122.113 122.820 0.499 0.000 1.908 128 A HA -0.294 -2.101 4.320 -10.211 0.000 0.218 128 A C 2.166 180.148 177.584 0.665 0.000 1.181 128 A CA 2.245 54.597 52.037 0.525 0.000 0.627 128 A CB -0.834 18.504 19.000 0.564 0.000 0.818 128 A HN 0.695 nan 8.150 nan 0.000 0.445 129 Y N 0.198 120.878 120.300 0.633 0.000 2.145 129 Y HA -0.289 -1.865 4.550 -10.210 0.000 0.286 129 Y C 2.337 178.345 175.900 0.180 0.000 1.145 129 Y CA 2.489 60.832 58.100 0.406 0.000 1.148 129 Y CB -0.571 37.851 38.460 -0.063 0.000 0.981 129 Y HN 0.520 nan 8.280 nan 0.000 0.507 130 H N -0.558 118.541 119.070 0.048 0.000 2.389 130 H HA -0.094 -1.665 4.556 -10.211 0.000 0.299 130 H C 2.258 177.538 175.328 -0.081 0.000 1.081 130 H CA 1.921 57.891 56.048 -0.130 0.000 1.345 130 H CB -0.085 29.670 29.762 -0.011 0.000 1.393 130 H HN 0.449 nan 8.280 nan 0.000 0.520 131 Q N -0.704 119.198 119.800 0.170 0.000 1.990 131 Q HA -0.176 -1.962 4.340 -10.211 0.000 0.200 131 Q C 1.863 177.888 176.000 0.042 0.000 0.980 131 Q CA 1.525 57.389 55.803 0.102 0.000 0.832 131 Q CB -0.235 28.584 28.738 0.134 0.000 0.897 131 Q HN 0.488 nan 8.270 nan 0.000 0.427 132 Y N -0.265 120.027 120.300 -0.013 0.000 2.128 132 Y HA -0.271 -1.848 4.550 -10.211 0.000 0.284 132 Y C 1.137 176.830 175.900 -0.345 0.000 1.154 132 Y CA 1.639 59.648 58.100 -0.151 0.000 1.149 132 Y CB -0.035 38.364 38.460 -0.103 0.000 0.976 132 Y HN 0.149 nan 8.280 nan 0.000 0.505 133 Y N 0.935 121.111 120.300 -0.207 0.000 2.470 133 Y HA 0.130 -1.446 4.550 -10.211 0.000 0.284 133 Y C 0.319 175.990 175.900 -0.382 0.000 1.188 133 Y CA 0.001 57.877 58.100 -0.373 0.000 1.269 133 Y CB -0.589 37.549 38.460 -0.537 0.000 1.094 133 Y HN 0.120 nan 8.280 nan 0.000 0.518 134 Q N 1.301 120.975 119.800 -0.210 0.000 2.437 134 Q HA -0.230 -2.017 4.340 -10.211 0.000 0.354 134 Q C -0.555 175.328 176.000 -0.196 0.000 1.402 134 Q CA 0.323 56.029 55.803 -0.162 0.000 1.020 134 Q CB -0.821 27.830 28.738 -0.145 0.000 1.220 134 Q HN 0.374 nan 8.270 nan 0.000 0.368 135 R N 1.467 121.803 120.500 -0.273 0.000 2.428 135 R HA 0.428 -1.358 4.340 -10.211 0.000 0.294 135 R C -2.131 174.128 176.300 -0.068 0.000 1.000 135 R CA -2.027 53.845 56.100 -0.379 0.000 0.960 135 R CB 0.384 30.128 30.300 -0.926 0.000 1.076 135 R HN 0.123 nan 8.270 nan 0.000 0.475 136 P HA 0.173 nan 4.420 nan 0.000 0.276 136 P C -0.059 177.373 177.300 0.220 0.000 1.230 136 P CA -0.185 62.981 63.100 0.110 0.000 0.776 136 P CB 0.509 32.272 31.700 0.105 0.000 0.888 137 I N -0.289 120.361 120.570 0.132 0.000 2.488 137 I HA 0.767 -1.189 4.170 -10.211 0.000 0.299 137 I C 0.297 176.463 176.117 0.082 0.000 0.984 137 I CA -0.752 60.593 61.300 0.076 0.000 1.250 137 I CB 1.766 39.753 38.000 -0.021 0.000 1.389 137 I HN 0.304 nan 8.210 nan 0.000 0.488 138 G N 2.809 111.655 108.800 0.077 0.000 2.795 138 G HA2 0.353 -1.813 3.960 -10.211 0.000 0.267 138 G HA3 0.353 -1.813 3.960 -10.211 0.000 0.267 138 G C 0.471 175.441 174.900 0.116 0.000 1.362 138 G CA -0.474 44.677 45.100 0.085 0.000 1.048 138 G HN 0.594 nan 8.290 nan 0.000 0.547 139 V N -0.330 119.663 119.914 0.132 0.000 2.380 139 V HA -0.154 -2.160 4.120 -10.211 0.000 0.251 139 V C 2.837 179.138 176.094 0.344 0.000 1.063 139 V CA 2.367 64.803 62.300 0.228 0.000 1.055 139 V CB -0.437 31.475 31.823 0.148 0.000 0.657 139 V HN 0.537 nan 8.190 nan 0.000 0.455 140 L N -0.475 120.902 121.223 0.256 0.000 2.079 140 L HA -0.109 -1.895 4.340 -10.211 0.000 0.210 140 L C 1.873 178.871 176.870 0.213 0.000 1.081 140 L CA 2.142 57.140 54.840 0.264 0.000 0.752 140 L CB -0.327 41.902 42.059 0.282 0.000 0.896 140 L HN 0.320 nan 8.230 nan 0.000 0.433 141 L N -1.233 120.080 121.223 0.150 0.000 2.640 141 L HA 0.164 -1.622 4.340 -10.211 0.000 0.230 141 L C 0.697 177.624 176.870 0.095 0.000 1.123 141 L CA -0.185 54.708 54.840 0.087 0.000 0.900 141 L CB -0.149 41.885 42.059 -0.041 0.000 1.146 141 L HN 0.082 nan 8.230 nan 0.000 0.484 142 K N 1.228 121.727 120.400 0.166 0.000 2.106 142 K HA 0.473 -1.334 4.320 -10.211 0.000 0.246 142 K C -0.380 176.334 176.600 0.191 0.000 0.987 142 K CA -0.560 55.839 56.287 0.187 0.000 0.904 142 K CB 1.596 34.242 32.500 0.243 0.000 1.071 142 K HN -0.044 nan 8.250 nan 0.000 0.453 143 K N -0.736 119.765 120.400 0.168 0.000 2.399 143 K HA 0.549 -1.257 4.320 -10.211 0.000 0.260 143 K C -0.188 176.532 176.600 0.201 0.000 1.049 143 K CA -0.931 55.427 56.287 0.119 0.000 0.890 143 K CB 1.588 34.104 32.500 0.026 0.000 1.430 143 K HN 0.577 nan 8.250 nan 0.000 0.459 144 S N -0.740 115.057 115.700 0.162 0.000 3.330 144 S HA -0.341 -1.998 4.470 -10.211 0.000 0.630 144 S C 1.325 176.074 174.600 0.249 0.000 2.776 144 S CA 1.178 59.478 58.200 0.167 0.000 3.494 144 S CB -1.715 61.544 63.200 0.099 0.000 0.291 144 S HN 1.344 nan 8.310 nan 0.000 1.451 145 A N 0.795 123.713 122.820 0.163 0.000 1.902 145 A HA 0.239 -1.567 4.320 -10.211 0.000 0.217 145 A C 2.728 180.384 177.584 0.119 0.000 1.181 145 A CA 2.922 55.039 52.037 0.133 0.000 0.623 145 A CB -1.624 17.425 19.000 0.083 0.000 0.818 145 A HN 1.892 nan 8.150 nan 0.000 0.443 146 A N -1.666 121.227 122.820 0.121 0.000 1.978 146 A HA -0.177 -1.983 4.320 -10.211 0.000 0.220 146 A C 1.943 179.603 177.584 0.126 0.000 1.170 146 A CA 1.618 53.715 52.037 0.099 0.000 0.636 146 A CB -0.816 18.240 19.000 0.095 0.000 0.810 146 A HN 0.927 nan 8.150 nan 0.000 0.448 147 W N 0.776 122.098 121.300 0.037 0.000 2.409 147 W HA -0.097 -1.563 4.660 -10.211 0.000 0.299 147 W C 1.999 178.544 176.519 0.043 0.000 1.203 147 W CA 1.837 59.209 57.345 0.045 0.000 1.298 147 W CB -0.047 29.447 29.460 0.057 0.000 1.127 147 W HN 0.194 nan 8.180 nan 0.000 0.528 148 K N 1.188 121.528 120.400 -0.099 0.000 2.057 148 K HA -0.177 -1.983 4.320 -10.211 0.000 0.206 148 K C 2.185 178.586 176.600 -0.332 0.000 1.050 148 K CA 1.803 57.867 56.287 -0.370 0.000 0.935 148 K CB -0.536 31.974 32.500 0.017 0.000 0.715 148 K HN 0.047 nan 8.250 nan 0.000 0.439 149 K N 0.187 120.488 120.400 -0.165 0.000 2.032 149 K HA -0.182 -1.988 4.320 -10.211 0.000 0.209 149 K C 1.264 177.766 176.600 -0.163 0.000 1.048 149 K CA 2.104 58.319 56.287 -0.121 0.000 0.927 149 K CB -0.165 32.304 32.500 -0.051 0.000 0.712 149 K HN 0.159 nan 8.250 nan 0.000 0.441 150 D N -0.189 120.091 120.400 -0.200 0.000 2.097 150 D HA -0.126 -1.613 4.640 -10.211 0.000 0.197 150 D C 2.000 178.133 176.300 -0.279 0.000 0.984 150 D CA 0.913 54.797 54.000 -0.193 0.000 0.826 150 D CB -0.087 40.625 40.800 -0.146 0.000 0.973 150 D HN 0.043 nan 8.370 nan 0.000 0.460 151 R N 0.634 120.818 120.500 -0.527 0.000 2.083 151 R HA -0.084 -1.870 4.340 -10.211 0.000 0.237 151 R C 2.025 178.132 176.300 -0.322 0.000 1.137 151 R CA 0.992 56.765 56.100 -0.545 0.000 0.951 151 R CB -0.843 28.781 30.300 -1.127 0.000 0.851 151 R HN 0.069 nan 8.270 nan 0.000 0.434 152 V N 0.644 120.378 119.914 -0.301 0.000 2.295 152 V HA -0.218 -2.225 4.120 -10.211 0.000 0.246 152 V C 2.355 178.377 176.094 -0.120 0.000 1.049 152 V CA 2.010 64.205 62.300 -0.175 0.000 1.024 152 V CB -1.000 30.740 31.823 -0.139 0.000 0.648 152 V HN 0.534 nan 8.190 nan 0.000 0.447 153 A N -0.580 122.171 122.820 -0.116 0.000 1.933 153 A HA -0.133 -1.939 4.320 -10.211 0.000 0.218 153 A C 2.220 179.765 177.584 -0.064 0.000 1.175 153 A CA 1.705 53.697 52.037 -0.076 0.000 0.628 153 A CB -0.462 18.498 19.000 -0.067 0.000 0.814 153 A HN 0.505 nan 8.150 nan 0.000 0.444 154 L N -0.665 120.508 121.223 -0.082 0.000 2.072 154 L HA -0.134 -1.920 4.340 -10.211 0.000 0.205 154 L C 2.254 179.101 176.870 -0.038 0.000 1.079 154 L CA 0.879 55.685 54.840 -0.056 0.000 0.752 154 L CB -0.556 41.465 42.059 -0.063 0.000 0.906 154 L HN 0.317 nan 8.230 nan 0.000 0.436 155 N N 0.540 119.203 118.700 -0.061 0.000 2.094 155 N HA -0.259 -1.646 4.740 -10.211 0.000 0.191 155 N C 1.820 177.308 175.510 -0.038 0.000 1.023 155 N CA 1.627 54.649 53.050 -0.047 0.000 0.857 155 N CB -0.283 38.165 38.487 -0.065 0.000 1.013 155 N HN 0.540 nan 8.380 nan 0.000 0.426 156 Q N 0.014 119.790 119.800 -0.040 0.000 2.291 156 Q HA -0.014 -1.801 4.340 -10.211 0.000 0.205 156 Q C 0.666 176.653 176.000 -0.022 0.000 0.970 156 Q CA 1.049 56.831 55.803 -0.036 0.000 0.876 156 Q CB 0.095 28.812 28.738 -0.034 0.000 0.935 156 Q HN 0.132 nan 8.270 nan 0.000 0.455 157 E N -0.085 120.118 120.200 0.005 0.000 2.452 157 E HA 0.108 -1.668 4.350 -10.211 0.000 0.197 157 E C 1.175 177.846 176.600 0.118 0.000 1.022 157 E CA 0.249 56.680 56.400 0.052 0.000 0.890 157 E CB 1.213 30.954 29.700 0.069 0.000 0.918 157 E HN 0.229 nan 8.360 nan 0.000 0.496 158 V N -0.261 119.710 119.914 0.095 0.000 3.431 158 V HA 0.092 -1.914 4.120 -10.211 0.000 0.255 158 V C 1.387 177.562 176.094 0.134 0.000 1.403 158 V CA 0.389 62.803 62.300 0.191 0.000 1.101 158 V CB 0.478 32.364 31.823 0.105 0.000 0.891 158 V HN 0.111 nan 8.190 nan 0.000 0.446 159 M N -0.255 119.361 119.600 0.027 0.000 2.638 159 M HA 0.416 -1.231 4.480 -10.211 0.000 0.256 159 M C 1.159 177.420 176.300 -0.065 0.000 1.282 159 M CA 0.566 55.856 55.300 -0.016 0.000 1.155 159 M CB -0.246 32.337 32.600 -0.029 0.000 1.345 159 M HN 0.237 nan 8.290 nan 0.000 0.523 160 A N 2.361 125.134 122.820 -0.079 0.000 2.524 160 A HA 0.207 -1.599 4.320 -10.211 0.000 0.250 160 A C -1.554 175.940 177.584 -0.150 0.000 1.078 160 A CA -0.837 51.139 52.037 -0.102 0.000 0.761 160 A CB -0.454 18.493 19.000 -0.088 0.000 1.012 160 A HN 0.137 nan 8.150 nan 0.000 0.500 161 P HA -0.195 nan 4.420 nan 0.000 0.217 161 P C 1.096 178.283 177.300 -0.189 0.000 1.151 161 P CA 1.373 64.382 63.100 -0.152 0.000 0.849 161 P CB 0.232 31.866 31.700 -0.110 0.000 0.787 162 E N -0.755 119.348 120.200 -0.162 0.000 2.150 162 E HA -0.098 -1.874 4.350 -10.211 0.000 0.193 162 E C 2.031 178.485 176.600 -0.243 0.000 0.985 162 E CA 1.413 57.712 56.400 -0.167 0.000 0.814 162 E CB -0.939 28.694 29.700 -0.113 0.000 0.752 162 E HN 0.220 nan 8.360 nan 0.000 0.466 163 A N 0.999 123.652 122.820 -0.277 0.000 1.898 163 A HA -0.094 -1.900 4.320 -10.211 0.000 0.214 163 A C 2.418 179.526 177.584 -0.795 0.000 1.183 163 A CA 1.941 53.739 52.037 -0.399 0.000 0.622 163 A CB -0.801 18.051 19.000 -0.246 0.000 0.824 163 A HN 0.371 nan 8.150 nan 0.000 0.444 164 T N -0.520 113.584 114.554 -0.750 0.000 2.951 164 T HA -0.152 -1.928 4.350 -10.211 0.000 0.268 164 T C 1.770 176.017 174.700 -0.755 0.000 1.073 164 T CA 1.463 62.919 62.100 -1.072 0.000 1.134 164 T CB -0.425 68.169 68.868 -0.456 0.000 0.884 164 T HN 0.663 nan 8.240 nan 0.000 0.479 165 K N 1.449 121.561 120.400 -0.480 0.000 2.209 165 K HA -0.116 -1.922 4.320 -10.211 0.000 0.204 165 K C 1.543 177.946 176.600 -0.329 0.000 1.048 165 K CA 1.394 57.497 56.287 -0.307 0.000 0.940 165 K CB -0.450 31.918 32.500 -0.221 0.000 0.729 165 K HN 0.238 nan 8.250 nan 0.000 0.451 166 N N 0.396 118.769 118.700 -0.545 0.000 2.459 166 N HA -0.068 -1.454 4.740 -10.211 0.000 0.181 166 N C 1.183 176.558 175.510 -0.226 0.000 1.046 166 N CA 0.726 53.434 53.050 -0.570 0.000 0.904 166 N CB -0.193 37.494 38.487 -1.334 0.000 0.964 166 N HN 0.199 nan 8.380 nan 0.000 0.444 167 F N 1.355 121.180 119.950 -0.209 0.000 2.365 167 F HA 0.078 -1.523 4.527 -10.212 0.000 0.300 167 F C 2.165 177.936 175.800 -0.047 0.000 1.090 167 F CA -0.088 57.859 58.000 -0.089 0.000 1.408 167 F CB -0.937 38.018 39.000 -0.076 0.000 1.060 167 F HN -0.033 nan 8.300 nan 0.000 0.534 168 L N 0.315 121.601 121.223 0.105 0.000 1.989 168 L HA -0.194 -1.981 4.340 -10.211 0.000 0.211 168 L C -0.077 176.837 176.870 0.072 0.000 1.071 168 L CA 1.819 56.702 54.840 0.070 0.000 0.749 168 L CB -2.485 39.586 42.059 0.020 0.000 0.890 168 L HN 0.091 nan 8.230 nan 0.000 0.431 169 P HA -0.108 nan 4.420 nan 0.000 0.219 169 P C 2.016 179.364 177.300 0.080 0.000 1.150 169 P CA 1.174 64.314 63.100 0.065 0.000 0.814 169 P CB 0.080 31.816 31.700 0.059 0.000 0.787 170 L N -1.546 119.736 121.223 0.098 0.000 2.072 170 L HA -0.106 -1.892 4.340 -10.211 0.000 0.205 170 L C 2.440 179.342 176.870 0.053 0.000 1.079 170 L CA 1.240 56.130 54.840 0.083 0.000 0.752 170 L CB -0.868 41.256 42.059 0.110 0.000 0.906 170 L HN -0.059 nan 8.230 nan 0.000 0.436 171 L N -0.685 120.574 121.223 0.061 0.000 2.095 171 L HA -0.169 -1.955 4.340 -10.211 0.000 0.204 171 L C 2.262 179.206 176.870 0.124 0.000 1.080 171 L CA 0.953 55.827 54.840 0.057 0.000 0.759 171 L CB -0.549 41.545 42.059 0.059 0.000 0.914 171 L HN 0.217 nan 8.230 nan 0.000 0.439 172 D N 0.429 120.897 120.400 0.114 0.000 2.123 172 D HA -0.202 -1.689 4.640 -10.211 0.000 0.196 172 D C 2.162 178.535 176.300 0.122 0.000 0.992 172 D CA 1.482 55.551 54.000 0.116 0.000 0.833 172 D CB 0.140 40.989 40.800 0.082 0.000 0.954 172 D HN 0.249 nan 8.370 nan 0.000 0.455 173 A N -0.172 122.710 122.820 0.104 0.000 1.908 173 A HA -0.155 -1.961 4.320 -10.211 0.000 0.218 173 A C 2.568 180.236 177.584 0.140 0.000 1.181 173 A CA 1.855 53.952 52.037 0.101 0.000 0.627 173 A CB -0.833 18.213 19.000 0.077 0.000 0.818 173 A HN 0.214 nan 8.150 nan 0.000 0.445 174 V N -0.374 119.636 119.914 0.160 0.000 2.270 174 V HA -0.211 -2.217 4.120 -10.211 0.000 0.245 174 V C 2.772 179.126 176.094 0.433 0.000 1.043 174 V CA 2.274 64.717 62.300 0.238 0.000 1.014 174 V CB -0.968 30.924 31.823 0.114 0.000 0.645 174 V HN 0.552 nan 8.190 nan 0.000 0.447 175 S N -0.331 115.655 115.700 0.477 0.000 2.374 175 S HA -0.254 -1.910 4.470 -10.211 0.000 0.227 175 S C 2.106 176.841 174.600 0.225 0.000 1.037 175 S CA 1.823 60.261 58.200 0.396 0.000 1.024 175 S CB -0.353 63.011 63.200 0.273 0.000 0.861 175 S HN 0.531 nan 8.310 nan 0.000 0.456 176 R N 1.007 121.611 120.500 0.173 0.000 2.081 176 R HA -0.074 -1.860 4.340 -10.211 0.000 0.235 176 R C 1.868 178.252 176.300 0.139 0.000 1.131 176 R CA 1.515 57.688 56.100 0.122 0.000 0.960 176 R CB -0.374 29.980 30.300 0.091 0.000 0.856 176 R HN 0.314 nan 8.270 nan 0.000 0.436 177 D N 0.102 120.603 120.400 0.169 0.000 2.144 177 D HA -0.177 -1.663 4.640 -10.211 0.000 0.199 177 D C 1.541 177.939 176.300 0.163 0.000 0.984 177 D CA 1.000 55.092 54.000 0.153 0.000 0.834 177 D CB -0.217 40.679 40.800 0.160 0.000 0.955 177 D HN 0.085 nan 8.370 nan 0.000 0.465 178 F N 1.281 121.293 119.950 0.102 0.000 2.102 178 F HA -0.220 -1.818 4.527 -10.209 0.000 0.298 178 F C 2.296 178.061 175.800 -0.059 0.000 1.105 178 F CA 0.960 58.981 58.000 0.035 0.000 1.239 178 F CB -0.314 38.699 39.000 0.023 0.000 0.991 178 F HN -0.224 nan 8.300 nan 0.000 0.474 179 V N -0.489 119.489 119.914 0.106 0.000 2.282 179 V HA -0.370 -2.377 4.120 -10.211 0.000 0.249 179 V C 2.500 178.638 176.094 0.074 0.000 1.057 179 V CA 2.271 64.633 62.300 0.103 0.000 1.032 179 V CB -0.993 30.902 31.823 0.120 0.000 0.645 179 V HN 0.376 nan 8.190 nan 0.000 0.447 180 S N -0.533 115.212 115.700 0.075 0.000 2.368 180 S HA -0.181 -1.837 4.470 -10.211 0.000 0.225 180 S C 1.987 176.564 174.600 -0.038 0.000 1.030 180 S CA 1.534 59.781 58.200 0.079 0.000 0.999 180 S CB -0.256 62.976 63.200 0.053 0.000 0.844 180 S HN 0.394 nan 8.310 nan 0.000 0.459 181 V N 2.314 122.124 119.914 -0.173 0.000 2.252 181 V HA -0.237 -2.243 4.120 -10.211 0.000 0.249 181 V C 2.228 178.081 176.094 -0.402 0.000 1.056 181 V CA 1.843 63.966 62.300 -0.295 0.000 1.022 181 V CB -0.807 30.763 31.823 -0.422 0.000 0.641 181 V HN 0.423 nan 8.190 nan 0.000 0.445 182 L N -1.132 119.750 121.223 -0.569 0.000 2.012 182 L HA -0.213 -2.000 4.340 -10.211 0.000 0.210 182 L C 2.682 179.329 176.870 -0.372 0.000 1.073 182 L CA 1.693 56.118 54.840 -0.692 0.000 0.748 182 L CB -0.949 40.411 42.059 -1.164 0.000 0.891 182 L HN 0.419 nan 8.230 nan 0.000 0.431 183 H N 0.288 119.323 119.070 -0.058 0.000 2.353 183 H HA -0.141 -1.711 4.556 -10.210 0.000 0.298 183 H C 2.496 177.788 175.328 -0.059 0.000 1.103 183 H CA 1.486 57.559 56.048 0.041 0.000 1.293 183 H CB -0.081 29.723 29.762 0.069 0.000 1.372 183 H HN 0.300 nan 8.280 nan 0.000 0.501 184 R N 0.341 120.840 120.500 -0.003 0.000 2.075 184 R HA -0.051 -1.838 4.340 -10.211 0.000 0.232 184 R C 2.536 178.756 176.300 -0.134 0.000 1.126 184 R CA 0.790 56.852 56.100 -0.064 0.000 0.963 184 R CB -0.029 30.217 30.300 -0.089 0.000 0.858 184 R HN 0.298 nan 8.270 nan 0.000 0.435 185 R N 0.372 120.704 120.500 -0.279 0.000 2.092 185 R HA -0.027 -1.813 4.340 -10.211 0.000 0.231 185 R C 2.305 178.469 176.300 -0.227 0.000 1.119 185 R CA 1.061 56.909 56.100 -0.420 0.000 0.970 185 R CB -0.267 29.419 30.300 -1.023 0.000 0.864 185 R HN 0.229 nan 8.270 nan 0.000 0.440 186 I N 0.946 121.440 120.570 -0.126 0.000 2.226 186 I HA -0.309 -2.265 4.170 -10.211 0.000 0.245 186 I C 2.574 178.710 176.117 0.031 0.000 1.100 186 I CA 1.356 62.669 61.300 0.022 0.000 1.374 186 I CB -0.211 37.850 38.000 0.102 0.000 1.057 186 I HN 0.119 nan 8.210 nan 0.000 0.413 187 K N 1.555 121.968 120.400 0.022 0.000 2.025 187 K HA -0.235 -2.042 4.320 -10.211 0.000 0.207 187 K C 2.238 178.840 176.600 0.003 0.000 1.049 187 K CA 1.572 57.871 56.287 0.020 0.000 0.933 187 K CB -0.081 32.428 32.500 0.015 0.000 0.714 187 K HN 0.055 nan 8.250 nan 0.000 0.438 188 K N -0.021 120.367 120.400 -0.020 0.000 2.097 188 K HA -0.111 -1.917 4.320 -10.211 0.000 0.206 188 K C 1.825 178.426 176.600 0.002 0.000 1.049 188 K CA 1.290 57.567 56.287 -0.018 0.000 0.933 188 K CB -0.178 32.297 32.500 -0.041 0.000 0.717 188 K HN 0.245 nan 8.250 nan 0.000 0.442 189 A N 0.226 123.056 122.820 0.017 0.000 2.015 189 A HA 0.071 -1.736 4.320 -10.211 0.000 0.219 189 A C 1.782 179.381 177.584 0.024 0.000 1.163 189 A CA 1.407 53.468 52.037 0.040 0.000 0.646 189 A CB -0.772 18.279 19.000 0.086 0.000 0.806 189 A HN 0.629 nan 8.150 nan 0.000 0.448 190 G N -1.790 107.023 108.800 0.023 0.000 2.184 190 G HA2 -0.262 -2.428 3.960 -10.211 0.000 0.264 190 G HA3 -0.262 -2.428 3.960 -10.211 0.000 0.264 190 G C 0.703 175.621 174.900 0.030 0.000 0.975 190 G CA 0.783 45.898 45.100 0.024 0.000 0.642 190 G HN 0.836 nan 8.290 nan 0.000 0.536 191 S N 0.127 115.842 115.700 0.024 0.000 2.651 191 S HA 0.484 -1.172 4.470 -10.211 0.000 0.246 191 S C 1.462 176.092 174.600 0.050 0.000 1.039 191 S CA 0.793 59.014 58.200 0.036 0.000 1.013 191 S CB 0.501 63.715 63.200 0.023 0.000 0.861 191 S HN 2.090 nan 8.310 nan 0.000 0.485 192 G N 2.432 111.267 108.800 0.059 0.000 2.272 192 G HA2 -0.264 -2.430 3.960 -10.211 0.000 0.280 192 G HA3 -0.264 -2.430 3.960 -10.211 0.000 0.280 192 G C -0.263 174.653 174.900 0.027 0.000 1.067 192 G CA 0.264 45.428 45.100 0.107 0.000 0.902 192 G HN 0.595 nan 8.290 nan 0.000 0.500 193 N N -1.497 117.147 118.700 -0.094 0.000 2.827 193 N HA 0.497 -0.890 4.740 -10.211 0.000 0.248 193 N C -1.527 173.899 175.510 -0.140 0.000 1.074 193 N CA -0.724 52.102 53.050 -0.373 0.000 1.042 193 N CB 0.986 39.158 38.487 -0.524 0.000 1.684 193 N HN 0.513 nan 8.380 nan 0.000 0.542 194 Y N 1.989 122.126 120.300 -0.271 0.000 2.373 194 Y HA 0.698 -0.878 4.550 -10.211 0.000 0.336 194 Y C -1.355 174.488 175.900 -0.096 0.000 0.979 194 Y CA -0.418 57.598 58.100 -0.140 0.000 1.080 194 Y CB 1.754 40.158 38.460 -0.092 0.000 1.190 194 Y HN 0.475 nan 8.280 nan 0.000 0.446 195 S N 3.261 118.446 115.700 -0.858 0.000 2.532 195 S HA 0.973 -0.684 4.470 -10.211 0.000 0.301 195 S C -0.464 173.555 174.600 -0.968 0.000 1.083 195 S CA -0.209 57.554 58.200 -0.729 0.000 1.025 195 S CB 1.727 64.684 63.200 -0.405 0.000 1.056 195 S HN 1.205 nan 8.310 nan 0.000 0.494 196 G N 1.113 109.581 108.800 -0.552 0.000 2.340 196 G HA2 0.308 -1.858 3.960 -10.211 0.000 0.300 196 G HA3 0.308 -1.858 3.960 -10.211 0.000 0.300 196 G C -2.233 172.620 174.900 -0.077 0.000 1.488 196 G CA -0.874 44.045 45.100 -0.302 0.000 0.878 196 G HN 0.553 nan 8.290 nan 0.000 0.618 197 D N 0.322 120.700 120.400 -0.037 0.000 2.325 197 D HA 0.293 -1.193 4.640 -10.211 0.000 0.251 197 D C 1.531 177.890 176.300 0.099 0.000 1.196 197 D CA -0.497 53.502 54.000 -0.001 0.000 0.866 197 D CB 0.860 41.628 40.800 -0.054 0.000 1.101 197 D HN 0.616 nan 8.370 nan 0.000 0.476 198 I N 0.985 121.672 120.570 0.195 0.000 3.891 198 I HA 0.095 -1.862 4.170 -10.211 0.000 0.331 198 I C 1.475 177.643 176.117 0.084 0.000 1.406 198 I CA -0.440 60.987 61.300 0.210 0.000 1.139 198 I CB 0.010 38.216 38.000 0.342 0.000 1.056 198 I HN 0.150 nan 8.210 nan 0.000 0.399 199 S N 1.078 116.765 115.700 -0.022 0.000 2.359 199 S HA -0.245 -1.901 4.470 -10.211 0.000 0.223 199 S C 1.488 175.953 174.600 -0.225 0.000 1.039 199 S CA 1.822 59.883 58.200 -0.233 0.000 1.042 199 S CB -0.667 62.407 63.200 -0.211 0.000 0.915 199 S HN 0.522 nan 8.310 nan 0.000 0.439 200 D N 1.982 122.418 120.400 0.059 0.000 2.117 200 D HA -0.080 -1.567 4.640 -10.211 0.000 0.197 200 D C 1.710 178.125 176.300 0.192 0.000 0.987 200 D CA 1.332 55.466 54.000 0.224 0.000 0.829 200 D CB -0.602 40.284 40.800 0.143 0.000 0.961 200 D HN 0.441 nan 8.370 nan 0.000 0.460 201 D N 0.373 120.869 120.400 0.159 0.000 2.144 201 D HA -0.100 -1.587 4.640 -10.211 0.000 0.199 201 D C 2.378 178.868 176.300 0.318 0.000 0.984 201 D CA 0.408 54.563 54.000 0.259 0.000 0.834 201 D CB -0.102 40.861 40.800 0.271 0.000 0.955 201 D HN 0.260 nan 8.370 nan 0.000 0.465 202 L N -0.249 121.030 121.223 0.093 0.000 2.056 202 L HA -0.115 -1.901 4.340 -10.211 0.000 0.207 202 L C 2.494 179.344 176.870 -0.033 0.000 1.078 202 L CA 0.736 55.515 54.840 -0.101 0.000 0.749 202 L CB -0.447 41.415 42.059 -0.330 0.000 0.901 202 L HN -0.029 nan 8.230 nan 0.000 0.433 203 F N 0.125 120.119 119.950 0.074 0.000 2.095 203 F HA -0.254 -1.853 4.527 -10.211 0.000 0.298 203 F C 2.795 178.672 175.800 0.129 0.000 1.104 203 F CA 1.133 59.174 58.000 0.069 0.000 1.232 203 F CB -0.335 38.671 39.000 0.011 0.000 0.987 203 F HN -0.074 nan 8.300 nan 0.000 0.475 204 R N -0.532 120.165 120.500 0.328 0.000 2.091 204 R HA -0.196 -1.983 4.340 -10.211 0.000 0.238 204 R C 2.138 178.630 176.300 0.320 0.000 1.136 204 R CA 1.774 58.052 56.100 0.297 0.000 0.959 204 R CB -0.780 29.669 30.300 0.248 0.000 0.856 204 R HN 0.283 nan 8.270 nan 0.000 0.437 205 F N 1.505 121.554 119.950 0.165 0.000 2.069 205 F HA -0.205 -1.805 4.527 -10.212 0.000 0.298 205 F C 2.278 178.099 175.800 0.034 0.000 1.113 205 F CA 1.502 59.545 58.000 0.071 0.000 1.214 205 F CB -0.594 38.291 39.000 -0.191 0.000 0.978 205 F HN -0.012 nan 8.300 nan 0.000 0.474 206 A N 0.036 122.791 122.820 -0.108 0.000 1.917 206 A HA -0.254 -2.060 4.320 -10.211 0.000 0.219 206 A C 2.212 179.739 177.584 -0.094 0.000 1.182 206 A CA 1.846 53.775 52.037 -0.179 0.000 0.633 206 A CB -1.725 17.308 19.000 0.056 0.000 0.819 206 A HN 0.586 nan 8.150 nan 0.000 0.448 207 F N 0.636 120.555 119.950 -0.052 0.000 2.113 207 F HA -0.122 -1.722 4.527 -10.211 0.000 0.297 207 F C 2.316 178.075 175.800 -0.068 0.000 1.103 207 F CA 1.978 59.978 58.000 0.000 0.000 1.248 207 F CB -0.120 38.938 39.000 0.097 0.000 0.999 207 F HN 0.187 nan 8.300 nan 0.000 0.475 208 E N 0.444 120.618 120.200 -0.044 0.000 2.070 208 E HA -0.196 -1.972 4.350 -10.211 0.000 0.197 208 E C 2.394 178.821 176.600 -0.288 0.000 1.004 208 E CA 1.681 57.990 56.400 -0.152 0.000 0.805 208 E CB -0.750 28.935 29.700 -0.025 0.000 0.744 208 E HN 0.411 nan 8.360 nan 0.000 0.451 209 S N 1.014 116.472 115.700 -0.402 0.000 2.343 209 S HA -0.173 -1.830 4.470 -10.211 0.000 0.219 209 S C 2.075 176.466 174.600 -0.349 0.000 1.033 209 S CA 1.108 59.057 58.200 -0.418 0.000 1.014 209 S CB -0.382 62.435 63.200 -0.638 0.000 0.915 209 S HN 0.173 nan 8.310 nan 0.000 0.435 210 I N 2.446 122.811 120.570 -0.341 0.000 2.208 210 I HA -0.201 -2.157 4.170 -10.211 0.000 0.245 210 I C 2.488 178.381 176.117 -0.373 0.000 1.097 210 I CA 1.894 63.001 61.300 -0.323 0.000 1.363 210 I CB -0.885 36.982 38.000 -0.222 0.000 1.051 210 I HN 0.492 nan 8.210 nan 0.000 0.413 211 T N -2.031 112.264 114.554 -0.431 0.000 2.904 211 T HA -0.123 -1.899 4.350 -10.211 0.000 0.267 211 T C 1.890 176.466 174.700 -0.207 0.000 1.059 211 T CA 1.377 63.271 62.100 -0.344 0.000 1.137 211 T CB -0.703 67.828 68.868 -0.562 0.000 0.879 211 T HN 0.302 nan 8.240 nan 0.000 0.467 212 N N 1.570 120.135 118.700 -0.226 0.000 2.142 212 N HA -0.084 -1.470 4.740 -10.211 0.000 0.186 212 N C 1.987 177.413 175.510 -0.141 0.000 1.023 212 N CA 1.600 54.568 53.050 -0.136 0.000 0.852 212 N CB -0.399 38.022 38.487 -0.111 0.000 0.998 212 N HN 0.512 nan 8.380 nan 0.000 0.424 213 V N -1.580 118.189 119.914 -0.241 0.000 2.548 213 V HA 0.011 -1.995 4.120 -10.211 0.000 0.249 213 V C 2.061 177.989 176.094 -0.277 0.000 1.055 213 V CA 1.139 63.278 62.300 -0.269 0.000 1.065 213 V CB -0.573 30.861 31.823 -0.649 0.000 0.681 213 V HN 0.171 nan 8.190 nan 0.000 0.462 214 I N -0.780 119.526 120.570 -0.438 0.000 2.277 214 I HA -0.009 -1.965 4.170 -10.211 0.000 0.243 214 I C 2.223 177.884 176.117 -0.760 0.000 1.094 214 I CA 1.842 62.734 61.300 -0.680 0.000 1.393 214 I CB -0.156 37.229 38.000 -1.024 0.000 1.078 214 I HN 0.240 nan 8.210 nan 0.000 0.417 215 F N 0.233 120.007 119.950 -0.294 0.000 2.731 215 F HA 0.300 -1.299 4.527 -10.210 0.000 0.298 215 F C 1.761 177.525 175.800 -0.059 0.000 1.106 215 F CA 0.305 58.145 58.000 -0.266 0.000 1.329 215 F CB 0.065 38.925 39.000 -0.233 0.000 1.100 215 F HN 0.134 nan 8.300 nan 0.000 0.592 216 G N 1.533 110.352 108.800 0.030 0.000 2.258 216 G HA2 -0.290 -2.456 3.960 -10.211 0.000 0.274 216 G HA3 -0.290 -2.456 3.960 -10.211 0.000 0.274 216 G C -0.189 174.745 174.900 0.056 0.000 1.021 216 G CA 0.314 45.428 45.100 0.024 0.000 0.798 216 G HN 0.448 nan 8.290 nan 0.000 0.507 217 E N -0.779 119.461 120.200 0.068 0.000 2.340 217 E HA 0.477 -1.300 4.350 -10.211 0.000 0.273 217 E C -0.249 176.347 176.600 -0.007 0.000 0.891 217 E CA -1.244 55.178 56.400 0.037 0.000 0.757 217 E CB 1.465 31.194 29.700 0.048 0.000 1.231 217 E HN 0.043 nan 8.360 nan 0.000 0.439 218 R N 1.948 122.445 120.500 -0.005 0.000 2.340 218 R HA 0.135 -1.652 4.340 -10.211 0.000 0.300 218 R C 0.634 176.925 176.300 -0.015 0.000 1.069 218 R CA -0.201 55.895 56.100 -0.008 0.000 0.984 218 R CB 0.718 31.029 30.300 0.018 0.000 1.003 218 R HN 0.565 nan 8.270 nan 0.000 0.459 219 Q N 0.612 120.402 119.800 -0.016 0.000 2.424 219 Q HA 0.106 -1.680 4.340 -10.211 0.000 0.204 219 Q C 0.755 176.800 176.000 0.076 0.000 0.933 219 Q CA 0.682 56.497 55.803 0.020 0.000 0.929 219 Q CB 0.528 29.307 28.738 0.068 0.000 1.037 219 Q HN 0.999 nan 8.270 nan 0.000 0.511 220 G N 1.430 110.274 108.800 0.073 0.000 2.198 220 G HA2 -0.239 -2.406 3.960 -10.211 0.000 0.257 220 G HA3 -0.239 -2.406 3.960 -10.211 0.000 0.257 220 G C 0.630 175.590 174.900 0.100 0.000 1.042 220 G CA 0.536 45.682 45.100 0.077 0.000 0.791 220 G HN 0.169 nan 8.290 nan 0.000 0.502 221 M N -0.671 119.016 119.600 0.145 0.000 2.595 221 M HA 0.316 -1.331 4.480 -10.211 0.000 0.248 221 M C 2.158 178.550 176.300 0.153 0.000 1.119 221 M CA 0.609 56.006 55.300 0.160 0.000 1.079 221 M CB -0.406 32.340 32.600 0.243 0.000 1.472 221 M HN 0.401 nan 8.290 nan 0.000 0.501 222 L N -0.767 120.545 121.223 0.148 0.000 2.640 222 L HA 0.156 -1.630 4.340 -10.211 0.000 0.230 222 L C 0.442 177.353 176.870 0.067 0.000 1.123 222 L CA -0.064 54.859 54.840 0.138 0.000 0.900 222 L CB 0.120 42.300 42.059 0.202 0.000 1.146 222 L HN 0.205 nan 8.230 nan 0.000 0.484 223 E N 0.024 120.259 120.200 0.058 0.000 2.312 223 E HA 0.068 -1.708 4.350 -10.211 0.000 0.259 223 E C 0.691 177.300 176.600 0.015 0.000 1.122 223 E CA -0.280 56.138 56.400 0.029 0.000 0.922 223 E CB 0.992 30.711 29.700 0.032 0.000 1.109 223 E HN 0.073 nan 8.360 nan 0.000 0.442 224 E N -0.170 120.030 120.200 0.000 0.000 2.072 224 E HA -0.077 -1.854 4.350 -10.211 0.000 0.191 224 E C -0.042 176.557 176.600 -0.000 0.000 0.985 224 E CA 0.730 57.125 56.400 -0.010 0.000 0.801 224 E CB 0.278 29.968 29.700 -0.017 0.000 0.750 224 E HN 0.101 nan 8.360 nan 0.000 0.452 225 V N 1.945 121.863 119.914 0.006 0.000 2.370 225 V HA 0.194 -1.812 4.120 -10.211 0.000 0.283 225 V C -0.072 176.034 176.094 0.019 0.000 1.023 225 V CA -0.384 61.921 62.300 0.009 0.000 0.857 225 V CB 1.771 33.598 31.823 0.007 0.000 0.985 225 V HN -0.115 nan 8.190 nan 0.000 0.443 226 V N 4.312 124.238 119.914 0.019 0.000 2.769 226 V HA 0.412 -1.594 4.120 -10.211 0.000 0.312 226 V C 0.306 176.415 176.094 0.025 0.000 1.058 226 V CA -0.916 61.401 62.300 0.029 0.000 0.952 226 V CB 2.240 34.080 31.823 0.029 0.000 1.019 226 V HN 0.902 nan 8.190 nan 0.000 0.445 227 N N 6.059 124.780 118.700 0.036 0.000 2.423 227 N HA 0.095 -1.292 4.740 -10.211 0.000 0.275 227 N C -1.444 174.075 175.510 0.015 0.000 1.283 227 N CA -1.322 51.749 53.050 0.035 0.000 0.932 227 N CB 1.387 39.912 38.487 0.064 0.000 1.185 227 N HN 0.363 nan 8.380 nan 0.000 0.483 228 P HA -0.076 nan 4.420 nan 0.000 0.221 228 P C 0.563 177.855 177.300 -0.014 0.000 1.150 228 P CA 0.931 64.026 63.100 -0.008 0.000 0.800 228 P CB 0.579 32.275 31.700 -0.007 0.000 0.787 229 E N 0.171 120.371 120.200 -0.001 0.000 2.152 229 E HA -0.035 -1.812 4.350 -10.211 0.000 0.192 229 E C 2.122 178.728 176.600 0.011 0.000 0.983 229 E CA 1.080 57.480 56.400 0.000 0.000 0.818 229 E CB -0.725 28.975 29.700 0.000 0.000 0.758 229 E HN 0.232 nan 8.360 nan 0.000 0.467 230 A N 0.973 123.801 122.820 0.014 0.000 1.929 230 A HA -0.190 -1.996 4.320 -10.211 0.000 0.216 230 A C 2.181 179.640 177.584 -0.207 0.000 1.176 230 A CA 1.496 53.502 52.037 -0.052 0.000 0.628 230 A CB -0.347 18.654 19.000 0.003 0.000 0.816 230 A HN 0.120 nan 8.150 nan 0.000 0.444 231 Q N 0.026 119.746 119.800 -0.133 0.000 2.135 231 Q HA -0.133 -1.919 4.340 -10.211 0.000 0.204 231 Q C 2.133 178.062 176.000 -0.119 0.000 0.981 231 Q CA 1.925 57.648 55.803 -0.133 0.000 0.856 231 Q CB -0.320 28.374 28.738 -0.073 0.000 0.902 231 Q HN 0.633 nan 8.270 nan 0.000 0.425 232 R N -1.298 119.159 120.500 -0.072 0.000 2.096 232 R HA -0.120 -1.907 4.340 -10.211 0.000 0.235 232 R C 2.013 178.269 176.300 -0.073 0.000 1.127 232 R CA 1.314 57.374 56.100 -0.067 0.000 0.968 232 R CB -0.339 29.938 30.300 -0.039 0.000 0.861 232 R HN 0.362 nan 8.270 nan 0.000 0.440 233 F N 0.957 120.791 119.950 -0.194 0.000 2.113 233 F HA -0.143 -1.743 4.527 -10.211 0.000 0.297 233 F C 1.857 177.512 175.800 -0.242 0.000 1.103 233 F CA 1.388 59.271 58.000 -0.194 0.000 1.248 233 F CB -0.186 38.741 39.000 -0.122 0.000 0.999 233 F HN -0.086 nan 8.300 nan 0.000 0.475 234 I N 0.469 120.901 120.570 -0.230 0.000 2.151 234 I HA -0.361 -2.317 4.170 -10.211 0.000 0.243 234 I C 1.996 177.906 176.117 -0.345 0.000 1.080 234 I CA 1.798 62.921 61.300 -0.295 0.000 1.339 234 I CB -0.586 37.261 38.000 -0.255 0.000 1.039 234 I HN 0.124 nan 8.210 nan 0.000 0.409 235 D N 0.893 121.124 120.400 -0.281 0.000 2.144 235 D HA -0.146 -1.632 4.640 -10.211 0.000 0.199 235 D C 2.242 178.384 176.300 -0.263 0.000 0.984 235 D CA 1.498 55.353 54.000 -0.241 0.000 0.834 235 D CB -0.301 40.397 40.800 -0.169 0.000 0.955 235 D HN 0.375 nan 8.370 nan 0.000 0.465 236 A N 0.570 123.183 122.820 -0.345 0.000 1.940 236 A HA -0.156 -1.963 4.320 -10.211 0.000 0.219 236 A C 2.330 179.566 177.584 -0.580 0.000 1.176 236 A CA 0.926 52.702 52.037 -0.435 0.000 0.631 236 A CB -0.722 18.001 19.000 -0.462 0.000 0.814 236 A HN 0.193 nan 8.150 nan 0.000 0.446 237 I N -2.055 118.133 120.570 -0.636 0.000 2.179 237 I HA -0.278 -2.235 4.170 -10.211 0.000 0.242 237 I C 2.446 178.283 176.117 -0.467 0.000 1.088 237 I CA 1.854 62.746 61.300 -0.679 0.000 1.357 237 I CB -0.425 37.252 38.000 -0.537 0.000 1.051 237 I HN 0.549 nan 8.210 nan 0.000 0.409 238 Y N 1.432 121.509 120.300 -0.372 0.000 2.181 238 Y HA -0.288 -1.865 4.550 -10.212 0.000 0.288 238 Y C 2.619 178.436 175.900 -0.138 0.000 1.146 238 Y CA 1.536 59.518 58.100 -0.196 0.000 1.164 238 Y CB -0.235 38.013 38.460 -0.354 0.000 0.982 238 Y HN 0.147 nan 8.280 nan 0.000 0.515 239 Q N -0.207 119.396 119.800 -0.328 0.000 2.096 239 Q HA -0.234 -2.021 4.340 -10.211 0.000 0.204 239 Q C 2.438 178.243 176.000 -0.326 0.000 0.982 239 Q CA 1.757 57.371 55.803 -0.314 0.000 0.850 239 Q CB -0.670 27.925 28.738 -0.238 0.000 0.901 239 Q HN 0.537 nan 8.270 nan 0.000 0.422 240 M N -0.322 118.955 119.600 -0.539 0.000 2.080 240 M HA -0.174 -1.821 4.480 -10.211 0.000 0.260 240 M C 1.887 178.023 176.300 -0.273 0.000 1.068 240 M CA 1.590 56.465 55.300 -0.709 0.000 1.109 240 M CB -0.650 31.104 32.600 -1.410 0.000 1.342 240 M HN 0.154 nan 8.290 nan 0.000 0.405 241 F N -0.876 118.956 119.950 -0.196 0.000 2.060 241 F HA -0.274 -1.871 4.527 -10.207 0.000 0.295 241 F C 2.590 178.340 175.800 -0.084 0.000 1.120 241 F CA 1.599 59.578 58.000 -0.034 0.000 1.205 241 F CB -0.876 38.075 39.000 -0.081 0.000 0.986 241 F HN 0.331 nan 8.300 nan 0.000 0.470 242 H N 0.482 119.442 119.070 -0.184 0.000 2.289 242 H HA -0.208 -1.779 4.556 -10.211 0.000 0.296 242 H C 2.284 177.574 175.328 -0.063 0.000 1.091 242 H CA 2.533 58.430 56.048 -0.252 0.000 1.274 242 H CB -0.645 28.776 29.762 -0.569 0.000 1.364 242 H HN 0.217 nan 8.280 nan 0.000 0.490 243 T N -2.644 111.879 114.554 -0.052 0.000 3.113 243 T HA -0.026 -1.803 4.350 -10.211 0.000 0.263 243 T C 2.042 176.723 174.700 -0.031 0.000 1.143 243 T CA 0.866 62.950 62.100 -0.027 0.000 1.090 243 T CB -0.338 68.586 68.868 0.093 0.000 0.922 243 T HN 0.257 nan 8.240 nan 0.000 0.521 244 S N 1.035 116.761 115.700 0.044 0.000 2.406 244 S HA -0.005 -1.661 4.470 -10.211 0.000 0.228 244 S C 2.141 176.717 174.600 -0.039 0.000 1.020 244 S CA 0.801 58.995 58.200 -0.012 0.000 0.965 244 S CB -0.437 62.920 63.200 0.262 0.000 0.798 244 S HN 0.434 nan 8.310 nan 0.000 0.488 245 V N 2.808 122.704 119.914 -0.030 0.000 2.255 245 V HA -0.118 -2.124 4.120 -10.211 0.000 0.247 245 V C -0.785 175.294 176.094 -0.025 0.000 1.051 245 V CA 1.729 64.039 62.300 0.017 0.000 1.018 245 V CB -1.901 29.926 31.823 0.007 0.000 0.641 245 V HN 0.326 nan 8.190 nan 0.000 0.445 246 P HA -0.109 nan 4.420 nan 0.000 0.223 246 P C 1.380 178.681 177.300 0.002 0.000 1.144 246 P CA 1.421 64.454 63.100 -0.112 0.000 0.783 246 P CB -0.095 31.543 31.700 -0.104 0.000 0.771 247 M N -2.595 116.993 119.600 -0.020 0.000 2.356 247 M HA 0.115 -1.532 4.480 -10.211 0.000 0.262 247 M C 1.252 177.613 176.300 0.101 0.000 1.097 247 M CA -0.081 55.198 55.300 -0.035 0.000 0.991 247 M CB -0.017 32.304 32.600 -0.465 0.000 1.450 247 M HN -0.073 nan 8.290 nan 0.000 0.495 248 L N 1.215 122.543 121.223 0.175 0.000 2.141 248 L HA -0.031 -1.817 4.340 -10.211 0.000 0.209 248 L C 1.329 178.396 176.870 0.329 0.000 1.094 248 L CA 1.706 56.694 54.840 0.247 0.000 0.763 248 L CB -0.163 42.072 42.059 0.295 0.000 0.908 248 L HN 0.300 nan 8.230 nan 0.000 0.437 249 N N -0.548 118.368 118.700 0.360 0.000 2.273 249 N HA 0.243 -1.143 4.740 -10.211 0.000 0.231 249 N C -0.691 175.013 175.510 0.323 0.000 1.134 249 N CA 0.067 53.301 53.050 0.307 0.000 0.856 249 N CB 0.761 39.406 38.487 0.263 0.000 1.068 249 N HN 0.248 nan 8.380 nan 0.000 0.510 250 L N 1.489 122.965 121.223 0.420 0.000 2.362 250 L HA 0.549 -1.238 4.340 -10.211 0.000 0.271 250 L C -2.215 174.909 176.870 0.424 0.000 1.002 250 L CA -1.913 53.210 54.840 0.471 0.000 0.818 250 L CB 2.142 44.534 42.059 0.556 0.000 1.298 250 L HN -0.176 nan 8.230 nan 0.000 0.420 251 P HA 0.163 nan 4.420 nan 0.000 0.274 251 P C -2.307 174.827 177.300 -0.277 0.000 1.237 251 P CA -1.451 61.708 63.100 0.098 0.000 0.793 251 P CB 0.307 32.065 31.700 0.098 0.000 0.977 252 P HA -0.187 nan 4.420 nan 0.000 0.218 252 P C 0.954 177.626 177.300 -1.047 0.000 1.148 252 P CA 1.392 63.671 63.100 -1.367 0.000 0.822 252 P CB -0.024 31.314 31.700 -0.603 0.000 0.784 253 D N -0.403 119.694 120.400 -0.505 0.000 2.182 253 D HA -0.106 -1.593 4.640 -10.211 0.000 0.201 253 D C 2.029 178.153 176.300 -0.294 0.000 0.986 253 D CA 0.972 54.771 54.000 -0.335 0.000 0.847 253 D CB -0.423 40.272 40.800 -0.175 0.000 0.942 253 D HN 0.245 nan 8.370 nan 0.000 0.467 254 L N -0.214 120.879 121.223 -0.217 0.000 2.249 254 L HA -0.001 -1.787 4.340 -10.211 0.000 0.207 254 L C 2.157 179.086 176.870 0.097 0.000 1.090 254 L CA 0.280 55.138 54.840 0.030 0.000 0.802 254 L CB -0.310 41.881 42.059 0.221 0.000 0.947 254 L HN 0.045 nan 8.230 nan 0.000 0.453 255 F N -0.267 119.703 119.950 0.034 0.000 2.367 255 F HA 0.078 -1.521 4.527 -10.210 0.000 0.298 255 F C 2.312 178.036 175.800 -0.126 0.000 1.094 255 F CA 0.167 58.179 58.000 0.019 0.000 1.409 255 F CB -0.944 38.090 39.000 0.058 0.000 1.064 255 F HN -0.188 nan 8.300 nan 0.000 0.528 256 R N 0.341 120.708 120.500 -0.220 0.000 2.249 256 R HA -0.072 -1.858 4.340 -10.211 0.000 0.230 256 R C 1.528 177.742 176.300 -0.145 0.000 1.121 256 R CA 1.252 57.192 56.100 -0.266 0.000 0.997 256 R CB -0.401 29.642 30.300 -0.428 0.000 0.867 256 R HN 0.396 nan 8.270 nan 0.000 0.465 257 L N -2.081 119.024 121.223 -0.196 0.000 2.653 257 L HA 0.237 -1.550 4.340 -10.211 0.000 0.230 257 L C 0.960 177.525 176.870 -0.508 0.000 1.055 257 L CA 1.073 55.669 54.840 -0.406 0.000 0.880 257 L CB 0.451 42.136 42.059 -0.623 0.000 1.195 257 L HN -0.094 nan 8.230 nan 0.000 0.492 258 F N -1.062 118.928 119.950 0.066 0.000 2.724 258 F HA 0.339 -1.260 4.527 -10.211 0.000 0.306 258 F C 1.213 177.083 175.800 0.117 0.000 1.100 258 F CA -0.258 57.795 58.000 0.089 0.000 1.255 258 F CB 0.441 39.501 39.000 0.100 0.000 1.072 258 F HN -0.209 nan 8.300 nan 0.000 0.589 259 R N -0.101 120.572 120.500 0.289 0.000 2.659 259 R HA 0.219 -1.567 4.340 -10.211 0.000 0.418 259 R C 0.998 177.456 176.300 0.263 0.000 1.076 259 R CA 0.204 56.456 56.100 0.253 0.000 1.093 259 R CB -0.552 29.910 30.300 0.269 0.000 1.400 259 R HN 0.097 nan 8.270 nan 0.000 0.583 260 T N 1.137 115.818 114.554 0.212 0.000 2.653 260 T HA -0.235 -2.011 4.350 -10.211 0.000 0.268 260 T C 1.765 176.623 174.700 0.264 0.000 1.035 260 T CA 1.555 63.797 62.100 0.236 0.000 1.154 260 T CB 0.175 69.124 68.868 0.135 0.000 0.862 260 T HN 0.280 nan 8.240 nan 0.000 0.441 261 K N 0.303 120.812 120.400 0.182 0.000 2.026 261 K HA -0.126 -1.933 4.320 -10.211 0.000 0.208 261 K C 2.491 179.179 176.600 0.147 0.000 1.048 261 K CA 1.564 57.936 56.287 0.142 0.000 0.929 261 K CB -0.402 32.158 32.500 0.100 0.000 0.713 261 K HN 0.254 nan 8.250 nan 0.000 0.439 262 T N 0.968 115.617 114.554 0.157 0.000 2.720 262 T HA -0.193 -1.969 4.350 -10.211 0.000 0.268 262 T C 1.216 176.037 174.700 0.202 0.000 1.037 262 T CA 1.424 63.605 62.100 0.135 0.000 1.144 262 T CB -0.333 68.590 68.868 0.093 0.000 0.864 262 T HN 0.506 nan 8.240 nan 0.000 0.444 263 W N 2.171 123.526 121.300 0.091 0.000 2.358 263 W HA -0.096 -1.563 4.660 -10.212 0.000 0.303 263 W C 2.131 178.765 176.519 0.193 0.000 1.208 263 W CA 1.119 58.554 57.345 0.150 0.000 1.274 263 W CB -0.286 29.300 29.460 0.210 0.000 1.138 263 W HN 0.183 nan 8.180 nan 0.000 0.515 264 K N 0.333 120.785 120.400 0.086 0.000 2.032 264 K HA -0.229 -2.035 4.320 -10.211 0.000 0.209 264 K C 1.508 178.046 176.600 -0.103 0.000 1.048 264 K CA 2.240 58.503 56.287 -0.039 0.000 0.927 264 K CB -0.424 32.124 32.500 0.081 0.000 0.712 264 K HN 0.007 nan 8.250 nan 0.000 0.441 265 D N -0.836 119.547 120.400 -0.028 0.000 2.144 265 D HA -0.146 -1.633 4.640 -10.211 0.000 0.200 265 D C 1.838 178.081 176.300 -0.096 0.000 0.978 265 D CA 1.112 55.083 54.000 -0.047 0.000 0.833 265 D CB -0.331 40.470 40.800 0.002 0.000 0.961 265 D HN 0.350 nan 8.370 nan 0.000 0.470 266 H N 0.397 119.359 119.070 -0.179 0.000 2.353 266 H HA -0.055 -1.625 4.556 -10.211 0.000 0.300 266 H C 1.967 177.112 175.328 -0.305 0.000 1.090 266 H CA 1.330 57.253 56.048 -0.209 0.000 1.327 266 H CB -0.200 29.507 29.762 -0.091 0.000 1.383 266 H HN -0.106 nan 8.280 nan 0.000 0.508 267 V N 0.663 120.326 119.914 -0.419 0.000 2.287 267 V HA -0.299 -2.306 4.120 -10.211 0.000 0.248 267 V C 2.722 178.617 176.094 -0.331 0.000 1.053 267 V CA 1.791 63.823 62.300 -0.447 0.000 1.027 267 V CB -1.299 30.226 31.823 -0.497 0.000 0.646 267 V HN 0.695 nan 8.190 nan 0.000 0.447 268 A N -0.155 122.511 122.820 -0.257 0.000 1.940 268 A HA -0.147 -1.954 4.320 -10.211 0.000 0.219 268 A C 2.409 179.850 177.584 -0.238 0.000 1.176 268 A CA 2.230 54.151 52.037 -0.194 0.000 0.631 268 A CB -0.742 18.175 19.000 -0.139 0.000 0.814 268 A HN 0.589 nan 8.150 nan 0.000 0.446 269 A N -1.514 121.102 122.820 -0.340 0.000 1.873 269 A HA -0.127 -1.933 4.320 -10.211 0.000 0.215 269 A C 2.001 179.258 177.584 -0.546 0.000 1.186 269 A CA 1.272 53.035 52.037 -0.456 0.000 0.616 269 A CB -0.917 17.752 19.000 -0.553 0.000 0.823 269 A HN 0.736 nan 8.150 nan 0.000 0.442 270 W N 0.433 121.306 121.300 -0.712 0.000 2.363 270 W HA -0.132 -1.599 4.660 -10.211 0.000 0.296 270 W C 1.811 178.169 176.519 -0.269 0.000 1.212 270 W CA 0.952 57.860 57.345 -0.729 0.000 1.260 270 W CB -0.079 28.421 29.460 -1.600 0.000 1.131 270 W HN 0.328 nan 8.180 nan 0.000 0.530 271 D N -0.230 120.167 120.400 -0.005 0.000 2.117 271 D HA -0.173 -1.659 4.640 -10.211 0.000 0.197 271 D C 2.230 178.575 176.300 0.075 0.000 0.987 271 D CA 1.540 55.595 54.000 0.091 0.000 0.829 271 D CB -0.729 40.060 40.800 -0.018 0.000 0.961 271 D HN -0.001 nan 8.370 nan 0.000 0.460 272 V N 1.163 121.057 119.914 -0.033 0.000 2.343 272 V HA -0.215 -2.221 4.120 -10.211 0.000 0.247 272 V C 2.537 178.665 176.094 0.056 0.000 1.051 272 V CA 1.071 63.357 62.300 -0.023 0.000 1.036 272 V CB -0.354 31.406 31.823 -0.106 0.000 0.654 272 V HN 0.193 nan 8.190 nan 0.000 0.451 273 I N -1.093 119.444 120.570 -0.055 0.000 2.226 273 I HA -0.257 -2.213 4.170 -10.211 0.000 0.245 273 I C 2.292 178.505 176.117 0.160 0.000 1.100 273 I CA 1.948 63.232 61.300 -0.027 0.000 1.374 273 I CB -0.340 37.423 38.000 -0.394 0.000 1.057 273 I HN 0.217 nan 8.210 nan 0.000 0.413 274 F N 0.464 120.511 119.950 0.161 0.000 2.234 274 F HA -0.146 -1.745 4.527 -10.210 0.000 0.296 274 F C 2.750 178.603 175.800 0.089 0.000 1.089 274 F CA 1.229 59.321 58.000 0.153 0.000 1.343 274 F CB -0.310 38.779 39.000 0.148 0.000 1.040 274 F HN -0.065 nan 8.300 nan 0.000 0.498 275 S N 0.076 115.915 115.700 0.232 0.000 2.353 275 S HA -0.231 -1.887 4.470 -10.211 0.000 0.222 275 S C 1.896 176.494 174.600 -0.004 0.000 1.035 275 S CA 1.473 59.733 58.200 0.100 0.000 1.025 275 S CB -0.306 62.926 63.200 0.052 0.000 0.902 275 S HN 0.155 nan 8.310 nan 0.000 0.440 276 K N 1.652 122.027 120.400 -0.041 0.000 2.057 276 K HA 0.177 -1.629 4.320 -10.211 0.000 0.206 276 K C 2.216 178.521 176.600 -0.492 0.000 1.050 276 K CA 1.115 57.197 56.287 -0.342 0.000 0.935 276 K CB -0.678 31.673 32.500 -0.248 0.000 0.715 276 K HN 0.320 nan 8.250 nan 0.000 0.439 277 A N 1.108 123.849 122.820 -0.131 0.000 1.898 277 A HA -0.190 -1.997 4.320 -10.211 0.000 0.216 277 A C 1.623 179.241 177.584 0.057 0.000 1.181 277 A CA 2.025 54.070 52.037 0.013 0.000 0.620 277 A CB -0.656 18.394 19.000 0.082 0.000 0.819 277 A HN 0.238 nan 8.150 nan 0.000 0.442 278 D N 0.149 120.588 120.400 0.066 0.000 2.087 278 D HA -0.158 -1.645 4.640 -10.211 0.000 0.192 278 D C 1.780 178.129 176.300 0.083 0.000 0.993 278 D CA 1.444 55.509 54.000 0.108 0.000 0.828 278 D CB -0.406 40.474 40.800 0.135 0.000 0.968 278 D HN 0.486 nan 8.370 nan 0.000 0.448 279 I N -0.075 120.481 120.570 -0.024 0.000 2.151 279 I HA -0.357 -2.313 4.170 -10.211 0.000 0.243 279 I C 2.172 178.296 176.117 0.012 0.000 1.080 279 I CA 1.322 62.595 61.300 -0.046 0.000 1.339 279 I CB -0.384 37.518 38.000 -0.163 0.000 1.039 279 I HN 0.155 nan 8.210 nan 0.000 0.409 280 Y N 0.519 120.784 120.300 -0.058 0.000 2.097 280 Y HA -0.299 -1.876 4.550 -10.211 0.000 0.282 280 Y C 2.934 178.815 175.900 -0.032 0.000 1.152 280 Y CA 1.445 59.416 58.100 -0.215 0.000 1.136 280 Y CB -0.830 37.336 38.460 -0.491 0.000 0.975 280 Y HN 0.162 nan 8.280 nan 0.000 0.498 281 T N -0.100 114.639 114.554 0.308 0.000 2.708 281 T HA -0.221 -1.998 4.350 -10.211 0.000 0.266 281 T C 1.680 176.649 174.700 0.448 0.000 1.037 281 T CA 1.608 63.937 62.100 0.381 0.000 1.146 281 T CB -0.333 68.671 68.868 0.226 0.000 0.865 281 T HN 0.414 nan 8.240 nan 0.000 0.435 282 Q N 0.699 120.720 119.800 0.369 0.000 2.046 282 Q HA -0.072 -1.858 4.340 -10.211 0.000 0.200 282 Q C 2.428 178.684 176.000 0.426 0.000 0.975 282 Q CA 0.986 57.010 55.803 0.368 0.000 0.836 282 Q CB -0.249 28.667 28.738 0.296 0.000 0.896 282 Q HN 0.429 nan 8.270 nan 0.000 0.428 283 N N 0.965 119.872 118.700 0.345 0.000 2.036 283 N HA -0.194 -1.580 4.740 -10.211 0.000 0.195 283 N C 1.471 177.177 175.510 0.325 0.000 1.037 283 N CA 1.171 54.408 53.050 0.311 0.000 0.855 283 N CB -0.639 37.970 38.487 0.202 0.000 1.033 283 N HN 0.183 nan 8.380 nan 0.000 0.423 284 F N 0.620 120.687 119.950 0.194 0.000 2.120 284 F HA -0.277 -1.876 4.527 -10.210 0.000 0.300 284 F C 2.436 178.354 175.800 0.196 0.000 1.095 284 F CA 1.360 59.471 58.000 0.186 0.000 1.249 284 F CB -0.514 38.636 39.000 0.249 0.000 0.995 284 F HN 0.106 nan 8.300 nan 0.000 0.480 285 Y N -0.875 119.596 120.300 0.285 0.000 2.181 285 Y HA -0.278 -1.854 4.550 -10.211 0.000 0.288 285 Y C 1.963 177.729 175.900 -0.224 0.000 1.146 285 Y CA 2.095 60.199 58.100 0.006 0.000 1.164 285 Y CB -0.787 37.601 38.460 -0.120 0.000 0.982 285 Y HN 0.150 nan 8.280 nan 0.000 0.515 286 W N 0.590 122.025 121.300 0.225 0.000 2.453 286 W HA -0.036 -1.502 4.660 -10.210 0.000 0.289 286 W C 2.267 178.763 176.519 -0.039 0.000 1.215 286 W CA 1.124 58.519 57.345 0.084 0.000 1.297 286 W CB -0.115 29.425 29.460 0.132 0.000 1.113 286 W HN 0.032 nan 8.180 nan 0.000 0.551 287 E N 0.124 120.408 120.200 0.140 0.000 2.204 287 E HA -0.201 -1.977 4.350 -10.211 0.000 0.194 287 E C 1.986 178.513 176.600 -0.122 0.000 0.989 287 E CA 0.738 57.137 56.400 -0.002 0.000 0.824 287 E CB -0.290 29.380 29.700 -0.051 0.000 0.756 287 E HN 0.129 nan 8.360 nan 0.000 0.477 288 L N 0.852 121.925 121.223 -0.249 0.000 2.079 288 L HA -0.181 -1.968 4.340 -10.211 0.000 0.210 288 L C 2.039 178.819 176.870 -0.151 0.000 1.081 288 L CA 1.752 56.430 54.840 -0.269 0.000 0.752 288 L CB -0.013 41.832 42.059 -0.357 0.000 0.896 288 L HN -0.085 nan 8.230 nan 0.000 0.433 289 R N -1.751 118.671 120.500 -0.132 0.000 2.161 289 R HA -0.023 -1.810 4.340 -10.211 0.000 0.213 289 R C 2.193 178.510 176.300 0.029 0.000 1.055 289 R CA 0.807 56.872 56.100 -0.058 0.000 0.996 289 R CB -0.043 30.234 30.300 -0.038 0.000 0.901 289 R HN 0.499 nan 8.270 nan 0.000 0.456 290 Q N 0.229 120.060 119.800 0.052 0.000 2.049 290 Q HA -0.086 -1.872 4.340 -10.211 0.000 0.198 290 Q C 1.383 177.399 176.000 0.028 0.000 0.971 290 Q CA 1.277 57.109 55.803 0.048 0.000 0.833 290 Q CB 0.146 28.915 28.738 0.052 0.000 0.896 290 Q HN 0.122 nan 8.270 nan 0.000 0.434 291 K N 0.493 120.905 120.400 0.020 0.000 2.487 291 K HA 0.074 -1.733 4.320 -10.211 0.000 0.192 291 K C 0.530 177.170 176.600 0.066 0.000 1.027 291 K CA 0.165 56.477 56.287 0.043 0.000 1.054 291 K CB 0.103 32.631 32.500 0.046 0.000 0.824 291 K HN 0.166 nan 8.250 nan 0.000 0.510 292 G N 2.005 110.828 108.800 0.038 0.000 2.859 292 G HA2 -0.193 -2.359 3.960 -10.211 0.000 0.327 292 G HA3 -0.193 -2.359 3.960 -10.211 0.000 0.327 292 G C -0.321 174.605 174.900 0.043 0.000 0.283 292 G CA 0.633 45.752 45.100 0.033 0.000 1.236 292 G HN 0.181 nan 8.290 nan 0.000 0.291 293 S N 0.483 116.236 115.700 0.088 0.000 2.595 293 S HA 0.610 -1.046 4.470 -10.211 0.000 0.281 293 S C 0.014 174.662 174.600 0.080 0.000 1.117 293 S CA -0.749 57.461 58.200 0.016 0.000 0.873 293 S CB 1.760 64.892 63.200 -0.114 0.000 1.108 293 S HN 0.607 nan 8.310 nan 0.000 0.477 294 V N 4.488 124.417 119.914 0.025 0.000 2.715 294 V HA 0.362 -1.645 4.120 -10.211 0.000 0.299 294 V C -0.013 176.084 176.094 0.004 0.000 1.054 294 V CA -0.012 62.339 62.300 0.085 0.000 1.077 294 V CB 0.419 32.270 31.823 0.047 0.000 0.972 294 V HN 0.806 nan 8.190 nan 0.000 0.484 295 H N 3.280 122.431 119.070 0.136 0.000 2.538 295 H HA 0.431 -1.139 4.556 -10.210 0.000 0.353 295 H C 0.229 175.585 175.328 0.045 0.000 1.109 295 H CA -0.530 55.575 56.048 0.095 0.000 1.192 295 H CB 1.961 31.685 29.762 -0.063 0.000 1.555 295 H HN 0.772 nan 8.280 nan 0.000 0.518 296 H N 0.568 119.686 119.070 0.080 0.000 2.553 296 H HA -0.043 -1.613 4.556 -10.211 0.000 0.276 296 H C 0.076 175.441 175.328 0.062 0.000 0.979 296 H CA 0.018 56.103 56.048 0.062 0.000 1.268 296 H CB 0.975 30.756 29.762 0.033 0.000 1.450 296 H HN 0.649 nan 8.280 nan 0.000 0.527 297 D N 0.882 121.391 120.400 0.182 0.000 2.382 297 D HA -0.127 -1.613 4.640 -10.211 0.000 0.245 297 D C -0.022 176.310 176.300 0.053 0.000 1.120 297 D CA -0.309 53.760 54.000 0.115 0.000 0.890 297 D CB 0.667 41.524 40.800 0.094 0.000 1.201 297 D HN 0.135 nan 8.370 nan 0.000 0.433 298 Y N 1.931 122.206 120.300 -0.043 0.000 2.526 298 Y HA 0.048 -1.528 4.550 -10.210 0.000 0.330 298 Y C 0.958 176.771 175.900 -0.145 0.000 1.156 298 Y CA 0.112 58.161 58.100 -0.085 0.000 1.419 298 Y CB 0.676 39.115 38.460 -0.035 0.000 1.250 298 Y HN 0.262 nan 8.280 nan 0.000 0.540 299 R N 3.965 123.886 120.500 -0.964 0.000 2.335 299 R HA 0.381 -1.406 4.340 -10.211 0.000 0.210 299 R C 0.460 176.364 176.300 -0.659 0.000 0.892 299 R CA 0.483 56.116 56.100 -0.779 0.000 1.048 299 R CB 0.202 29.827 30.300 -1.124 0.000 1.067 299 R HN 0.967 nan 8.270 nan 0.000 0.524 300 G N 0.316 108.393 108.800 -1.204 0.000 2.354 300 G HA2 -0.117 -2.283 3.960 -10.211 0.000 0.582 300 G HA3 -0.117 -2.283 3.960 -10.211 0.000 0.582 300 G C 0.435 175.202 174.900 -0.222 0.000 1.316 300 G CA -0.596 44.185 45.100 -0.530 0.000 0.995 300 G HN -0.038 nan 8.290 nan 0.000 0.573 301 I N -0.093 120.453 120.570 -0.040 0.000 2.202 301 I HA -0.057 -2.013 4.170 -10.211 0.000 0.242 301 I C 2.805 178.866 176.117 -0.093 0.000 1.091 301 I CA 1.359 62.667 61.300 0.012 0.000 1.368 301 I CB -0.254 37.727 38.000 -0.033 0.000 1.058 301 I HN 0.421 nan 8.210 nan 0.000 0.410 302 L N 0.193 121.247 121.223 -0.282 0.000 2.046 302 L HA -0.272 -2.058 4.340 -10.211 0.000 0.208 302 L C 2.481 179.303 176.870 -0.080 0.000 1.077 302 L CA 1.883 56.530 54.840 -0.322 0.000 0.747 302 L CB -1.017 40.600 42.059 -0.735 0.000 0.896 302 L HN 0.260 nan 8.230 nan 0.000 0.432 303 Y N 0.103 120.352 120.300 -0.085 0.000 2.114 303 Y HA -0.302 -1.878 4.550 -10.211 0.000 0.282 303 Y C 2.651 178.572 175.900 0.034 0.000 1.165 303 Y CA 1.947 60.124 58.100 0.129 0.000 1.148 303 Y CB -0.090 38.422 38.460 0.086 0.000 0.972 303 Y HN 0.120 nan 8.280 nan 0.000 0.504 304 R N 0.060 120.678 120.500 0.197 0.000 2.092 304 R HA -0.131 -1.918 4.340 -10.211 0.000 0.231 304 R C 2.264 178.582 176.300 0.031 0.000 1.119 304 R CA 1.587 57.767 56.100 0.134 0.000 0.970 304 R CB -0.797 29.606 30.300 0.173 0.000 0.864 304 R HN 0.444 nan 8.270 nan 0.000 0.440 305 L N 0.339 121.569 121.223 0.012 0.000 2.044 305 L HA -0.108 -1.894 4.340 -10.211 0.000 0.205 305 L C 2.471 179.340 176.870 -0.001 0.000 1.075 305 L CA 0.977 55.814 54.840 -0.005 0.000 0.747 305 L CB -0.466 41.577 42.059 -0.027 0.000 0.903 305 L HN 0.094 nan 8.230 nan 0.000 0.435 306 L N -0.424 120.805 121.223 0.010 0.000 2.131 306 L HA -0.111 -1.898 4.340 -10.211 0.000 0.210 306 L C 2.566 179.396 176.870 -0.067 0.000 1.092 306 L CA 1.233 56.093 54.840 0.033 0.000 0.759 306 L CB -0.963 41.156 42.059 0.100 0.000 0.903 306 L HN 0.328 nan 8.230 nan 0.000 0.435 307 G N -1.399 107.309 108.800 -0.155 0.000 2.396 307 G HA2 -0.182 -2.349 3.960 -10.211 0.000 0.214 307 G HA3 -0.182 -2.349 3.960 -10.211 0.000 0.214 307 G C 0.423 175.267 174.900 -0.094 0.000 1.166 307 G CA 0.570 45.550 45.100 -0.201 0.000 0.793 307 G HN 0.289 nan 8.290 nan 0.000 0.533 308 D N -0.756 119.614 120.400 -0.050 0.000 3.220 308 D HA 0.278 -1.208 4.640 -10.211 0.000 0.309 308 D C -0.942 175.352 176.300 -0.010 0.000 1.276 308 D CA -0.295 53.691 54.000 -0.023 0.000 0.736 308 D CB 0.256 41.049 40.800 -0.011 0.000 1.304 308 D HN 0.043 nan 8.370 nan 0.000 0.582 309 S N -0.104 115.592 115.700 -0.008 0.000 2.568 309 S HA 0.391 -1.266 4.470 -10.211 0.000 0.302 309 S C 1.035 175.633 174.600 -0.004 0.000 1.082 309 S CA -0.557 57.640 58.200 -0.006 0.000 1.009 309 S CB 1.474 64.671 63.200 -0.005 0.000 1.069 309 S HN 0.129 nan 8.310 nan 0.000 0.500 310 K N 1.871 122.266 120.400 -0.010 0.000 2.439 310 K HA 0.129 -1.677 4.320 -10.211 0.000 0.197 310 K C 0.407 177.005 176.600 -0.003 0.000 1.041 310 K CA 0.622 56.904 56.287 -0.008 0.000 0.970 310 K CB -0.069 32.421 32.500 -0.016 0.000 0.773 310 K HN 0.549 nan 8.250 nan 0.000 0.479 311 M N 1.247 120.845 119.600 -0.004 0.000 2.242 311 M HA 0.011 -1.635 4.480 -10.211 0.000 0.344 311 M C 0.533 176.850 176.300 0.028 0.000 1.140 311 M CA -0.159 55.142 55.300 0.001 0.000 1.160 311 M CB 1.274 33.864 32.600 -0.015 0.000 1.491 311 M HN 0.005 nan 8.290 nan 0.000 0.459 312 S N 1.412 117.134 115.700 0.037 0.000 2.632 312 S HA 0.181 -1.475 4.470 -10.211 0.000 0.267 312 S C 0.640 175.303 174.600 0.104 0.000 1.276 312 S CA -0.728 57.519 58.200 0.079 0.000 0.998 312 S CB 0.568 63.811 63.200 0.072 0.000 0.953 312 S HN 0.708 nan 8.310 nan 0.000 0.547 313 F N 1.599 121.557 119.950 0.012 0.000 2.126 313 F HA -0.059 -1.658 4.527 -10.210 0.000 0.299 313 F C 2.084 177.887 175.800 0.004 0.000 1.096 313 F CA 2.052 60.056 58.000 0.006 0.000 1.255 313 F CB -0.623 38.359 39.000 -0.029 0.000 0.997 313 F HN 0.675 nan 8.300 nan 0.000 0.479 314 E N 0.690 120.928 120.200 0.064 0.000 2.065 314 E HA -0.246 -2.023 4.350 -10.211 0.000 0.201 314 E C 1.985 178.537 176.600 -0.079 0.000 1.016 314 E CA 1.948 58.343 56.400 -0.008 0.000 0.818 314 E CB -0.636 29.103 29.700 0.065 0.000 0.749 314 E HN 0.451 nan 8.360 nan 0.000 0.453 315 D N -0.230 120.143 120.400 -0.045 0.000 2.117 315 D HA -0.086 -1.572 4.640 -10.211 0.000 0.198 315 D C 2.140 178.388 176.300 -0.088 0.000 0.982 315 D CA 0.689 54.665 54.000 -0.041 0.000 0.828 315 D CB -0.201 40.589 40.800 -0.017 0.000 0.967 315 D HN 0.176 nan 8.370 nan 0.000 0.464 316 I N 1.070 121.559 120.570 -0.136 0.000 2.127 316 I HA -0.264 -2.220 4.170 -10.211 0.000 0.241 316 I C 2.547 178.530 176.117 -0.223 0.000 1.075 316 I CA 1.136 62.336 61.300 -0.167 0.000 1.334 316 I CB -0.189 37.714 38.000 -0.160 0.000 1.040 316 I HN -0.063 nan 8.210 nan 0.000 0.405 317 K N 1.257 121.427 120.400 -0.384 0.000 2.147 317 K HA -0.164 -1.970 4.320 -10.211 0.000 0.205 317 K C 2.108 178.649 176.600 -0.098 0.000 1.049 317 K CA 1.461 57.557 56.287 -0.318 0.000 0.936 317 K CB -0.048 32.127 32.500 -0.543 0.000 0.722 317 K HN 0.317 nan 8.250 nan 0.000 0.446 318 A N 1.813 124.605 122.820 -0.048 0.000 1.902 318 A HA -0.164 -1.971 4.320 -10.211 0.000 0.217 318 A C 1.852 179.459 177.584 0.038 0.000 1.181 318 A CA 1.557 53.635 52.037 0.068 0.000 0.623 318 A CB -0.454 18.598 19.000 0.086 0.000 0.818 318 A HN 0.374 nan 8.150 nan 0.000 0.443 319 N N 0.037 118.731 118.700 -0.010 0.000 2.270 319 N HA -0.085 -1.471 4.740 -10.211 0.000 0.181 319 N C 1.759 177.244 175.510 -0.041 0.000 1.016 319 N CA 1.381 54.422 53.050 -0.014 0.000 0.870 319 N CB -0.333 38.138 38.487 -0.028 0.000 0.979 319 N HN 0.257 nan 8.380 nan 0.000 0.431 320 V N 1.617 121.483 119.914 -0.079 0.000 2.287 320 V HA -0.235 -2.242 4.120 -10.211 0.000 0.248 320 V C 2.251 178.324 176.094 -0.035 0.000 1.053 320 V CA 1.838 64.075 62.300 -0.105 0.000 1.027 320 V CB -0.993 30.756 31.823 -0.124 0.000 0.646 320 V HN 0.347 nan 8.190 nan 0.000 0.447 321 T N -0.364 114.182 114.554 -0.013 0.000 2.684 321 T HA -0.245 -2.021 4.350 -10.211 0.000 0.267 321 T C 1.776 176.474 174.700 -0.003 0.000 1.036 321 T CA 1.917 64.001 62.100 -0.027 0.000 1.148 321 T CB -0.279 68.475 68.868 -0.190 0.000 0.863 321 T HN 0.621 nan 8.240 nan 0.000 0.436 322 E N 0.546 120.754 120.200 0.014 0.000 2.072 322 E HA 0.001 -1.775 4.350 -10.211 0.000 0.191 322 E C 2.277 178.910 176.600 0.055 0.000 0.985 322 E CA 0.850 57.283 56.400 0.055 0.000 0.801 322 E CB -0.224 29.532 29.700 0.094 0.000 0.750 322 E HN 0.460 nan 8.360 nan 0.000 0.452 323 M N 0.503 120.117 119.600 0.024 0.000 2.159 323 M HA -0.169 -1.815 4.480 -10.211 0.000 0.263 323 M C 2.211 178.517 176.300 0.010 0.000 1.063 323 M CA 1.293 56.593 55.300 0.001 0.000 1.110 323 M CB -0.104 32.457 32.600 -0.065 0.000 1.374 323 M HN 0.119 nan 8.290 nan 0.000 0.411 324 L N -0.781 120.465 121.223 0.039 0.000 2.056 324 L HA -0.125 -1.911 4.340 -10.211 0.000 0.207 324 L C 2.725 179.727 176.870 0.220 0.000 1.078 324 L CA 1.106 56.028 54.840 0.138 0.000 0.749 324 L CB -0.744 41.461 42.059 0.243 0.000 0.901 324 L HN 0.272 nan 8.230 nan 0.000 0.433 325 A N 0.032 122.928 122.820 0.127 0.000 1.968 325 A HA -0.043 -1.850 4.320 -10.211 0.000 0.217 325 A C 2.353 179.956 177.584 0.031 0.000 1.169 325 A CA 1.391 53.404 52.037 -0.041 0.000 0.638 325 A CB -1.029 17.818 19.000 -0.255 0.000 0.812 325 A HN 0.427 nan 8.150 nan 0.000 0.446 326 G N -0.569 108.287 108.800 0.094 0.000 2.443 326 G HA2 0.088 -2.078 3.960 -10.211 0.000 0.219 326 G HA3 0.088 -2.078 3.960 -10.211 0.000 0.219 326 G C 1.389 176.387 174.900 0.163 0.000 1.131 326 G CA 1.093 46.295 45.100 0.169 0.000 0.775 326 G HN 0.653 nan 8.290 nan 0.000 0.547 327 G N 0.067 108.938 108.800 0.118 0.000 2.484 327 G HA2 0.021 -2.145 3.960 -10.211 0.000 0.218 327 G HA3 0.021 -2.145 3.960 -10.211 0.000 0.218 327 G C 1.581 176.555 174.900 0.124 0.000 1.130 327 G CA 1.037 46.188 45.100 0.085 0.000 0.784 327 G HN 0.318 nan 8.290 nan 0.000 0.543 328 V N 0.799 120.828 119.914 0.192 0.000 2.426 328 V HA -0.005 -2.012 4.120 -10.211 0.000 0.242 328 V C 2.079 178.365 176.094 0.321 0.000 1.036 328 V CA 1.790 64.242 62.300 0.253 0.000 1.044 328 V CB -0.088 31.890 31.823 0.258 0.000 0.688 328 V HN 0.174 nan 8.190 nan 0.000 0.462 329 D N -0.269 120.327 120.400 0.325 0.000 2.346 329 D HA -0.018 -1.505 4.640 -10.211 0.000 0.206 329 D C 2.207 178.643 176.300 0.227 0.000 1.001 329 D CA 1.218 55.454 54.000 0.393 0.000 0.871 329 D CB 0.138 41.172 40.800 0.390 0.000 0.943 329 D HN 0.597 nan 8.370 nan 0.000 0.518 330 T N -2.403 112.252 114.554 0.169 0.000 2.684 330 T HA -0.084 -1.860 4.350 -10.211 0.000 0.253 330 T C 2.100 176.858 174.700 0.096 0.000 1.057 330 T CA 1.258 63.426 62.100 0.113 0.000 1.162 330 T CB -0.932 68.013 68.868 0.129 0.000 0.868 330 T HN -0.155 nan 8.240 nan 0.000 0.409 331 T N 2.607 117.216 114.554 0.093 0.000 2.699 331 T HA -0.148 -1.924 4.350 -10.211 0.000 0.268 331 T C 2.462 177.150 174.700 -0.020 0.000 1.036 331 T CA 2.121 64.254 62.100 0.054 0.000 1.147 331 T CB -0.770 68.122 68.868 0.041 0.000 0.862 331 T HN 0.734 nan 8.240 nan 0.000 0.446 332 S N 1.345 117.028 115.700 -0.029 0.000 2.356 332 S HA -0.101 -1.757 4.470 -10.211 0.000 0.223 332 S C 2.087 176.550 174.600 -0.228 0.000 1.032 332 S CA 1.056 59.151 58.200 -0.176 0.000 1.005 332 S CB -0.448 62.611 63.200 -0.234 0.000 0.867 332 S HN 0.231 nan 8.310 nan 0.000 0.449 333 M N 1.897 121.425 119.600 -0.119 0.000 2.175 333 M HA 0.000 -1.646 4.480 -10.211 0.000 0.264 333 M C 2.332 178.633 176.300 0.002 0.000 1.063 333 M CA 1.491 56.720 55.300 -0.118 0.000 1.119 333 M CB -2.167 30.437 32.600 0.007 0.000 1.377 333 M HN 0.417 nan 8.290 nan 0.000 0.415 334 T N 1.328 115.947 114.554 0.108 0.000 2.777 334 T HA -0.045 -1.821 4.350 -10.211 0.000 0.266 334 T C 2.068 176.885 174.700 0.196 0.000 1.040 334 T CA 1.000 63.235 62.100 0.224 0.000 1.141 334 T CB -0.292 68.672 68.868 0.161 0.000 0.868 334 T HN 0.293 nan 8.240 nan 0.000 0.444 335 L N 0.803 122.040 121.223 0.023 0.000 2.083 335 L HA -0.134 -1.921 4.340 -10.211 0.000 0.209 335 L C 2.931 179.809 176.870 0.014 0.000 1.083 335 L CA 1.339 56.150 54.840 -0.049 0.000 0.752 335 L CB -0.542 41.260 42.059 -0.427 0.000 0.899 335 L HN 0.314 nan 8.230 nan 0.000 0.433 336 Q N -0.502 119.254 119.800 -0.073 0.000 2.084 336 Q HA -0.229 -2.015 4.340 -10.211 0.000 0.202 336 Q C 2.194 178.242 176.000 0.080 0.000 0.978 336 Q CA 1.884 57.659 55.803 -0.046 0.000 0.844 336 Q CB -0.163 28.440 28.738 -0.224 0.000 0.898 336 Q HN 0.503 nan 8.270 nan 0.000 0.426 337 W N -0.685 120.634 121.300 0.033 0.000 2.381 337 W HA -0.167 -1.622 4.660 -10.191 0.000 0.301 337 W C 2.276 178.867 176.519 0.120 0.000 1.205 337 W CA 1.162 58.492 57.345 -0.025 0.000 1.285 337 W CB -0.246 29.109 29.460 -0.174 0.000 1.133 337 W HN 0.428 nan 8.180 nan 0.000 0.521 338 H N 0.123 119.381 119.070 0.313 0.000 2.319 338 H HA -0.209 -1.778 4.556 -10.209 0.000 0.299 338 H C 2.147 177.547 175.328 0.120 0.000 1.092 338 H CA 2.446 58.612 56.048 0.198 0.000 1.302 338 H CB -0.353 29.530 29.762 0.202 0.000 1.373 338 H HN 0.018 nan 8.280 nan 0.000 0.497 339 L N -0.630 120.786 121.223 0.322 0.000 2.012 339 L HA -0.236 -2.022 4.340 -10.211 0.000 0.210 339 L C 2.333 179.381 176.870 0.297 0.000 1.073 339 L CA 1.632 56.566 54.840 0.157 0.000 0.748 339 L CB -0.627 41.264 42.059 -0.282 0.000 0.891 339 L HN 0.409 nan 8.230 nan 0.000 0.431 340 Y N 0.993 121.505 120.300 0.352 0.000 2.165 340 Y HA -0.270 -1.849 4.550 -10.215 0.000 0.286 340 Y C 2.586 178.517 175.900 0.053 0.000 1.155 340 Y CA 1.664 59.931 58.100 0.278 0.000 1.164 340 Y CB -0.038 38.537 38.460 0.192 0.000 0.978 340 Y HN 0.133 nan 8.280 nan 0.000 0.513 341 E N 0.063 120.196 120.200 -0.111 0.000 2.153 341 E HA -0.200 -1.977 4.350 -10.211 0.000 0.194 341 E C 2.211 178.449 176.600 -0.602 0.000 0.988 341 E CA 1.486 57.501 56.400 -0.642 0.000 0.811 341 E CB -0.364 28.476 29.700 -1.434 0.000 0.746 341 E HN 0.638 nan 8.360 nan 0.000 0.466 342 M N -0.239 119.159 119.600 -0.336 0.000 2.254 342 M HA -0.027 -1.673 4.480 -10.211 0.000 0.265 342 M C 2.201 178.472 176.300 -0.049 0.000 1.066 342 M CA 1.078 56.315 55.300 -0.106 0.000 1.123 342 M CB -0.134 32.496 32.600 0.050 0.000 1.388 342 M HN 0.023 nan 8.290 nan 0.000 0.425 343 A N -0.110 122.679 122.820 -0.052 0.000 2.016 343 A HA -0.046 -1.853 4.320 -10.211 0.000 0.217 343 A C 2.140 179.658 177.584 -0.111 0.000 1.162 343 A CA 0.973 52.992 52.037 -0.030 0.000 0.662 343 A CB -0.390 18.639 19.000 0.047 0.000 0.812 343 A HN 0.365 nan 8.150 nan 0.000 0.450 344 R N -0.170 120.191 120.500 -0.231 0.000 2.193 344 R HA 0.055 -1.731 4.340 -10.211 0.000 0.213 344 R C -0.426 175.810 176.300 -0.107 0.000 1.055 344 R CA 0.654 56.611 56.100 -0.238 0.000 0.995 344 R CB 0.074 30.125 30.300 -0.415 0.000 0.893 344 R HN 0.459 nan 8.270 nan 0.000 0.459 345 N N 0.974 119.634 118.700 -0.067 0.000 2.762 345 N HA 0.097 -1.289 4.740 -10.211 0.000 0.252 345 N C 0.395 175.931 175.510 0.044 0.000 1.269 345 N CA -0.059 53.006 53.050 0.025 0.000 0.799 345 N CB 1.527 40.089 38.487 0.124 0.000 1.173 345 N HN 0.025 nan 8.380 nan 0.000 0.516 346 L N 0.565 121.804 121.223 0.026 0.000 2.127 346 L HA -0.162 -1.948 4.340 -10.211 0.000 0.211 346 L C 2.107 179.006 176.870 0.047 0.000 1.089 346 L CA 1.389 56.249 54.840 0.033 0.000 0.757 346 L CB -0.077 41.993 42.059 0.019 0.000 0.899 346 L HN 0.196 nan 8.230 nan 0.000 0.434 347 K N -0.409 120.021 120.400 0.051 0.000 2.097 347 K HA -0.098 -1.904 4.320 -10.211 0.000 0.205 347 K C 1.948 178.591 176.600 0.071 0.000 1.050 347 K CA 0.891 57.210 56.287 0.054 0.000 0.938 347 K CB -0.233 32.297 32.500 0.049 0.000 0.718 347 K HN 0.033 nan 8.250 nan 0.000 0.442 348 V N 0.954 120.929 119.914 0.100 0.000 2.358 348 V HA -0.262 -2.269 4.120 -10.211 0.000 0.246 348 V C 2.423 178.598 176.094 0.135 0.000 1.047 348 V CA 1.800 64.181 62.300 0.136 0.000 1.035 348 V CB -0.467 31.493 31.823 0.229 0.000 0.658 348 V HN 0.416 nan 8.190 nan 0.000 0.452 349 Q N -0.122 119.749 119.800 0.119 0.000 2.061 349 Q HA -0.283 -2.070 4.340 -10.211 0.000 0.204 349 Q C 2.023 178.059 176.000 0.060 0.000 0.984 349 Q CA 2.219 58.081 55.803 0.100 0.000 0.846 349 Q CB -0.162 28.623 28.738 0.079 0.000 0.902 349 Q HN 0.629 nan 8.270 nan 0.000 0.421 350 D N 0.047 120.476 120.400 0.048 0.000 2.104 350 D HA -0.199 -1.685 4.640 -10.211 0.000 0.194 350 D C 1.938 178.255 176.300 0.027 0.000 0.994 350 D CA 1.475 55.492 54.000 0.028 0.000 0.830 350 D CB -0.242 40.580 40.800 0.038 0.000 0.959 350 D HN 0.370 nan 8.370 nan 0.000 0.452 351 M N -0.010 119.618 119.600 0.046 0.000 2.108 351 M HA -0.137 -1.784 4.480 -10.211 0.000 0.261 351 M C 2.320 178.649 176.300 0.048 0.000 1.066 351 M CA 1.030 56.358 55.300 0.046 0.000 1.107 351 M CB -0.137 32.496 32.600 0.055 0.000 1.356 351 M HN -0.002 nan 8.290 nan 0.000 0.406 352 L N -0.919 120.345 121.223 0.068 0.000 2.093 352 L HA -0.195 -1.982 4.340 -10.211 0.000 0.208 352 L C 2.652 179.537 176.870 0.026 0.000 1.085 352 L CA 1.186 56.073 54.840 0.077 0.000 0.755 352 L CB -0.590 41.555 42.059 0.144 0.000 0.904 352 L HN 0.301 nan 8.230 nan 0.000 0.435 353 R N 0.367 120.857 120.500 -0.018 0.000 2.066 353 R HA -0.159 -1.945 4.340 -10.211 0.000 0.232 353 R C 2.381 178.633 176.300 -0.080 0.000 1.131 353 R CA 1.390 57.425 56.100 -0.108 0.000 0.955 353 R CB -0.268 29.892 30.300 -0.233 0.000 0.851 353 R HN 0.305 nan 8.270 nan 0.000 0.432 354 A N 0.984 123.783 122.820 -0.035 0.000 1.917 354 A HA -0.260 -2.066 4.320 -10.211 0.000 0.219 354 A C 2.048 179.637 177.584 0.008 0.000 1.182 354 A CA 1.876 53.911 52.037 -0.004 0.000 0.633 354 A CB -0.662 18.347 19.000 0.015 0.000 0.819 354 A HN 0.628 nan 8.150 nan 0.000 0.448 355 E N -0.432 119.777 120.200 0.016 0.000 2.072 355 E HA -0.120 -1.896 4.350 -10.211 0.000 0.191 355 E C 1.909 178.523 176.600 0.023 0.000 0.985 355 E CA 1.347 57.763 56.400 0.026 0.000 0.801 355 E CB -0.095 29.627 29.700 0.037 0.000 0.750 355 E HN 0.342 nan 8.360 nan 0.000 0.452 356 V N 1.453 121.373 119.914 0.009 0.000 2.358 356 V HA -0.259 -2.266 4.120 -10.211 0.000 0.246 356 V C 2.437 178.539 176.094 0.013 0.000 1.047 356 V CA 1.361 63.664 62.300 0.005 0.000 1.035 356 V CB -0.415 31.398 31.823 -0.017 0.000 0.658 356 V HN 0.345 nan 8.190 nan 0.000 0.452 357 L N 0.111 121.337 121.223 0.005 0.000 2.012 357 L HA -0.192 -1.978 4.340 -10.211 0.000 0.210 357 L C 2.774 179.682 176.870 0.062 0.000 1.073 357 L CA 1.735 56.596 54.840 0.034 0.000 0.748 357 L CB -0.941 41.140 42.059 0.035 0.000 0.891 357 L HN 0.380 nan 8.230 nan 0.000 0.431 358 A N 0.082 122.932 122.820 0.050 0.000 1.902 358 A HA -0.170 -1.977 4.320 -10.211 0.000 0.217 358 A C 2.513 180.157 177.584 0.101 0.000 1.181 358 A CA 1.875 53.955 52.037 0.071 0.000 0.623 358 A CB -0.641 18.389 19.000 0.049 0.000 0.818 358 A HN 0.423 nan 8.150 nan 0.000 0.443 359 A N -0.514 122.346 122.820 0.068 0.000 1.929 359 A HA -0.051 -1.858 4.320 -10.211 0.000 0.216 359 A C 2.152 179.770 177.584 0.056 0.000 1.176 359 A CA 1.850 53.920 52.037 0.055 0.000 0.628 359 A CB -0.392 18.630 19.000 0.037 0.000 0.816 359 A HN 0.451 nan 8.150 nan 0.000 0.444 360 R N -0.467 120.070 120.500 0.063 0.000 2.096 360 R HA -0.166 -1.953 4.340 -10.211 0.000 0.235 360 R C 2.120 178.465 176.300 0.075 0.000 1.127 360 R CA 2.140 58.274 56.100 0.058 0.000 0.968 360 R CB -0.845 29.488 30.300 0.057 0.000 0.861 360 R HN 0.772 nan 8.270 nan 0.000 0.440 361 H N -0.630 118.449 119.070 0.015 0.000 2.307 361 H HA -0.076 -1.646 4.556 -10.211 0.000 0.303 361 H C 1.609 176.945 175.328 0.012 0.000 1.073 361 H CA 1.832 57.890 56.048 0.015 0.000 1.338 361 H CB 0.151 29.925 29.762 0.019 0.000 1.389 361 H HN 0.238 nan 8.280 nan 0.000 0.503 362 Q N 0.868 120.702 119.800 0.058 0.000 2.234 362 Q HA -0.046 -1.833 4.340 -10.211 0.000 0.206 362 Q C 1.699 177.668 176.000 -0.050 0.000 0.980 362 Q CA 1.594 57.396 55.803 -0.002 0.000 0.869 362 Q CB -0.273 28.498 28.738 0.055 0.000 0.912 362 Q HN 0.495 nan 8.270 nan 0.000 0.436 363 A N -0.801 121.998 122.820 -0.035 0.000 2.345 363 A HA 0.107 -1.699 4.320 -10.211 0.000 0.225 363 A C 0.062 177.617 177.584 -0.049 0.000 1.243 363 A CA 0.150 52.169 52.037 -0.031 0.000 0.875 363 A CB -0.043 18.952 19.000 -0.008 0.000 0.929 363 A HN 0.445 nan 8.150 nan 0.000 0.502 364 Q N -1.771 117.974 119.800 -0.092 0.000 2.408 364 Q HA -0.305 -2.091 4.340 -10.211 0.000 0.290 364 Q C 1.062 177.037 176.000 -0.041 0.000 1.221 364 Q CA 0.711 56.459 55.803 -0.091 0.000 0.895 364 Q CB -2.045 26.641 28.738 -0.087 0.000 1.241 364 Q HN 1.641 nan 8.270 nan 0.000 0.494 365 G N -0.003 108.784 108.800 -0.020 0.000 2.241 365 G HA2 -0.318 -2.485 3.960 -10.211 0.000 0.244 365 G HA3 -0.318 -2.485 3.960 -10.211 0.000 0.244 365 G C -0.154 174.746 174.900 -0.000 0.000 0.998 365 G CA 0.081 45.179 45.100 -0.002 0.000 0.621 365 G HN 0.511 nan 8.290 nan 0.000 0.519 366 D N 0.434 120.830 120.400 -0.007 0.000 2.382 366 D HA 0.442 -1.044 4.640 -10.211 0.000 0.259 366 D C 1.648 177.948 176.300 0.000 0.000 1.224 366 D CA 0.148 54.145 54.000 -0.005 0.000 0.894 366 D CB 0.568 41.361 40.800 -0.011 0.000 1.127 366 D HN 0.117 nan 8.370 nan 0.000 0.487 367 M N 5.027 124.630 119.600 0.005 0.000 2.117 367 M HA -0.088 -1.735 4.480 -10.211 0.000 0.262 367 M C 1.734 178.036 176.300 0.004 0.000 1.065 367 M CA 2.011 57.318 55.300 0.010 0.000 1.114 367 M CB -0.682 31.929 32.600 0.020 0.000 1.361 367 M HN 0.504 nan 8.290 nan 0.000 0.408 368 A N -0.990 121.827 122.820 -0.005 0.000 1.892 368 A HA -0.203 -2.010 4.320 -10.211 0.000 0.218 368 A C 2.218 179.794 177.584 -0.013 0.000 1.188 368 A CA 2.591 54.619 52.037 -0.015 0.000 0.631 368 A CB -1.540 17.445 19.000 -0.026 0.000 0.822 368 A HN 0.595 nan 8.150 nan 0.000 0.447 369 T N -0.020 114.528 114.554 -0.011 0.000 2.708 369 T HA -0.175 -1.951 4.350 -10.211 0.000 0.266 369 T C 1.951 176.650 174.700 -0.001 0.000 1.037 369 T CA 1.675 63.770 62.100 -0.009 0.000 1.146 369 T CB -0.339 68.523 68.868 -0.011 0.000 0.865 369 T HN 0.409 nan 8.240 nan 0.000 0.435 370 M N 0.553 120.155 119.600 0.003 0.000 2.108 370 M HA -0.096 -1.743 4.480 -10.211 0.000 0.257 370 M C 2.043 178.350 176.300 0.012 0.000 1.071 370 M CA 1.661 56.968 55.300 0.011 0.000 1.093 370 M CB -0.653 31.956 32.600 0.014 0.000 1.345 370 M HN 0.233 nan 8.290 nan 0.000 0.403 371 L N -0.452 120.776 121.223 0.008 0.000 2.456 371 L HA -0.166 -1.953 4.340 -10.211 0.000 0.224 371 L C 1.965 178.838 176.870 0.005 0.000 1.148 371 L CA 0.458 55.303 54.840 0.009 0.000 0.825 371 L CB -0.429 41.633 42.059 0.005 0.000 0.937 371 L HN 0.335 nan 8.230 nan 0.000 0.450 372 Q N -0.326 119.476 119.800 0.003 0.000 2.319 372 Q HA 0.212 -1.574 4.340 -10.211 0.000 0.202 372 Q C 1.169 177.175 176.000 0.011 0.000 0.896 372 Q CA 0.477 56.282 55.803 0.003 0.000 0.942 372 Q CB 0.897 29.633 28.738 -0.004 0.000 1.083 372 Q HN 0.515 nan 8.270 nan 0.000 0.510 373 L N 0.330 121.562 121.223 0.016 0.000 3.122 373 L HA 0.184 -1.602 4.340 -10.211 0.000 0.274 373 L C 0.359 177.246 176.870 0.028 0.000 1.222 373 L CA -0.086 54.768 54.840 0.022 0.000 1.028 373 L CB 1.134 43.206 42.059 0.023 0.000 1.386 373 L HN -0.147 nan 8.230 nan 0.000 0.578 374 V N -3.623 116.308 119.914 0.029 0.000 2.592 374 V HA 0.337 -1.670 4.120 -10.211 0.000 0.278 374 V C -1.699 174.421 176.094 0.042 0.000 1.087 374 V CA -1.076 61.245 62.300 0.036 0.000 1.282 374 V CB -0.024 31.820 31.823 0.036 0.000 1.543 374 V HN -0.039 nan 8.190 nan 0.000 0.606 375 P HA -0.137 nan 4.420 nan 0.000 0.217 375 P C 1.716 179.055 177.300 0.065 0.000 1.150 375 P CA 0.971 64.100 63.100 0.049 0.000 0.832 375 P CB 0.602 32.331 31.700 0.048 0.000 0.787 376 L N -0.866 120.397 121.223 0.068 0.000 2.141 376 L HA -0.045 -1.831 4.340 -10.211 0.000 0.209 376 L C 2.582 179.513 176.870 0.101 0.000 1.094 376 L CA 1.283 56.172 54.840 0.081 0.000 0.763 376 L CB -1.211 40.892 42.059 0.073 0.000 0.908 376 L HN -0.152 nan 8.230 nan 0.000 0.437 377 L N -0.850 120.432 121.223 0.098 0.000 2.027 377 L HA -0.235 -2.021 4.340 -10.211 0.000 0.206 377 L C 2.505 179.447 176.870 0.119 0.000 1.074 377 L CA 1.472 56.388 54.840 0.126 0.000 0.745 377 L CB -0.301 41.810 42.059 0.087 0.000 0.898 377 L HN 0.295 nan 8.230 nan 0.000 0.433 378 K N -0.408 120.036 120.400 0.072 0.000 2.147 378 K HA -0.153 -1.959 4.320 -10.211 0.000 0.205 378 K C 1.976 178.581 176.600 0.007 0.000 1.049 378 K CA 1.292 57.603 56.287 0.041 0.000 0.936 378 K CB -0.127 32.385 32.500 0.020 0.000 0.722 378 K HN 0.343 nan 8.250 nan 0.000 0.446 379 A N 1.493 124.331 122.820 0.030 0.000 1.968 379 A HA -0.118 -1.924 4.320 -10.211 0.000 0.217 379 A C 2.206 179.781 177.584 -0.015 0.000 1.169 379 A CA 1.689 53.723 52.037 -0.005 0.000 0.638 379 A CB -0.407 18.688 19.000 0.159 0.000 0.812 379 A HN 0.371 nan 8.150 nan 0.000 0.446 380 S N 0.025 115.781 115.700 0.094 0.000 2.423 380 S HA -0.062 -1.718 4.470 -10.211 0.000 0.231 380 S C 1.797 176.567 174.600 0.283 0.000 1.014 380 S CA 1.247 59.542 58.200 0.158 0.000 0.965 380 S CB -0.649 62.766 63.200 0.357 0.000 0.785 380 S HN 0.472 nan 8.310 nan 0.000 0.495 381 I N 1.602 122.315 120.570 0.239 0.000 2.286 381 I HA -0.122 -2.079 4.170 -10.211 0.000 0.245 381 I C 2.671 178.830 176.117 0.070 0.000 1.104 381 I CA 1.173 62.614 61.300 0.235 0.000 1.397 381 I CB -0.225 37.876 38.000 0.170 0.000 1.072 381 I HN 0.243 nan 8.210 nan 0.000 0.417 382 K N 0.473 120.775 120.400 -0.163 0.000 2.063 382 K HA -0.259 -2.066 4.320 -10.211 0.000 0.208 382 K C 2.059 178.441 176.600 -0.364 0.000 1.048 382 K CA 1.710 57.695 56.287 -0.503 0.000 0.928 382 K CB -0.169 31.608 32.500 -1.205 0.000 0.713 382 K HN 0.123 nan 8.250 nan 0.000 0.442 383 E N 0.464 120.571 120.200 -0.154 0.000 2.153 383 E HA -0.128 -1.905 4.350 -10.211 0.000 0.194 383 E C 1.642 178.356 176.600 0.191 0.000 0.988 383 E CA 1.611 58.099 56.400 0.146 0.000 0.811 383 E CB -0.056 29.612 29.700 -0.055 0.000 0.746 383 E HN 0.159 nan 8.360 nan 0.000 0.466 384 T N 0.460 115.193 114.554 0.298 0.000 2.737 384 T HA -0.060 -1.836 4.350 -10.211 0.000 0.265 384 T C 1.707 176.507 174.700 0.167 0.000 1.038 384 T CA 1.131 63.451 62.100 0.367 0.000 1.144 384 T CB -0.213 68.917 68.868 0.436 0.000 0.866 384 T HN 0.146 nan 8.240 nan 0.000 0.434 385 L N 0.686 121.958 121.223 0.081 0.000 2.362 385 L HA -0.011 -1.797 4.340 -10.211 0.000 0.219 385 L C 2.745 179.588 176.870 -0.045 0.000 1.134 385 L CA 0.878 55.710 54.840 -0.013 0.000 0.807 385 L CB -0.385 41.614 42.059 -0.101 0.000 0.927 385 L HN 0.183 nan 8.230 nan 0.000 0.447 386 R N 0.598 121.071 120.500 -0.046 0.000 2.057 386 R HA -0.107 -1.893 4.340 -10.211 0.000 0.229 386 R C 2.236 178.387 176.300 -0.248 0.000 1.136 386 R CA 1.211 57.247 56.100 -0.107 0.000 0.952 386 R CB -0.106 30.128 30.300 -0.109 0.000 0.848 386 R HN 0.288 nan 8.270 nan 0.000 0.430 387 L N -0.177 120.853 121.223 -0.321 0.000 2.240 387 L HA -0.044 -1.831 4.340 -10.211 0.000 0.211 387 L C 0.510 176.868 176.870 -0.854 0.000 1.106 387 L CA 0.661 55.127 54.840 -0.623 0.000 0.793 387 L CB 0.074 41.699 42.059 -0.724 0.000 0.927 387 L HN 0.306 nan 8.230 nan 0.000 0.446 388 H N -0.805 118.101 119.070 -0.273 0.000 2.439 388 H HA 0.292 -1.270 4.556 -10.196 0.000 0.228 388 H C -2.391 172.863 175.328 -0.124 0.000 1.423 388 H CA -1.979 53.835 56.048 -0.389 0.000 1.386 388 H CB 0.063 29.183 29.762 -1.070 0.000 1.641 388 H HN 0.020 nan 8.280 nan 0.000 0.508 389 P HA 0.029 nan 4.420 nan 0.000 0.269 389 P C 1.179 178.549 177.300 0.115 0.000 1.215 389 P CA -0.359 62.788 63.100 0.078 0.000 0.780 389 P CB 1.802 33.580 31.700 0.130 0.000 0.898 390 I N -0.054 120.555 120.570 0.065 0.000 2.406 390 I HA -0.066 -2.022 4.170 -10.211 0.000 0.249 390 I C 1.318 177.497 176.117 0.103 0.000 1.122 390 I CA 1.492 62.836 61.300 0.072 0.000 1.431 390 I CB -0.762 37.252 38.000 0.024 0.000 1.087 390 I HN 0.302 nan 8.210 nan 0.000 0.424 391 S N 0.696 116.470 115.700 0.124 0.000 2.420 391 S HA 0.276 -1.381 4.470 -10.211 0.000 0.313 391 S C 1.369 176.110 174.600 0.236 0.000 1.079 391 S CA -0.522 57.787 58.200 0.182 0.000 1.104 391 S CB 1.060 64.356 63.200 0.161 0.000 0.969 391 S HN 0.103 nan 8.310 nan 0.000 0.471 392 V N 3.173 123.269 119.914 0.303 0.000 2.380 392 V HA 0.008 -1.998 4.120 -10.211 0.000 0.251 392 V C 1.200 177.492 176.094 0.330 0.000 1.063 392 V CA 1.747 64.251 62.300 0.341 0.000 1.055 392 V CB -1.984 30.046 31.823 0.344 0.000 0.657 392 V HN 0.884 nan 8.190 nan 0.000 0.455 393 T N -2.578 112.135 114.554 0.265 0.000 2.865 393 T HA 0.713 -1.063 4.350 -10.211 0.000 0.294 393 T C -0.952 173.852 174.700 0.173 0.000 1.119 393 T CA -0.837 61.379 62.100 0.192 0.000 1.007 393 T CB 2.291 71.227 68.868 0.114 0.000 1.225 393 T HN 0.156 nan 8.240 nan 0.000 0.515 394 L N 0.950 122.261 121.223 0.147 0.000 2.330 394 L HA 0.740 -1.046 4.340 -10.211 0.000 0.271 394 L C -0.747 176.156 176.870 0.055 0.000 1.013 394 L CA -1.093 53.850 54.840 0.171 0.000 0.816 394 L CB 1.884 44.118 42.059 0.291 0.000 1.287 394 L HN 0.727 nan 8.230 nan 0.000 0.435 395 Q N 1.970 121.797 119.800 0.045 0.000 2.379 395 Q HA 0.667 -1.119 4.340 -10.211 0.000 0.278 395 Q C -1.376 174.569 176.000 -0.093 0.000 1.068 395 Q CA -0.881 54.861 55.803 -0.101 0.000 0.816 395 Q CB 2.567 31.223 28.738 -0.137 0.000 1.387 395 Q HN 0.270 nan 8.270 nan 0.000 0.413 396 R N 0.981 121.348 120.500 -0.221 0.000 2.673 396 R HA 0.448 -1.338 4.340 -10.211 0.000 0.281 396 R C -1.286 174.872 176.300 -0.237 0.000 0.991 396 R CA -0.767 55.233 56.100 -0.165 0.000 0.896 396 R CB 1.362 31.546 30.300 -0.193 0.000 1.201 396 R HN 0.703 nan 8.270 nan 0.000 0.457 397 Y N 1.984 122.246 120.300 -0.064 0.000 2.336 397 Y HA 0.266 -1.309 4.550 -10.208 0.000 0.335 397 Y C 1.031 176.884 175.900 -0.079 0.000 1.046 397 Y CA -0.288 57.772 58.100 -0.067 0.000 1.198 397 Y CB 0.847 39.284 38.460 -0.039 0.000 1.182 397 Y HN 0.253 nan 8.280 nan 0.000 0.502 398 L N 4.059 125.307 121.223 0.042 0.000 2.453 398 L HA -0.009 -1.795 4.340 -10.211 0.000 0.272 398 L C 0.865 177.745 176.870 0.017 0.000 1.182 398 L CA -0.094 54.741 54.840 -0.009 0.000 0.858 398 L CB 0.554 42.587 42.059 -0.043 0.000 1.120 398 L HN 0.665 nan 8.230 nan 0.000 0.474 399 V N 1.931 121.848 119.914 0.006 0.000 2.500 399 V HA 0.008 -1.999 4.120 -10.211 0.000 0.243 399 V C 0.694 176.787 176.094 -0.002 0.000 1.039 399 V CA 1.094 63.400 62.300 0.009 0.000 1.053 399 V CB -0.249 31.586 31.823 0.019 0.000 0.695 399 V HN 0.754 nan 8.190 nan 0.000 0.463 400 N N -0.149 118.547 118.700 -0.007 0.000 2.362 400 N HA 0.304 -1.082 4.740 -10.211 0.000 0.299 400 N C -1.137 174.361 175.510 -0.021 0.000 1.170 400 N CA -0.667 52.376 53.050 -0.011 0.000 0.825 400 N CB 1.077 39.561 38.487 -0.005 0.000 1.299 400 N HN 0.089 nan 8.380 nan 0.000 0.502 401 D N 0.828 121.217 120.400 -0.019 0.000 2.515 401 D HA 0.066 -1.421 4.640 -10.211 0.000 0.232 401 D C -0.150 176.139 176.300 -0.018 0.000 1.157 401 D CA 0.631 54.620 54.000 -0.018 0.000 0.871 401 D CB 0.519 41.312 40.800 -0.011 0.000 1.200 401 D HN 0.242 nan 8.370 nan 0.000 0.466 402 L N 1.599 122.813 121.223 -0.015 0.000 2.445 402 L HA 0.381 -1.405 4.340 -10.211 0.000 0.262 402 L C -1.406 175.465 176.870 0.000 0.000 0.974 402 L CA -0.752 54.075 54.840 -0.021 0.000 0.822 402 L CB 2.326 44.355 42.059 -0.050 0.000 1.339 402 L HN 0.135 nan 8.230 nan 0.000 0.409 403 V N 5.697 125.608 119.914 -0.004 0.000 2.350 403 V HA 0.502 -1.504 4.120 -10.211 0.000 0.276 403 V C -0.305 175.792 176.094 0.005 0.000 1.028 403 V CA -0.331 61.977 62.300 0.014 0.000 0.860 403 V CB 1.219 33.045 31.823 0.005 0.000 0.990 403 V HN 0.555 nan 8.190 nan 0.000 0.453 404 L N 5.891 127.137 121.223 0.038 0.000 2.356 404 L HA 0.628 -1.158 4.340 -10.211 0.000 0.277 404 L C 0.621 177.560 176.870 0.114 0.000 0.996 404 L CA -0.920 53.942 54.840 0.037 0.000 0.822 404 L CB 1.764 43.826 42.059 0.004 0.000 1.256 404 L HN 0.602 nan 8.230 nan 0.000 0.413 405 R N 1.857 122.400 120.500 0.071 0.000 3.405 405 R HA -0.208 -1.995 4.340 -10.211 0.000 0.258 405 R C -0.646 175.609 176.300 -0.075 0.000 1.030 405 R CA 0.535 56.676 56.100 0.068 0.000 0.691 405 R CB -1.620 28.796 30.300 0.194 0.000 1.093 405 R HN 0.855 nan 8.270 nan 0.000 0.448 406 D N -1.904 118.439 120.400 -0.094 0.000 2.772 406 D HA -0.223 -1.709 4.640 -10.211 0.000 0.233 406 D C -0.759 175.360 176.300 -0.302 0.000 1.143 406 D CA 1.598 55.485 54.000 -0.188 0.000 0.700 406 D CB -1.033 39.628 40.800 -0.232 0.000 1.076 406 D HN 0.508 nan 8.370 nan 0.000 0.430 407 Y N -0.767 119.527 120.300 -0.010 0.000 2.391 407 Y HA 0.362 -1.216 4.550 -10.213 0.000 0.341 407 Y C 0.902 176.812 175.900 0.016 0.000 0.965 407 Y CA -1.140 56.957 58.100 -0.005 0.000 1.067 407 Y CB 1.403 39.846 38.460 -0.027 0.000 1.199 407 Y HN -0.143 nan 8.280 nan 0.000 0.450 408 M N 4.812 124.530 119.600 0.197 0.000 2.184 408 M HA 0.277 -1.370 4.480 -10.211 0.000 0.351 408 M C -0.998 175.419 176.300 0.196 0.000 1.395 408 M CA 0.039 55.425 55.300 0.143 0.000 1.117 408 M CB -0.105 32.558 32.600 0.106 0.000 1.708 408 M HN 0.567 nan 8.290 nan 0.000 0.468 409 I N 7.543 128.193 120.570 0.133 0.000 2.328 409 I HA 0.297 -1.660 4.170 -10.211 0.000 0.287 409 I C -2.064 174.057 176.117 0.007 0.000 1.012 409 I CA -1.890 59.489 61.300 0.132 0.000 1.195 409 I CB 1.379 39.440 38.000 0.101 0.000 1.350 409 I HN 0.377 nan 8.210 nan 0.000 0.464 410 P HA 0.049 nan 4.420 nan 0.000 0.266 410 P C -0.198 177.043 177.300 -0.099 0.000 1.195 410 P CA -0.229 62.801 63.100 -0.118 0.000 0.768 410 P CB 0.554 32.117 31.700 -0.229 0.000 0.838 411 A N 3.557 126.338 122.820 -0.065 0.000 2.561 411 A HA 0.005 -1.802 4.320 -10.211 0.000 0.234 411 A C 0.898 178.454 177.584 -0.047 0.000 1.055 411 A CA 0.605 52.616 52.037 -0.045 0.000 0.756 411 A CB -0.754 18.227 19.000 -0.032 0.000 0.986 411 A HN 0.716 nan 8.150 nan 0.000 0.505 412 K N -0.829 119.566 120.400 -0.008 0.000 3.548 412 K HA -0.126 -1.933 4.320 -10.211 0.000 0.296 412 K C 0.082 176.736 176.600 0.090 0.000 1.324 412 K CA 1.283 57.590 56.287 0.033 0.000 0.976 412 K CB -2.285 30.201 32.500 -0.023 0.000 1.294 412 K HN 0.821 nan 8.250 nan 0.000 0.464 413 T N 1.692 116.245 114.554 -0.003 0.000 2.919 413 T HA 0.284 -1.492 4.350 -10.211 0.000 0.302 413 T C 0.003 174.666 174.700 -0.061 0.000 1.031 413 T CA -0.524 61.548 62.100 -0.047 0.000 1.127 413 T CB 1.024 69.820 68.868 -0.121 0.000 0.952 413 T HN 0.138 nan 8.240 nan 0.000 0.540 414 L N 4.755 125.874 121.223 -0.174 0.000 2.313 414 L HA 0.453 -1.333 4.340 -10.211 0.000 0.282 414 L C -0.751 175.881 176.870 -0.396 0.000 1.092 414 L CA -0.016 54.538 54.840 -0.477 0.000 0.831 414 L CB 0.442 42.156 42.059 -0.575 0.000 1.159 414 L HN 0.420 nan 8.230 nan 0.000 0.442 415 V N 5.566 125.235 119.914 -0.408 0.000 2.495 415 V HA 0.500 -1.507 4.120 -10.211 0.000 0.298 415 V C -0.328 175.503 176.094 -0.438 0.000 1.031 415 V CA -0.682 61.383 62.300 -0.391 0.000 0.871 415 V CB 1.599 33.238 31.823 -0.308 0.000 0.988 415 V HN 0.744 nan 8.190 nan 0.000 0.432 416 Q N 2.963 122.450 119.800 -0.522 0.000 2.340 416 Q HA 0.587 -1.200 4.340 -10.211 0.000 0.268 416 Q C -1.286 174.559 176.000 -0.259 0.000 1.031 416 Q CA -0.759 54.771 55.803 -0.455 0.000 0.804 416 Q CB 2.977 31.276 28.738 -0.731 0.000 1.286 416 Q HN 0.568 nan 8.270 nan 0.000 0.448 417 V N 1.862 121.704 119.914 -0.120 0.000 2.364 417 V HA 0.276 -1.731 4.120 -10.211 0.000 0.272 417 V C 0.267 176.404 176.094 0.072 0.000 1.036 417 V CA -0.475 61.814 62.300 -0.018 0.000 0.880 417 V CB 0.994 32.838 31.823 0.034 0.000 0.991 417 V HN 0.857 nan 8.190 nan 0.000 0.460 418 A N 5.302 128.202 122.820 0.133 0.000 2.981 418 A HA 0.292 -1.515 4.320 -10.211 0.000 0.280 418 A C 1.283 179.005 177.584 0.229 0.000 1.743 418 A CA -0.172 52.002 52.037 0.229 0.000 1.430 418 A CB -0.664 18.601 19.000 0.442 0.000 1.085 418 A HN 0.771 nan 8.150 nan 0.000 0.597 419 I N 0.661 121.365 120.570 0.223 0.000 2.194 419 I HA -0.301 -2.257 4.170 -10.211 0.000 0.246 419 I C 2.098 178.355 176.117 0.232 0.000 1.093 419 I CA 1.840 63.266 61.300 0.210 0.000 1.355 419 I CB -0.627 37.492 38.000 0.198 0.000 1.046 419 I HN 0.809 nan 8.210 nan 0.000 0.413 420 Y N 0.783 121.201 120.300 0.196 0.000 2.145 420 Y HA -0.244 -1.804 4.550 -10.183 0.000 0.286 420 Y C 2.393 178.405 175.900 0.186 0.000 1.145 420 Y CA 1.852 60.060 58.100 0.180 0.000 1.148 420 Y CB -0.360 38.240 38.460 0.235 0.000 0.981 420 Y HN 0.139 nan 8.280 nan 0.000 0.507 421 A N 0.120 123.171 122.820 0.385 0.000 1.929 421 A HA -0.130 -1.936 4.320 -10.211 0.000 0.216 421 A C 2.102 179.768 177.584 0.137 0.000 1.176 421 A CA 1.380 53.590 52.037 0.289 0.000 0.628 421 A CB -1.178 18.088 19.000 0.443 0.000 0.816 421 A HN 0.546 nan 8.150 nan 0.000 0.444 422 L N 0.583 121.887 121.223 0.135 0.000 1.978 422 L HA -0.164 -1.951 4.340 -10.211 0.000 0.218 422 L C 2.311 179.373 176.870 0.320 0.000 1.075 422 L CA 2.667 57.623 54.840 0.192 0.000 0.767 422 L CB -1.370 40.776 42.059 0.145 0.000 0.890 422 L HN 0.300 nan 8.230 nan 0.000 0.434 423 G N -1.317 107.571 108.800 0.148 0.000 2.498 423 G HA2 -0.198 -2.364 3.960 -10.211 0.000 0.219 423 G HA3 -0.198 -2.364 3.960 -10.211 0.000 0.219 423 G C 1.421 176.238 174.900 -0.139 0.000 1.119 423 G CA 0.423 45.479 45.100 -0.072 0.000 0.766 423 G HN 0.352 nan 8.290 nan 0.000 0.552 424 R N -0.081 120.355 120.500 -0.106 0.000 2.334 424 R HA 0.150 -1.637 4.340 -10.211 0.000 0.212 424 R C 0.134 176.446 176.300 0.021 0.000 0.897 424 R CA -0.253 55.783 56.100 -0.106 0.000 1.056 424 R CB 0.117 30.311 30.300 -0.176 0.000 1.046 424 R HN 0.303 nan 8.270 nan 0.000 0.513 425 E N 3.262 123.536 120.200 0.124 0.000 2.166 425 E HA 0.097 -1.679 4.350 -10.211 0.000 0.279 425 E C -1.663 174.974 176.600 0.063 0.000 1.095 425 E CA -2.534 53.927 56.400 0.102 0.000 0.888 425 E CB 1.089 30.902 29.700 0.188 0.000 1.041 425 E HN -0.070 nan 8.360 nan 0.000 0.414 426 P HA -0.085 nan 4.420 nan 0.000 0.230 426 P C 0.614 177.832 177.300 -0.137 0.000 1.158 426 P CA 0.869 63.928 63.100 -0.068 0.000 0.769 426 P CB 0.125 31.768 31.700 -0.096 0.000 0.807 427 T N -5.451 108.926 114.554 -0.294 0.000 3.081 427 T HA 0.124 -1.653 4.350 -10.211 0.000 0.255 427 T C 1.280 175.621 174.700 -0.598 0.000 1.113 427 T CA 0.313 62.125 62.100 -0.480 0.000 1.082 427 T CB -0.888 67.567 68.868 -0.688 0.000 0.939 427 T HN 0.051 nan 8.240 nan 0.000 0.506 428 F N -0.289 119.593 119.950 -0.113 0.000 2.727 428 F HA 0.502 -1.168 4.527 -10.328 0.000 0.302 428 F C -0.039 175.398 175.800 -0.606 0.000 1.107 428 F CA -1.130 56.675 58.000 -0.325 0.000 1.277 428 F CB 0.748 39.534 39.000 -0.357 0.000 1.079 428 F HN 0.045 nan 8.300 nan 0.000 0.594 429 F N -0.506 119.499 119.950 0.091 0.000 2.547 429 F HA 0.291 4.830 4.527 0.021 0.000 0.316 429 F C -0.405 175.410 175.800 0.025 0.000 1.121 429 F CA -1.530 56.491 58.000 0.035 0.000 0.911 429 F CB 1.156 40.152 39.000 -0.007 0.000 1.179 429 F HN -0.298 nan 8.300 nan 0.000 0.443 430 F N 3.896 123.901 119.950 0.091 0.000 2.578 430 F HA 0.139 -1.483 4.527 -10.248 0.000 0.376 430 F C 0.993 176.817 175.800 0.040 0.000 1.085 430 F CA 0.045 58.063 58.000 0.031 0.000 1.260 430 F CB 0.198 39.195 39.000 -0.004 0.000 1.095 430 F HN 0.661 nan 8.300 nan 0.000 0.573 431 D N 6.227 126.195 120.400 -0.720 0.000 2.802 431 D HA -0.172 -1.658 4.640 -10.211 0.000 0.229 431 D C -1.744 174.456 176.300 -0.168 0.000 1.203 431 D CA 0.677 54.377 54.000 -0.500 0.000 0.712 431 D CB -0.158 40.295 40.800 -0.577 0.000 0.973 431 D HN 0.406 nan 8.370 nan 0.000 0.407 432 P HA -0.158 nan 4.420 nan 0.000 0.222 432 P C 0.951 178.198 177.300 -0.088 0.000 1.147 432 P CA 0.988 64.057 63.100 -0.053 0.000 0.790 432 P CB 0.194 31.893 31.700 -0.000 0.000 0.780 433 E N -0.682 119.475 120.200 -0.072 0.000 2.511 433 E HA -0.024 -1.800 4.350 -10.211 0.000 0.196 433 E C 0.413 177.011 176.600 -0.003 0.000 1.066 433 E CA -0.100 56.275 56.400 -0.043 0.000 0.871 433 E CB -0.337 29.346 29.700 -0.029 0.000 0.863 433 E HN 0.251 nan 8.360 nan 0.000 0.520 434 N N 0.423 119.120 118.700 -0.005 0.000 2.438 434 N HA 0.069 -1.318 4.740 -10.211 0.000 0.282 434 N C -1.326 174.240 175.510 0.093 0.000 1.037 434 N CA -0.484 52.594 53.050 0.047 0.000 0.942 434 N CB 0.527 39.032 38.487 0.031 0.000 1.136 434 N HN -0.114 nan 8.380 nan 0.000 0.481 435 F N 3.236 123.182 119.950 -0.006 0.000 2.464 435 F HA 0.248 -1.347 4.527 -10.204 0.000 0.353 435 F C -0.382 175.437 175.800 0.033 0.000 1.191 435 F CA -0.370 57.634 58.000 0.006 0.000 1.147 435 F CB 0.088 39.091 39.000 0.005 0.000 1.294 435 F HN 0.385 nan 8.300 nan 0.000 0.583 436 D N 8.345 128.571 120.400 -0.290 0.000 2.375 436 D HA 0.331 -1.156 4.640 -10.211 0.000 0.259 436 D C -2.196 173.980 176.300 -0.207 0.000 1.235 436 D CA -2.319 51.559 54.000 -0.203 0.000 0.924 436 D CB 1.779 42.553 40.800 -0.044 0.000 1.143 436 D HN 0.172 nan 8.370 nan 0.000 0.529 437 P HA -0.099 nan 4.420 nan 0.000 0.220 437 P C 1.379 178.745 177.300 0.109 0.000 1.148 437 P CA 1.196 64.282 63.100 -0.025 0.000 0.803 437 P CB 0.112 31.769 31.700 -0.072 0.000 0.782 438 T N -2.633 111.937 114.554 0.027 0.000 2.929 438 T HA -0.169 -1.946 4.350 -10.211 0.000 0.271 438 T C 1.888 176.592 174.700 0.007 0.000 1.085 438 T CA 0.635 62.756 62.100 0.035 0.000 1.125 438 T CB -0.767 68.108 68.868 0.011 0.000 0.874 438 T HN 0.050 nan 8.240 nan 0.000 0.494 439 R N -0.107 120.353 120.500 -0.066 0.000 2.154 439 R HA -0.156 -1.942 4.340 -10.211 0.000 0.248 439 R C 1.496 177.616 176.300 -0.300 0.000 1.155 439 R CA 1.964 57.929 56.100 -0.225 0.000 0.979 439 R CB -0.419 29.660 30.300 -0.369 0.000 0.869 439 R HN 0.635 nan 8.270 nan 0.000 0.452 440 W N -0.385 120.937 121.300 0.037 0.000 3.197 440 W HA 0.187 -1.212 4.660 -10.098 0.000 0.274 440 W C 1.412 177.955 176.519 0.040 0.000 1.297 440 W CA -0.231 57.145 57.345 0.051 0.000 1.662 440 W CB 0.278 29.763 29.460 0.042 0.000 1.106 440 W HN 0.032 nan 8.180 nan 0.000 0.663 441 L N -0.326 121.007 121.223 0.182 0.000 2.513 441 L HA 0.129 -1.657 4.340 -10.211 0.000 0.222 441 L C 1.658 178.568 176.870 0.067 0.000 1.096 441 L CA -0.046 54.865 54.840 0.119 0.000 0.857 441 L CB -0.623 41.491 42.059 0.092 0.000 1.026 441 L HN -0.271 nan 8.230 nan 0.000 0.469 442 S N 0.609 116.330 115.700 0.034 0.000 2.631 442 S HA -0.132 -1.788 4.470 -10.211 0.000 0.311 442 S C 1.514 176.121 174.600 0.012 0.000 1.254 442 S CA -0.041 58.159 58.200 0.001 0.000 1.039 442 S CB 0.517 63.696 63.200 -0.035 0.000 0.753 442 S HN 0.167 nan 8.310 nan 0.000 0.494 443 K N 2.279 122.678 120.400 -0.001 0.000 2.026 443 K HA -0.077 -1.883 4.320 -10.211 0.000 0.208 443 K C 0.497 177.098 176.600 0.001 0.000 1.048 443 K CA 0.862 57.150 56.287 0.002 0.000 0.929 443 K CB -0.656 31.839 32.500 -0.008 0.000 0.713 443 K HN 0.698 nan 8.250 nan 0.000 0.439 444 D N 2.114 122.506 120.400 -0.013 0.000 2.349 444 D HA -0.021 -1.508 4.640 -10.211 0.000 0.266 444 D C 0.351 176.652 176.300 0.001 0.000 1.293 444 D CA 0.244 54.235 54.000 -0.016 0.000 0.926 444 D CB 0.547 41.326 40.800 -0.036 0.000 1.090 444 D HN -0.149 nan 8.370 nan 0.000 0.502 445 K N 3.171 123.579 120.400 0.013 0.000 2.476 445 K HA 0.086 -1.720 4.320 -10.211 0.000 0.196 445 K C 0.636 177.264 176.600 0.047 0.000 1.025 445 K CA -0.100 56.213 56.287 0.044 0.000 1.138 445 K CB 0.294 32.826 32.500 0.053 0.000 0.860 445 K HN 0.433 nan 8.250 nan 0.000 0.515 446 N N 0.748 119.455 118.700 0.011 0.000 2.333 446 N HA 0.006 -1.380 4.740 -10.211 0.000 0.178 446 N C 1.805 177.343 175.510 0.048 0.000 1.018 446 N CA 0.555 53.612 53.050 0.011 0.000 0.882 446 N CB 0.163 38.636 38.487 -0.023 0.000 0.984 446 N HN 0.167 nan 8.380 nan 0.000 0.434 447 I N 1.142 121.715 120.570 0.005 0.000 2.493 447 I HA -0.173 -2.129 4.170 -10.211 0.000 0.254 447 I C 1.756 177.828 176.117 -0.075 0.000 1.160 447 I CA 1.186 62.457 61.300 -0.049 0.000 1.445 447 I CB -0.038 37.920 38.000 -0.070 0.000 1.086 447 I HN 0.197 nan 8.210 nan 0.000 0.433 448 T N -3.349 111.218 114.554 0.022 0.000 3.129 448 T HA 0.051 -1.726 4.350 -10.211 0.000 0.267 448 T C 0.272 175.097 174.700 0.209 0.000 1.018 448 T CA -0.388 61.760 62.100 0.081 0.000 0.903 448 T CB -0.455 68.519 68.868 0.177 0.000 1.067 448 T HN 0.094 nan 8.240 nan 0.000 0.549 449 Y N 2.351 122.692 120.300 0.068 0.000 2.677 449 Y HA 0.331 -1.253 4.550 -10.224 0.000 0.335 449 Y C 0.019 176.056 175.900 0.228 0.000 1.162 449 Y CA -1.534 56.651 58.100 0.141 0.000 1.483 449 Y CB -0.765 37.772 38.460 0.128 0.000 1.209 449 Y HN 0.349 nan 8.280 nan 0.000 0.528 450 F N 4.828 124.560 119.950 -0.363 0.000 2.907 450 F HA -0.350 -1.960 4.527 -10.228 0.000 0.244 450 F C 0.845 176.623 175.800 -0.037 0.000 1.007 450 F CA 0.929 58.775 58.000 -0.257 0.000 0.872 450 F CB -0.424 38.286 39.000 -0.482 0.000 0.767 450 F HN 0.603 nan 8.300 nan 0.000 0.837 451 R N -1.036 119.607 120.500 0.239 0.000 2.316 451 R HA 0.131 -1.655 4.340 -10.211 0.000 0.201 451 R C 0.631 177.272 176.300 0.567 0.000 0.888 451 R CA 0.133 56.505 56.100 0.453 0.000 1.041 451 R CB -0.074 30.556 30.300 0.551 0.000 1.115 451 R HN 0.228 nan 8.270 nan 0.000 0.559 452 N N 1.746 120.680 118.700 0.389 0.000 3.034 452 N HA 0.139 -1.247 4.740 -10.211 0.000 0.265 452 N C 0.224 175.804 175.510 0.117 0.000 1.166 452 N CA 0.052 53.194 53.050 0.152 0.000 1.081 452 N CB -0.009 38.479 38.487 0.001 0.000 1.378 452 N HN 0.105 nan 8.380 nan 0.000 0.520 453 L N 0.297 121.608 121.223 0.147 0.000 2.858 453 L HA 0.355 -1.432 4.340 -10.211 0.000 0.251 453 L C 2.051 178.986 176.870 0.109 0.000 1.149 453 L CA -0.107 54.824 54.840 0.151 0.000 0.955 453 L CB 0.367 42.542 42.059 0.194 0.000 1.289 453 L HN 0.456 nan 8.230 nan 0.000 0.542 454 G N 0.670 109.484 108.800 0.024 0.000 2.475 454 G HA2 -0.271 -2.437 3.960 -10.211 0.000 0.220 454 G HA3 -0.271 -2.437 3.960 -10.211 0.000 0.220 454 G C 1.058 175.801 174.900 -0.261 0.000 1.125 454 G CA 0.876 45.889 45.100 -0.144 0.000 0.755 454 G HN 0.332 nan 8.290 nan 0.000 0.565 455 F N 1.108 121.095 119.950 0.062 0.000 2.641 455 F HA 0.433 -1.167 4.527 -10.212 0.000 0.302 455 F C 1.666 177.513 175.800 0.077 0.000 1.098 455 F CA 0.108 58.148 58.000 0.066 0.000 1.318 455 F CB 0.358 39.377 39.000 0.032 0.000 1.035 455 F HN 0.400 nan 8.300 nan 0.000 0.551 456 G N 0.392 109.322 108.800 0.218 0.000 2.642 456 G HA2 -0.281 -2.448 3.960 -10.211 0.000 0.231 456 G HA3 -0.281 -2.448 3.960 -10.211 0.000 0.231 456 G C -1.248 173.728 174.900 0.127 0.000 1.338 456 G CA -0.382 44.833 45.100 0.192 0.000 0.883 456 G HN 0.317 nan 8.290 nan 0.000 0.570 457 W N -0.075 121.099 121.300 -0.209 0.000 3.107 457 W HA 0.606 -0.863 4.660 -10.216 0.000 0.331 457 W C 0.681 177.078 176.519 -0.204 0.000 1.204 457 W CA 1.224 58.329 57.345 -0.400 0.000 1.184 457 W CB 1.325 30.085 29.460 -1.167 0.000 1.421 457 W HN 2.515 nan 8.180 nan 0.000 0.544 458 G N 1.113 109.398 108.800 -0.859 0.000 2.598 458 G HA2 -0.239 -2.405 3.960 -10.211 0.000 0.244 458 G HA3 -0.239 -2.405 3.960 -10.211 0.000 0.244 458 G C 0.472 175.259 174.900 -0.188 0.000 1.302 458 G CA 0.649 45.320 45.100 -0.715 0.000 0.903 458 G HN 1.715 nan 8.290 nan 0.000 0.575 459 V N -2.461 117.463 119.914 0.017 0.000 2.759 459 V HA 0.170 -1.837 4.120 -10.211 0.000 0.256 459 V C 2.029 178.342 176.094 0.365 0.000 1.080 459 V CA 2.787 65.197 62.300 0.184 0.000 1.101 459 V CB -0.401 31.603 31.823 0.303 0.000 0.698 459 V HN 0.710 nan 8.190 nan 0.000 0.477 460 R N 1.138 121.819 120.500 0.301 0.000 2.633 460 R HA 0.247 -1.540 4.340 -10.211 0.000 0.348 460 R C 0.981 177.427 176.300 0.244 0.000 1.100 460 R CA -0.251 56.043 56.100 0.324 0.000 1.068 460 R CB 0.055 30.381 30.300 0.043 0.000 1.351 460 R HN 0.881 nan 8.270 nan 0.000 0.575 461 Q N -0.513 119.393 119.800 0.177 0.000 2.614 461 Q HA -0.064 -1.850 4.340 -10.211 0.000 0.244 461 Q C 0.017 176.135 176.000 0.197 0.000 1.097 461 Q CA -0.216 55.680 55.803 0.156 0.000 0.986 461 Q CB 0.423 29.194 28.738 0.054 0.000 1.308 461 Q HN 0.158 nan 8.270 nan 0.000 0.546 462 C N 2.072 121.511 119.300 0.231 0.000 2.334 462 C HA -0.097 -1.764 4.460 -10.211 0.000 0.395 462 C C 1.741 176.834 174.990 0.172 0.000 1.507 462 C CA -0.084 59.085 59.018 0.251 0.000 1.494 462 C CB -1.305 26.669 27.740 0.390 0.000 2.509 462 C HN 0.911 nan 8.230 nan 0.000 0.599 463 L N 5.988 127.315 121.223 0.173 0.000 2.141 463 L HA 0.195 -1.591 4.340 -10.211 0.000 0.209 463 L C 2.166 179.084 176.870 0.079 0.000 1.094 463 L CA 2.385 57.297 54.840 0.119 0.000 0.763 463 L CB -0.578 41.556 42.059 0.125 0.000 0.908 463 L HN 0.880 nan 8.230 nan 0.000 0.437 464 G N -1.280 107.579 108.800 0.099 0.000 3.383 464 G HA2 -0.029 -2.195 3.960 -10.211 0.000 0.251 464 G HA3 -0.029 -2.195 3.960 -10.211 0.000 0.251 464 G C 1.466 176.383 174.900 0.029 0.000 1.203 464 G CA 0.021 45.158 45.100 0.062 0.000 0.852 464 G HN 0.315 nan 8.290 nan 0.000 0.531 465 R N 0.350 120.827 120.500 -0.038 0.000 2.080 465 R HA -0.077 -1.864 4.340 -10.211 0.000 0.236 465 R C 2.497 178.604 176.300 -0.322 0.000 1.137 465 R CA 1.055 56.954 56.100 -0.334 0.000 0.943 465 R CB -0.074 29.974 30.300 -0.420 0.000 0.846 465 R HN 0.141 nan 8.270 nan 0.000 0.431 466 R N 0.423 120.833 120.500 -0.150 0.000 2.075 466 R HA -0.087 -1.874 4.340 -10.211 0.000 0.232 466 R C 2.361 178.667 176.300 0.010 0.000 1.126 466 R CA 1.272 57.330 56.100 -0.070 0.000 0.963 466 R CB -0.640 29.665 30.300 0.009 0.000 0.858 466 R HN 0.385 nan 8.270 nan 0.000 0.435 467 I N 0.860 121.445 120.570 0.024 0.000 2.163 467 I HA -0.275 -2.231 4.170 -10.211 0.000 0.243 467 I C 2.605 178.703 176.117 -0.032 0.000 1.085 467 I CA 1.469 62.742 61.300 -0.045 0.000 1.347 467 I CB -0.504 37.393 38.000 -0.172 0.000 1.044 467 I HN 0.111 nan 8.210 nan 0.000 0.408 468 A N 0.503 123.319 122.820 -0.006 0.000 1.873 468 A HA -0.213 -2.019 4.320 -10.211 0.000 0.215 468 A C 2.208 179.833 177.584 0.067 0.000 1.186 468 A CA 1.649 53.731 52.037 0.075 0.000 0.616 468 A CB -0.596 18.554 19.000 0.250 0.000 0.823 468 A HN 0.426 nan 8.150 nan 0.000 0.442 469 E N -0.084 120.094 120.200 -0.036 0.000 2.031 469 E HA -0.171 -1.947 4.350 -10.211 0.000 0.193 469 E C 1.997 178.611 176.600 0.023 0.000 0.994 469 E CA 1.369 57.754 56.400 -0.025 0.000 0.800 469 E CB -0.354 29.259 29.700 -0.144 0.000 0.752 469 E HN 0.608 nan 8.360 nan 0.000 0.447 470 L N 0.887 122.124 121.223 0.023 0.000 2.046 470 L HA -0.209 -1.996 4.340 -10.211 0.000 0.208 470 L C 2.705 179.623 176.870 0.081 0.000 1.077 470 L CA 1.273 56.147 54.840 0.057 0.000 0.747 470 L CB -0.417 41.697 42.059 0.091 0.000 0.896 470 L HN 0.205 nan 8.230 nan 0.000 0.432 471 E N 0.354 120.597 120.200 0.072 0.000 2.072 471 E HA -0.225 -2.002 4.350 -10.211 0.000 0.191 471 E C 2.328 179.040 176.600 0.187 0.000 0.985 471 E CA 1.166 57.631 56.400 0.108 0.000 0.801 471 E CB 0.005 29.719 29.700 0.025 0.000 0.750 471 E HN 0.444 nan 8.360 nan 0.000 0.452 472 M N 0.054 119.734 119.600 0.132 0.000 2.156 472 M HA -0.089 -1.735 4.480 -10.211 0.000 0.264 472 M C 2.324 178.696 176.300 0.121 0.000 1.067 472 M CA 1.590 56.962 55.300 0.120 0.000 1.131 472 M CB -0.077 32.577 32.600 0.089 0.000 1.368 472 M HN 0.090 nan 8.290 nan 0.000 0.416 473 T N 1.079 115.688 114.554 0.091 0.000 2.746 473 T HA -0.077 -1.853 4.350 -10.211 0.000 0.267 473 T C 1.744 176.489 174.700 0.075 0.000 1.039 473 T CA 1.232 63.370 62.100 0.064 0.000 1.142 473 T CB -0.340 68.557 68.868 0.049 0.000 0.866 473 T HN 0.293 nan 8.240 nan 0.000 0.444 474 I N 0.247 120.882 120.570 0.109 0.000 2.252 474 I HA -0.074 -2.031 4.170 -10.211 0.000 0.245 474 I C 2.101 178.289 176.117 0.119 0.000 1.102 474 I CA 1.076 62.442 61.300 0.110 0.000 1.385 474 I CB -0.367 37.711 38.000 0.129 0.000 1.064 474 I HN 0.124 nan 8.210 nan 0.000 0.414 475 F N 1.639 121.596 119.950 0.012 0.000 2.069 475 F HA -0.252 -1.852 4.527 -10.212 0.000 0.298 475 F C 2.183 177.910 175.800 -0.121 0.000 1.113 475 F CA 1.845 59.780 58.000 -0.109 0.000 1.214 475 F CB -0.271 38.589 39.000 -0.233 0.000 0.978 475 F HN -0.123 nan 8.300 nan 0.000 0.474 476 L N -0.230 121.013 121.223 0.034 0.000 2.141 476 L HA -0.197 -1.983 4.340 -10.211 0.000 0.209 476 L C 2.471 179.286 176.870 -0.092 0.000 1.094 476 L CA 0.932 55.725 54.840 -0.078 0.000 0.763 476 L CB -0.618 41.384 42.059 -0.094 0.000 0.908 476 L HN 0.223 nan 8.230 nan 0.000 0.437 477 I N -0.021 120.519 120.570 -0.050 0.000 2.127 477 I HA -0.339 -2.295 4.170 -10.211 0.000 0.241 477 I C 2.343 178.413 176.117 -0.079 0.000 1.075 477 I CA 1.402 62.677 61.300 -0.041 0.000 1.334 477 I CB -0.391 37.605 38.000 -0.007 0.000 1.040 477 I HN 0.393 nan 8.210 nan 0.000 0.405 478 N N 0.371 119.006 118.700 -0.110 0.000 2.084 478 N HA -0.160 -1.547 4.740 -10.211 0.000 0.190 478 N C 1.887 177.293 175.510 -0.174 0.000 1.030 478 N CA 1.387 54.359 53.050 -0.130 0.000 0.849 478 N CB -0.136 38.279 38.487 -0.120 0.000 1.012 478 N HN 0.272 nan 8.380 nan 0.000 0.423 479 M N 0.915 120.361 119.600 -0.258 0.000 2.086 479 M HA -0.062 -1.708 4.480 -10.211 0.000 0.261 479 M C 2.324 178.602 176.300 -0.037 0.000 1.067 479 M CA 0.957 56.185 55.300 -0.120 0.000 1.116 479 M CB -1.077 31.358 32.600 -0.275 0.000 1.348 479 M HN 0.111 nan 8.290 nan 0.000 0.407 480 L N -0.258 120.916 121.223 -0.083 0.000 2.083 480 L HA -0.210 -1.996 4.340 -10.211 0.000 0.209 480 L C 2.235 178.977 176.870 -0.213 0.000 1.083 480 L CA 1.201 55.978 54.840 -0.105 0.000 0.752 480 L CB -0.500 41.511 42.059 -0.080 0.000 0.899 480 L HN 0.376 nan 8.230 nan 0.000 0.433 481 E N -0.420 119.683 120.200 -0.162 0.000 2.268 481 E HA -0.142 -1.918 4.350 -10.211 0.000 0.195 481 E C 1.514 178.071 176.600 -0.071 0.000 0.995 481 E CA 0.687 57.016 56.400 -0.119 0.000 0.836 481 E CB 0.110 29.778 29.700 -0.054 0.000 0.763 481 E HN 0.502 nan 8.360 nan 0.000 0.491 482 N N -0.927 117.626 118.700 -0.243 0.000 2.397 482 N HA 0.102 -1.284 4.740 -10.211 0.000 0.190 482 N C -0.399 174.663 175.510 -0.747 0.000 1.099 482 N CA 0.406 53.115 53.050 -0.569 0.000 0.876 482 N CB 0.875 38.717 38.487 -1.074 0.000 1.143 482 N HN -0.046 nan 8.380 nan 0.000 0.468 483 F N 0.494 120.518 119.950 0.124 0.000 2.601 483 F HA 0.476 -1.124 4.527 -10.212 0.000 0.309 483 F C 0.122 176.056 175.800 0.223 0.000 1.089 483 F CA -1.061 57.065 58.000 0.210 0.000 0.940 483 F CB 1.663 40.782 39.000 0.200 0.000 1.273 483 F HN -0.500 nan 8.300 nan 0.000 0.450 484 R N 1.078 121.886 120.500 0.514 0.000 2.349 484 R HA 0.653 -1.134 4.340 -10.211 0.000 0.299 484 R C -1.253 175.288 176.300 0.403 0.000 1.027 484 R CA -0.886 55.442 56.100 0.379 0.000 0.958 484 R CB 2.259 32.757 30.300 0.329 0.000 1.047 484 R HN 0.510 nan 8.270 nan 0.000 0.468 485 V N 3.196 123.250 119.914 0.234 0.000 2.495 485 V HA 0.374 -1.633 4.120 -10.211 0.000 0.298 485 V C -0.762 175.375 176.094 0.072 0.000 1.031 485 V CA -0.290 62.040 62.300 0.051 0.000 0.871 485 V CB 1.693 33.483 31.823 -0.055 0.000 0.988 485 V HN 0.797 nan 8.190 nan 0.000 0.432 486 E N 5.585 125.813 120.200 0.046 0.000 2.392 486 E HA 0.640 -1.136 4.350 -10.211 0.000 0.269 486 E C -1.373 175.231 176.600 0.005 0.000 0.924 486 E CA -0.838 55.604 56.400 0.070 0.000 0.784 486 E CB 2.926 32.725 29.700 0.164 0.000 1.292 486 E HN 0.618 nan 8.360 nan 0.000 0.447 487 I N 1.265 121.811 120.570 -0.039 0.000 2.785 487 I HA 0.212 -1.744 4.170 -10.211 0.000 0.302 487 I C 0.551 176.591 176.117 -0.127 0.000 1.069 487 I CA -1.029 60.191 61.300 -0.134 0.000 1.045 487 I CB 1.723 39.625 38.000 -0.164 0.000 1.236 487 I HN 0.344 nan 8.210 nan 0.000 0.429 488 Q N 2.504 122.169 119.800 -0.224 0.000 2.668 488 Q HA 0.000 -1.786 4.340 -10.211 0.000 0.441 488 Q C 1.605 177.479 176.000 -0.212 0.000 1.115 488 Q CA 0.572 56.205 55.803 -0.284 0.000 0.690 488 Q CB -0.348 28.034 28.738 -0.594 0.000 4.428 488 Q HN 0.572 nan 8.270 nan 0.000 0.367 489 H N 0.272 119.331 119.070 -0.019 0.000 2.427 489 H HA -0.241 -1.812 4.556 -10.211 0.000 0.284 489 H C 0.940 176.267 175.328 -0.002 0.000 1.132 489 H CA 1.438 57.481 56.048 -0.009 0.000 1.149 489 H CB -0.477 29.280 29.762 -0.009 0.000 1.349 489 H HN 0.437 nan 8.280 nan 0.000 0.482 490 L N 1.146 122.397 121.223 0.047 0.000 3.487 490 L HA -0.206 -1.992 4.340 -10.211 0.000 0.450 490 L C 0.317 177.232 176.870 0.075 0.000 1.290 490 L CA 0.396 55.253 54.840 0.029 0.000 0.874 490 L CB -0.878 41.181 42.059 0.000 0.000 1.804 490 L HN 0.516 nan 8.230 nan 0.000 0.831 491 S N -1.870 113.896 115.700 0.110 0.000 2.617 491 S HA 0.411 -1.245 4.470 -10.211 0.000 0.269 491 S C 0.129 174.831 174.600 0.171 0.000 1.292 491 S CA -0.937 57.334 58.200 0.118 0.000 1.010 491 S CB 1.382 64.647 63.200 0.108 0.000 0.944 491 S HN 0.259 nan 8.310 nan 0.000 0.536 492 D N 1.202 121.706 120.400 0.173 0.000 2.390 492 D HA 0.230 -1.256 4.640 -10.211 0.000 0.249 492 D C -0.436 175.996 176.300 0.220 0.000 1.144 492 D CA -0.040 54.109 54.000 0.249 0.000 0.880 492 D CB 1.201 42.119 40.800 0.195 0.000 1.182 492 D HN 0.327 nan 8.370 nan 0.000 0.451 493 V N 2.528 122.594 119.914 0.253 0.000 2.370 493 V HA 0.390 -1.616 4.120 -10.211 0.000 0.279 493 V C 1.144 177.374 176.094 0.226 0.000 1.029 493 V CA -0.566 61.803 62.300 0.114 0.000 0.870 493 V CB 1.411 33.137 31.823 -0.161 0.000 0.984 493 V HN 0.606 nan 8.190 nan 0.000 0.451 494 G N 3.785 112.705 108.800 0.200 0.000 2.588 494 G HA2 0.461 -1.706 3.960 -10.211 0.000 0.278 494 G HA3 0.461 -1.706 3.960 -10.211 0.000 0.278 494 G C -0.193 174.892 174.900 0.309 0.000 1.307 494 G CA -0.217 45.032 45.100 0.248 0.000 1.016 494 G HN 0.593 nan 8.290 nan 0.000 0.503 495 T N -0.555 114.187 114.554 0.313 0.000 2.829 495 T HA 0.556 -1.220 4.350 -10.211 0.000 0.280 495 T C -0.241 174.573 174.700 0.190 0.000 0.999 495 T CA -0.165 62.078 62.100 0.240 0.000 0.983 495 T CB 1.683 70.581 68.868 0.051 0.000 0.968 495 T HN 0.498 nan 8.240 nan 0.000 0.446 496 T N 2.096 116.731 114.554 0.136 0.000 2.856 496 T HA 0.585 -1.191 4.350 -10.211 0.000 0.283 496 T C -1.228 173.572 174.700 0.167 0.000 1.008 496 T CA -0.656 61.558 62.100 0.190 0.000 0.997 496 T CB 0.368 69.320 68.868 0.141 0.000 0.992 496 T HN 0.445 nan 8.240 nan 0.000 0.454 497 F N 5.290 125.324 119.950 0.140 0.000 2.375 497 F HA 0.481 -1.120 4.527 -10.213 0.000 0.362 497 F C 0.471 176.412 175.800 0.235 0.000 1.129 497 F CA -0.661 57.419 58.000 0.133 0.000 1.154 497 F CB 0.361 39.473 39.000 0.186 0.000 1.205 497 F HN 0.455 nan 8.300 nan 0.000 0.513 498 N N 7.654 126.198 118.700 -0.259 0.000 2.699 498 N HA 0.171 -1.215 4.740 -10.211 0.000 0.317 498 N C 0.845 176.094 175.510 -0.435 0.000 1.661 498 N CA 0.068 52.991 53.050 -0.211 0.000 0.979 498 N CB 0.721 39.224 38.487 0.027 0.000 1.329 498 N HN 0.991 nan 8.380 nan 0.000 0.497 499 L N -0.782 119.781 121.223 -1.100 0.000 3.153 499 L HA -0.314 -2.100 4.340 -10.211 0.000 0.369 499 L C 0.019 176.567 176.870 -0.536 0.000 3.110 499 L CA 1.789 56.132 54.840 -0.828 0.000 2.423 499 L CB -0.981 41.051 42.059 -0.045 0.000 2.474 499 L HN 0.399 nan 8.230 nan 0.000 0.797 500 I N -0.266 120.017 120.570 -0.477 0.000 2.532 500 I HA 0.412 -1.544 4.170 -10.211 0.000 0.292 500 I C 0.304 176.324 176.117 -0.162 0.000 1.014 500 I CA -0.708 60.402 61.300 -0.317 0.000 1.340 500 I CB 0.603 38.317 38.000 -0.477 0.000 1.422 500 I HN 0.135 nan 8.210 nan 0.000 0.528 501 L N 5.904 127.134 121.223 0.011 0.000 2.380 501 L HA 0.453 -1.334 4.340 -10.211 0.000 0.273 501 L C 0.068 177.031 176.870 0.154 0.000 1.138 501 L CA 0.209 55.098 54.840 0.082 0.000 0.832 501 L CB 0.825 42.947 42.059 0.105 0.000 1.124 501 L HN 0.679 nan 8.230 nan 0.000 0.454 502 M N 3.564 123.265 119.600 0.168 0.000 2.631 502 M HA 0.453 -1.193 4.480 -10.211 0.000 0.288 502 M C -2.581 173.846 176.300 0.212 0.000 1.260 502 M CA -1.878 53.530 55.300 0.179 0.000 0.842 502 M CB 2.639 35.304 32.600 0.108 0.000 1.743 502 M HN 0.198 nan 8.290 nan 0.000 0.461 503 P HA 0.014 nan 4.420 nan 0.000 0.269 503 P C -0.168 177.124 177.300 -0.012 0.000 1.209 503 P CA 0.286 63.331 63.100 -0.092 0.000 0.776 503 P CB 0.514 31.847 31.700 -0.611 0.000 0.876 504 E N 3.052 123.282 120.200 0.050 0.000 2.152 504 E HA -0.130 -1.906 4.350 -10.211 0.000 0.192 504 E C 0.389 176.982 176.600 -0.011 0.000 0.983 504 E CA 0.953 57.383 56.400 0.050 0.000 0.818 504 E CB 0.118 29.875 29.700 0.095 0.000 0.758 504 E HN 0.413 nan 8.360 nan 0.000 0.467 505 K N -0.494 119.868 120.400 -0.063 0.000 2.522 505 K HA 0.467 -1.340 4.320 -10.211 0.000 0.275 505 K C -2.988 173.518 176.600 -0.158 0.000 1.006 505 K CA -2.102 54.133 56.287 -0.086 0.000 0.890 505 K CB 1.354 33.822 32.500 -0.053 0.000 1.475 505 K HN -0.294 nan 8.250 nan 0.000 0.441 506 P HA 0.184 nan 4.420 nan 0.000 0.269 506 P C -0.863 176.288 177.300 -0.247 0.000 1.209 506 P CA -0.081 62.905 63.100 -0.190 0.000 0.776 506 P CB 0.377 31.993 31.700 -0.139 0.000 0.876 507 I N 1.384 121.755 120.570 -0.332 0.000 2.382 507 I HA 0.208 -1.749 4.170 -10.211 0.000 0.286 507 I C -0.043 175.757 176.117 -0.528 0.000 1.002 507 I CA -0.493 60.524 61.300 -0.471 0.000 1.135 507 I CB 1.478 39.095 38.000 -0.639 0.000 1.288 507 I HN 0.270 nan 8.210 nan 0.000 0.448 508 S N 5.723 121.134 115.700 -0.482 0.000 2.429 508 S HA 0.652 -1.005 4.470 -10.211 0.000 0.302 508 S C -0.652 173.626 174.600 -0.537 0.000 1.115 508 S CA -0.669 57.281 58.200 -0.417 0.000 1.095 508 S CB 0.703 63.743 63.200 -0.266 0.000 0.987 508 S HN 0.296 nan 8.310 nan 0.000 0.474 509 F N 1.233 121.031 119.950 -0.254 0.000 2.377 509 F HA 0.481 -1.120 4.527 -10.213 0.000 0.328 509 F C 1.082 176.564 175.800 -0.530 0.000 1.094 509 F CA -0.569 57.171 58.000 -0.434 0.000 1.093 509 F CB 1.541 40.136 39.000 -0.675 0.000 1.214 509 F HN 0.426 nan 8.300 nan 0.000 0.518 510 T N 3.036 117.391 114.554 -0.332 0.000 2.779 510 T HA 0.475 -1.302 4.350 -10.211 0.000 0.280 510 T C -0.913 173.497 174.700 -0.483 0.000 0.987 510 T CA -0.405 61.471 62.100 -0.373 0.000 0.966 510 T CB 0.211 68.947 68.868 -0.220 0.000 0.933 510 T HN 0.177 nan 8.240 nan 0.000 0.442 511 F N 2.122 121.943 119.950 -0.214 0.000 2.436 511 F HA 0.589 -1.011 4.527 -10.211 0.000 0.340 511 F C -0.481 175.195 175.800 -0.207 0.000 1.113 511 F CA -0.974 56.948 58.000 -0.131 0.000 1.022 511 F CB 1.269 40.111 39.000 -0.264 0.000 1.128 511 F HN 0.511 nan 8.300 nan 0.000 0.466 512 W N 4.062 125.563 121.300 0.335 0.000 2.632 512 W HA 0.506 -0.961 4.660 -10.212 0.000 0.328 512 W C -2.564 174.192 176.519 0.395 0.000 1.044 512 W CA -2.538 54.983 57.345 0.293 0.000 1.225 512 W CB 0.930 30.510 29.460 0.199 0.000 1.396 512 W HN 0.220 nan 8.180 nan 0.000 0.499 513 P HA -0.002 nan 4.420 nan 0.000 0.271 513 P C -0.391 177.116 177.300 0.345 0.000 1.226 513 P CA 0.053 63.412 63.100 0.432 0.000 0.765 513 P CB 0.311 32.221 31.700 0.350 0.000 0.835 514 F N 0.000 120.029 119.950 0.131 0.000 2.286 514 F HA 0.000 -1.598 4.527 -10.208 0.000 0.279 514 F CA 0.000 58.051 58.000 0.086 0.000 1.383 514 F CB 0.000 39.027 39.000 0.045 0.000 1.145 514 F HN 0.000 nan 8.300 nan 0.000 0.574