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 2w7m_1_A DATA FIRST_RESID 1 DATA SEQUENCE MKYLPQQDPQ VFAAIEQERK RQHAKIELIA SENFVSRAVM EAQGSVLTNK DATA SEQUENCE YAEGYPGRRY AGGCEYVDIV EELARERAKQ LFGAEHANVQ PHSGAQANMA DATA SEQUENCE VYFTVLEHGD TVLGMNLSHG GHLTHGSPVN FSGVQYNFVA YGVDPETHVI DATA SEQUENCE DYDDVREKAR LHRPKLIVAA ASAYPRIIDF AKFREIADEV GAYLMVDMAH DATA SEQUENCE IAGLVAAGLH PNPVPYAHFV TTTTHKTLRG PRGGMILCQE QFAKQIDKAI DATA SEQUENCE FPGIQGGPLM HVIAAKAVAF GEALQDDFKA YAKRVVDNAK RLASALQNEG DATA SEQUENCE FTLVSGGTDN HLLLVDLRPQ QLTGKTAEKV LDEVGITVNK NTIPYDPESP DATA SEQUENCE FVTSGIRIGT AAVTTRGFGL EEMDEIAAII GLVLKNVGSE QALEEARQRV DATA SEQUENCE AALTD 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.242 176.300 -0.097 0.000 1.140 1 M CA 0.000 55.313 55.300 0.021 0.000 0.988 1 M CB 0.000 32.645 32.600 0.075 0.000 1.302 2 K N 0.492 120.833 120.400 -0.098 0.000 2.362 2 K HA 0.249 4.585 4.320 0.027 0.000 0.203 2 K C 0.638 177.009 176.600 -0.381 0.000 1.198 2 K CA 0.641 56.767 56.287 -0.268 0.000 0.908 2 K CB 0.508 32.810 32.500 -0.331 0.000 1.236 2 K HN 0.655 nan 8.250 nan 0.000 0.487 3 Y N 0.270 120.495 120.300 -0.125 0.000 2.441 3 Y HA 0.051 4.609 4.550 0.014 0.000 0.288 3 Y C 1.832 177.653 175.900 -0.132 0.000 1.118 3 Y CA 0.061 58.095 58.100 -0.110 0.000 1.215 3 Y CB 0.113 38.530 38.460 -0.071 0.000 1.118 3 Y HN 0.027 nan 8.280 nan 0.000 0.547 4 L N 1.546 122.772 121.223 0.006 0.000 2.046 4 L HA -0.064 4.292 4.340 0.027 0.000 0.208 4 L C -0.965 175.789 176.870 -0.193 0.000 1.077 4 L CA 1.926 56.741 54.840 -0.042 0.000 0.747 4 L CB -1.525 40.558 42.059 0.039 0.000 0.896 4 L HN -0.013 nan 8.230 nan 0.000 0.432 5 P HA -0.201 nan 4.420 nan 0.000 0.216 5 P C 1.398 178.541 177.300 -0.262 0.000 1.150 5 P CA 1.322 63.996 63.100 -0.711 0.000 0.837 5 P CB 0.076 31.169 31.700 -1.013 0.000 0.786 6 Q N -0.304 119.378 119.800 -0.196 0.000 2.123 6 Q HA -0.159 4.198 4.340 0.027 0.000 0.196 6 Q C 2.317 178.291 176.000 -0.044 0.000 0.958 6 Q CA 1.496 57.237 55.803 -0.103 0.000 0.841 6 Q CB -0.916 27.760 28.738 -0.104 0.000 0.915 6 Q HN -0.005 nan 8.270 nan 0.000 0.455 7 Q N 0.331 120.117 119.800 -0.023 0.000 2.079 7 Q HA -0.053 4.303 4.340 0.027 0.000 0.200 7 Q C -0.336 175.672 176.000 0.013 0.000 0.974 7 Q CA 1.670 57.477 55.803 0.007 0.000 0.840 7 Q CB 0.223 28.977 28.738 0.027 0.000 0.898 7 Q HN 0.257 nan 8.270 nan 0.000 0.430 8 D N -1.333 119.080 120.400 0.020 0.000 2.429 8 D HA 0.210 4.866 4.640 0.027 0.000 0.255 8 D C -2.239 174.114 176.300 0.089 0.000 1.257 8 D CA -1.744 52.285 54.000 0.048 0.000 0.890 8 D CB 1.331 42.164 40.800 0.055 0.000 1.267 8 D HN -0.026 nan 8.370 nan 0.000 0.521 9 P HA -0.160 nan 4.420 nan 0.000 0.216 9 P C 1.440 178.820 177.300 0.133 0.000 1.153 9 P CA 1.260 64.432 63.100 0.121 0.000 0.858 9 P CB 0.552 32.295 31.700 0.072 0.000 0.789 10 Q N -0.832 119.017 119.800 0.083 0.000 2.050 10 Q HA -0.112 4.244 4.340 0.027 0.000 0.202 10 Q C 2.139 178.177 176.000 0.063 0.000 0.980 10 Q CA 1.401 57.239 55.803 0.059 0.000 0.840 10 Q CB -0.793 27.968 28.738 0.038 0.000 0.898 10 Q HN 0.100 nan 8.270 nan 0.000 0.424 11 V N 0.472 120.434 119.914 0.080 0.000 2.358 11 V HA -0.234 3.902 4.120 0.027 0.000 0.246 11 V C 1.928 178.087 176.094 0.109 0.000 1.047 11 V CA 1.655 64.001 62.300 0.077 0.000 1.035 11 V CB -0.586 31.282 31.823 0.075 0.000 0.658 11 V HN 0.315 nan 8.190 nan 0.000 0.452 12 F N 1.630 121.583 119.950 0.005 0.000 2.126 12 F HA -0.179 4.354 4.527 0.010 0.000 0.299 12 F C 2.282 178.083 175.800 0.003 0.000 1.096 12 F CA 1.413 59.416 58.000 0.005 0.000 1.255 12 F CB -0.651 38.352 39.000 0.004 0.000 0.997 12 F HN 0.080 nan 8.300 nan 0.000 0.479 13 A N 0.250 123.035 122.820 -0.058 0.000 1.902 13 A HA -0.066 4.271 4.320 0.027 0.000 0.217 13 A C 2.415 179.903 177.584 -0.161 0.000 1.181 13 A CA 1.883 53.829 52.037 -0.151 0.000 0.623 13 A CB -1.546 17.440 19.000 -0.023 0.000 0.818 13 A HN 0.499 nan 8.150 nan 0.000 0.443 14 A N -0.265 122.502 122.820 -0.089 0.000 1.930 14 A HA -0.009 4.327 4.320 0.027 0.000 0.217 14 A C 2.111 179.639 177.584 -0.093 0.000 1.175 14 A CA 1.370 53.366 52.037 -0.068 0.000 0.627 14 A CB -0.529 18.455 19.000 -0.027 0.000 0.815 14 A HN 0.487 nan 8.150 nan 0.000 0.443 15 I N -0.376 120.123 120.570 -0.118 0.000 2.226 15 I HA -0.204 3.982 4.170 0.027 0.000 0.245 15 I C 2.429 178.436 176.117 -0.183 0.000 1.100 15 I CA 1.167 62.398 61.300 -0.114 0.000 1.374 15 I CB -0.300 37.662 38.000 -0.063 0.000 1.057 15 I HN 0.293 nan 8.210 nan 0.000 0.413 16 E N 0.641 120.629 120.200 -0.353 0.000 2.110 16 E HA -0.250 4.116 4.350 0.027 0.000 0.193 16 E C 2.143 178.633 176.600 -0.184 0.000 0.988 16 E CA 1.229 57.422 56.400 -0.346 0.000 0.804 16 E CB -0.268 29.096 29.700 -0.559 0.000 0.745 16 E HN 0.597 nan 8.360 nan 0.000 0.458 17 Q N 0.316 120.027 119.800 -0.148 0.000 2.061 17 Q HA -0.215 4.141 4.340 0.027 0.000 0.204 17 Q C 2.173 178.142 176.000 -0.050 0.000 0.984 17 Q CA 1.670 57.424 55.803 -0.081 0.000 0.846 17 Q CB -0.138 28.563 28.738 -0.062 0.000 0.902 17 Q HN 0.105 nan 8.270 nan 0.000 0.421 18 E N 1.102 121.272 120.200 -0.049 0.000 2.077 18 E HA -0.210 4.157 4.350 0.027 0.000 0.193 18 E C 1.829 178.428 176.600 -0.002 0.000 0.989 18 E CA 1.386 57.776 56.400 -0.016 0.000 0.800 18 E CB -0.078 29.614 29.700 -0.012 0.000 0.746 18 E HN 0.176 nan 8.360 nan 0.000 0.452 19 R N 0.152 120.635 120.500 -0.028 0.000 2.073 19 R HA -0.129 4.227 4.340 0.027 0.000 0.234 19 R C 2.156 178.451 176.300 -0.008 0.000 1.134 19 R CA 1.899 57.988 56.100 -0.019 0.000 0.952 19 R CB -0.061 30.208 30.300 -0.051 0.000 0.850 19 R HN 0.079 nan 8.270 nan 0.000 0.433 20 K N -0.286 120.099 120.400 -0.024 0.000 2.097 20 K HA -0.121 4.215 4.320 0.027 0.000 0.205 20 K C 2.264 178.890 176.600 0.043 0.000 1.050 20 K CA 1.069 57.353 56.287 -0.004 0.000 0.938 20 K CB -0.164 32.317 32.500 -0.031 0.000 0.718 20 K HN 0.122 nan 8.250 nan 0.000 0.442 21 R N 1.547 122.065 120.500 0.030 0.000 2.083 21 R HA -0.197 4.159 4.340 0.027 0.000 0.237 21 R C 2.116 178.457 176.300 0.068 0.000 1.137 21 R CA 1.783 57.909 56.100 0.044 0.000 0.951 21 R CB -0.100 30.219 30.300 0.032 0.000 0.851 21 R HN 0.284 nan 8.270 nan 0.000 0.434 22 Q N -1.173 118.675 119.800 0.080 0.000 2.181 22 Q HA -0.226 4.130 4.340 0.027 0.000 0.205 22 Q C 2.064 178.077 176.000 0.022 0.000 0.980 22 Q CA 1.507 57.381 55.803 0.118 0.000 0.862 22 Q CB -0.176 28.658 28.738 0.159 0.000 0.905 22 Q HN 0.537 nan 8.270 nan 0.000 0.429 23 H N -0.712 118.313 119.070 -0.076 0.000 2.415 23 H HA 0.106 4.677 4.556 0.026 0.000 0.297 23 H C 1.759 177.066 175.328 -0.034 0.000 1.048 23 H CA 1.181 57.167 56.048 -0.103 0.000 1.365 23 H CB 0.375 30.083 29.762 -0.089 0.000 1.421 23 H HN 0.238 nan 8.280 nan 0.000 0.533 24 A N 1.699 124.573 122.820 0.090 0.000 1.929 24 A HA 0.006 4.343 4.320 0.027 0.000 0.216 24 A C 1.106 178.706 177.584 0.027 0.000 1.176 24 A CA 0.438 52.516 52.037 0.069 0.000 0.628 24 A CB 0.038 19.089 19.000 0.086 0.000 0.816 24 A HN 0.107 nan 8.150 nan 0.000 0.444 25 K N -0.002 120.416 120.400 0.030 0.000 2.154 25 K HA 0.444 4.780 4.320 0.027 0.000 0.264 25 K C -0.650 175.967 176.600 0.029 0.000 1.008 25 K CA -0.310 55.999 56.287 0.037 0.000 0.937 25 K CB 0.887 33.416 32.500 0.047 0.000 1.002 25 K HN 0.266 nan 8.250 nan 0.000 0.469 26 I N 2.143 122.738 120.570 0.041 0.000 2.294 26 I HA 0.022 4.208 4.170 0.027 0.000 0.295 26 I C 0.381 176.510 176.117 0.019 0.000 1.098 26 I CA -0.370 60.949 61.300 0.031 0.000 1.277 26 I CB 0.355 38.408 38.000 0.089 0.000 1.434 26 I HN 0.383 nan 8.210 nan 0.000 0.498 27 E N 6.736 126.945 120.200 0.014 0.000 2.052 27 E HA 0.258 4.624 4.350 0.027 0.000 0.283 27 E C 0.059 176.643 176.600 -0.027 0.000 1.071 27 E CA 0.059 56.466 56.400 0.012 0.000 0.851 27 E CB 0.597 30.325 29.700 0.048 0.000 1.066 27 E HN 0.554 nan 8.360 nan 0.000 0.396 28 L N 5.042 126.254 121.223 -0.017 0.000 2.857 28 L HA 0.351 4.708 4.340 0.027 0.000 0.249 28 L C 0.113 176.975 176.870 -0.013 0.000 1.172 28 L CA -0.341 54.488 54.840 -0.017 0.000 0.980 28 L CB 0.118 42.169 42.059 -0.013 0.000 1.299 28 L HN 0.520 nan 8.230 nan 0.000 0.535 29 I N 1.073 121.633 120.570 -0.016 0.000 2.587 29 I HA -0.050 4.136 4.170 0.027 0.000 0.284 29 I C 1.633 177.768 176.117 0.030 0.000 1.134 29 I CA 0.019 61.321 61.300 0.003 0.000 1.410 29 I CB 1.393 39.390 38.000 -0.004 0.000 1.392 29 I HN 0.175 nan 8.210 nan 0.000 0.545 30 A N 4.584 127.453 122.820 0.081 0.000 2.070 30 A HA -0.146 4.191 4.320 0.027 0.000 0.220 30 A C 2.156 179.891 177.584 0.251 0.000 1.159 30 A CA 1.788 53.929 52.037 0.174 0.000 0.656 30 A CB -0.404 18.686 19.000 0.149 0.000 0.800 30 A HN 0.805 nan 8.150 nan 0.000 0.453 31 S N -0.990 114.797 115.700 0.146 0.000 2.548 31 S HA 0.171 4.657 4.470 0.027 0.000 0.215 31 S C 0.415 174.987 174.600 -0.047 0.000 0.976 31 S CA -0.253 57.917 58.200 -0.050 0.000 0.908 31 S CB 0.062 63.255 63.200 -0.012 0.000 0.781 31 S HN 0.612 nan 8.310 nan 0.000 0.519 32 E N 1.021 121.195 120.200 -0.042 0.000 2.232 32 E HA 0.548 4.915 4.350 0.027 0.000 0.265 32 E C -0.630 175.855 176.600 -0.192 0.000 1.001 32 E CA -0.781 55.550 56.400 -0.116 0.000 0.870 32 E CB 0.821 30.424 29.700 -0.161 0.000 1.175 32 E HN 0.152 nan 8.360 nan 0.000 0.407 33 N N 0.052 118.573 118.700 -0.298 0.000 3.277 33 N HA 0.366 5.122 4.740 0.027 0.000 0.278 33 N C -1.906 173.267 175.510 -0.562 0.000 1.544 33 N CA -0.551 52.281 53.050 -0.363 0.000 0.869 33 N CB 1.009 39.449 38.487 -0.079 0.000 1.584 33 N HN 0.203 nan 8.380 nan 0.000 0.564 34 F N 1.097 121.052 119.950 0.008 0.000 2.460 34 F HA 0.366 4.905 4.527 0.019 0.000 0.341 34 F C 0.662 176.455 175.800 -0.012 0.000 1.130 34 F CA -0.876 57.119 58.000 -0.007 0.000 0.962 34 F CB 1.197 40.185 39.000 -0.020 0.000 1.171 34 F HN 0.123 nan 8.300 nan 0.000 0.436 35 V N 0.458 120.466 119.914 0.155 0.000 3.003 35 V HA 0.608 4.745 4.120 0.027 0.000 0.305 35 V C 0.432 176.570 176.094 0.073 0.000 1.078 35 V CA -0.882 61.468 62.300 0.084 0.000 1.083 35 V CB 1.035 32.887 31.823 0.049 0.000 1.039 35 V HN 0.837 nan 8.190 nan 0.000 0.481 36 S N 3.041 118.764 115.700 0.038 0.000 2.589 36 S HA 0.290 4.777 4.470 0.027 0.000 0.265 36 S C 0.901 175.514 174.600 0.021 0.000 1.342 36 S CA -0.076 58.138 58.200 0.024 0.000 1.005 36 S CB 0.562 63.768 63.200 0.011 0.000 0.909 36 S HN 0.764 nan 8.310 nan 0.000 0.555 37 R N 0.838 121.348 120.500 0.016 0.000 2.115 37 R HA -0.042 4.314 4.340 0.027 0.000 0.230 37 R C 2.541 178.846 176.300 0.009 0.000 1.111 37 R CA 1.228 57.337 56.100 0.015 0.000 0.976 37 R CB -0.883 29.425 30.300 0.012 0.000 0.870 37 R HN 0.824 nan 8.270 nan 0.000 0.445 38 A N 0.579 123.401 122.820 0.003 0.000 1.877 38 A HA -0.118 4.218 4.320 0.027 0.000 0.216 38 A C 2.300 179.878 177.584 -0.012 0.000 1.186 38 A CA 1.338 53.372 52.037 -0.004 0.000 0.620 38 A CB -0.543 18.453 19.000 -0.007 0.000 0.822 38 A HN 0.113 nan 8.150 nan 0.000 0.443 39 V N 0.008 119.914 119.914 -0.014 0.000 2.332 39 V HA -0.340 3.796 4.120 0.027 0.000 0.248 39 V C 2.666 178.751 176.094 -0.015 0.000 1.055 39 V CA 2.359 64.642 62.300 -0.028 0.000 1.038 39 V CB -0.694 31.113 31.823 -0.028 0.000 0.651 39 V HN 0.581 nan 8.190 nan 0.000 0.450 40 M N -0.855 118.747 119.600 0.002 0.000 2.132 40 M HA -0.192 4.305 4.480 0.027 0.000 0.263 40 M C 2.205 178.514 176.300 0.015 0.000 1.065 40 M CA 1.789 57.097 55.300 0.013 0.000 1.122 40 M CB -0.522 32.093 32.600 0.024 0.000 1.365 40 M HN 0.371 nan 8.290 nan 0.000 0.411 41 E N 0.479 120.685 120.200 0.011 0.000 2.110 41 E HA -0.176 4.191 4.350 0.027 0.000 0.193 41 E C 2.097 178.702 176.600 0.008 0.000 0.988 41 E CA 1.265 57.671 56.400 0.010 0.000 0.804 41 E CB -0.149 29.554 29.700 0.005 0.000 0.745 41 E HN 0.511 nan 8.360 nan 0.000 0.458 42 A N 1.294 124.115 122.820 0.001 0.000 1.902 42 A HA -0.241 4.095 4.320 0.027 0.000 0.217 42 A C 2.051 179.654 177.584 0.033 0.000 1.181 42 A CA 1.290 53.328 52.037 0.002 0.000 0.623 42 A CB -0.385 18.600 19.000 -0.025 0.000 0.818 42 A HN 0.182 nan 8.150 nan 0.000 0.443 43 Q N -0.976 118.843 119.800 0.032 0.000 2.224 43 Q HA -0.096 4.260 4.340 0.027 0.000 0.203 43 Q C 1.707 177.785 176.000 0.129 0.000 0.970 43 Q CA 1.092 56.947 55.803 0.088 0.000 0.865 43 Q CB -0.293 28.469 28.738 0.040 0.000 0.922 43 Q HN 0.657 nan 8.270 nan 0.000 0.445 44 G N 1.152 109.985 108.800 0.055 0.000 3.383 44 G HA2 0.049 4.025 3.960 0.027 0.000 0.251 44 G HA3 0.049 4.025 3.960 0.027 0.000 0.251 44 G C 0.291 175.185 174.900 -0.010 0.000 1.203 44 G CA -0.000 45.113 45.100 0.022 0.000 0.852 44 G HN 0.251 nan 8.290 nan 0.000 0.531 45 S N -0.819 114.881 115.700 -0.001 0.000 2.693 45 S HA 0.300 4.786 4.470 0.027 0.000 0.276 45 S C 1.555 176.113 174.600 -0.070 0.000 1.192 45 S CA 0.014 58.200 58.200 -0.024 0.000 0.994 45 S CB 1.538 64.738 63.200 0.001 0.000 1.012 45 S HN 0.534 nan 8.310 nan 0.000 0.550 46 V N -0.856 119.018 119.914 -0.066 0.000 3.241 46 V HA 0.012 4.148 4.120 0.027 0.000 0.269 46 V C 1.655 177.700 176.094 -0.082 0.000 1.151 46 V CA 0.916 63.166 62.300 -0.083 0.000 1.158 46 V CB -1.406 30.379 31.823 -0.063 0.000 0.764 46 V HN 0.687 nan 8.190 nan 0.000 0.508 47 L N 0.986 122.178 121.223 -0.051 0.000 2.353 47 L HA -0.079 4.277 4.340 0.027 0.000 0.220 47 L C 2.741 179.571 176.870 -0.066 0.000 1.133 47 L CA 2.254 57.085 54.840 -0.014 0.000 0.798 47 L CB -1.318 40.773 42.059 0.054 0.000 0.922 47 L HN 0.530 nan 8.230 nan 0.000 0.445 48 T N -1.039 113.346 114.554 -0.283 0.000 2.929 48 T HA -0.176 4.190 4.350 0.027 0.000 0.271 48 T C 1.577 176.132 174.700 -0.242 0.000 1.085 48 T CA 1.733 63.530 62.100 -0.505 0.000 1.125 48 T CB -0.383 67.963 68.868 -0.870 0.000 0.874 48 T HN 0.531 nan 8.240 nan 0.000 0.494 49 N N -0.039 118.566 118.700 -0.158 0.000 2.512 49 N HA 0.021 4.777 4.740 0.027 0.000 0.183 49 N C 0.346 175.822 175.510 -0.057 0.000 1.073 49 N CA 0.221 53.213 53.050 -0.097 0.000 0.911 49 N CB 0.137 38.584 38.487 -0.067 0.000 0.964 49 N HN 0.122 nan 8.380 nan 0.000 0.447 50 K N 0.805 121.169 120.400 -0.059 0.000 2.263 50 K HA 0.155 4.491 4.320 0.027 0.000 0.272 50 K C -1.479 175.093 176.600 -0.046 0.000 1.033 50 K CA -0.516 55.762 56.287 -0.015 0.000 0.884 50 K CB 0.168 32.672 32.500 0.006 0.000 1.107 50 K HN -0.065 nan 8.250 nan 0.000 0.460 51 Y N 2.450 122.736 120.300 -0.024 0.000 2.436 51 Y HA 0.312 4.882 4.550 0.034 0.000 0.336 51 Y C 0.490 176.355 175.900 -0.059 0.000 1.049 51 Y CA 0.338 58.414 58.100 -0.040 0.000 1.294 51 Y CB 1.218 39.658 38.460 -0.034 0.000 1.179 51 Y HN 0.709 nan 8.280 nan 0.000 0.520 52 A N 4.375 127.237 122.820 0.071 0.000 2.992 52 A HA 0.282 4.618 4.320 0.027 0.000 0.263 52 A C -0.183 177.318 177.584 -0.138 0.000 0.928 52 A CA -0.632 51.392 52.037 -0.023 0.000 1.061 52 A CB -0.378 18.590 19.000 -0.054 0.000 1.173 52 A HN 0.785 nan 8.150 nan 0.000 0.482 53 E N 0.330 120.443 120.200 -0.144 0.000 2.452 53 E HA 0.380 4.746 4.350 0.027 0.000 0.261 53 E C 1.027 177.404 176.600 -0.371 0.000 0.987 53 E CA 1.337 57.403 56.400 -0.558 0.000 0.926 53 E CB 0.532 29.869 29.700 -0.604 0.000 0.934 53 E HN 1.039 nan 8.360 nan 0.000 0.452 54 G N 1.659 110.099 108.800 -0.600 0.000 2.451 54 G HA2 -0.204 3.772 3.960 0.027 0.000 0.208 54 G HA3 -0.204 3.772 3.960 0.027 0.000 0.208 54 G C -1.468 173.113 174.900 -0.532 0.000 1.248 54 G CA -0.733 44.304 45.100 -0.105 0.000 0.989 54 G HN 0.435 nan 8.290 nan 0.000 0.559 55 Y N -0.137 120.182 120.300 0.032 0.000 2.609 55 Y HA 0.605 5.171 4.550 0.028 0.000 0.342 55 Y C -2.112 173.786 175.900 -0.004 0.000 1.058 55 Y CA -1.802 56.316 58.100 0.031 0.000 1.055 55 Y CB 2.066 40.575 38.460 0.080 0.000 1.292 55 Y HN 0.443 nan 8.280 nan 0.000 0.476 56 P HA 0.065 nan 4.420 nan 0.000 0.262 56 P C 0.622 177.956 177.300 0.057 0.000 1.182 56 P CA 1.971 65.117 63.100 0.077 0.000 0.761 56 P CB 0.318 32.069 31.700 0.084 0.000 0.795 57 G N 3.045 111.851 108.800 0.010 0.000 2.189 57 G HA2 -0.277 3.699 3.960 0.027 0.000 0.267 57 G HA3 -0.277 3.699 3.960 0.027 0.000 0.267 57 G C 0.549 175.437 174.900 -0.020 0.000 0.975 57 G CA -0.140 44.955 45.100 -0.007 0.000 0.644 57 G HN 0.561 nan 8.290 nan 0.000 0.537 58 R N -0.170 120.319 120.500 -0.019 0.000 2.635 58 R HA 0.221 4.577 4.340 0.027 0.000 0.393 58 R C 0.473 176.667 176.300 -0.177 0.000 1.070 58 R CA -0.470 55.586 56.100 -0.073 0.000 1.118 58 R CB 0.298 30.598 30.300 -0.000 0.000 1.341 58 R HN 0.278 nan 8.270 nan 0.000 0.628 59 R N 0.053 120.454 120.500 -0.166 0.000 2.577 59 R HA 0.235 4.591 4.340 0.027 0.000 0.269 59 R C 0.316 176.451 176.300 -0.275 0.000 1.084 59 R CA -0.251 55.744 56.100 -0.176 0.000 1.163 59 R CB 0.484 30.737 30.300 -0.079 0.000 1.100 59 R HN 0.129 nan 8.270 nan 0.000 0.547 60 Y N -0.612 119.685 120.300 -0.005 0.000 2.683 60 Y HA 0.406 4.972 4.550 0.026 0.000 0.297 60 Y C 0.465 176.361 175.900 -0.007 0.000 1.147 60 Y CA -0.136 57.975 58.100 0.019 0.000 1.274 60 Y CB 0.638 39.136 38.460 0.063 0.000 1.143 60 Y HN 0.577 nan 8.280 nan 0.000 0.527 61 A N -0.720 122.140 122.820 0.065 0.000 2.594 61 A HA 0.679 5.015 4.320 0.027 0.000 0.296 61 A C 0.072 177.657 177.584 0.001 0.000 1.061 61 A CA -0.342 51.716 52.037 0.036 0.000 0.689 61 A CB 0.137 19.160 19.000 0.040 0.000 1.280 61 A HN 0.264 nan 8.150 nan 0.000 0.406 62 G N -0.564 108.234 108.800 -0.003 0.000 2.616 62 G HA2 0.550 4.526 3.960 0.027 0.000 0.268 62 G HA3 0.550 4.526 3.960 0.027 0.000 0.268 62 G C 1.184 176.069 174.900 -0.025 0.000 1.213 62 G CA 0.258 45.346 45.100 -0.022 0.000 0.926 62 G HN 2.511 nan 8.290 nan 0.000 0.523 63 G N -2.319 106.451 108.800 -0.050 0.000 2.143 63 G HA2 -0.283 3.693 3.960 0.027 0.000 0.248 63 G HA3 -0.283 3.693 3.960 0.027 0.000 0.248 63 G C 0.874 175.729 174.900 -0.074 0.000 0.991 63 G CA 0.559 45.626 45.100 -0.056 0.000 0.689 63 G HN 0.909 nan 8.290 nan 0.000 0.522 64 C N 0.065 119.308 119.300 -0.095 0.000 2.791 64 C HA 0.329 4.805 4.460 0.027 0.000 0.270 64 C C 2.304 177.204 174.990 -0.151 0.000 1.257 64 C CA 0.472 59.440 59.018 -0.084 0.000 1.699 64 C CB -0.401 27.306 27.740 -0.055 0.000 1.904 64 C HN 0.657 nan 8.230 nan 0.000 0.603 65 E N 0.893 120.908 120.200 -0.308 0.000 2.114 65 E HA -0.240 4.126 4.350 0.027 0.000 0.199 65 E C 1.204 177.603 176.600 -0.336 0.000 1.008 65 E CA 1.985 58.132 56.400 -0.422 0.000 0.810 65 E CB -0.263 29.000 29.700 -0.727 0.000 0.739 65 E HN 0.810 nan 8.360 nan 0.000 0.456 66 Y N -0.857 119.443 120.300 -0.000 0.000 2.347 66 Y HA -0.051 4.516 4.550 0.027 0.000 0.294 66 Y C 2.344 178.243 175.900 -0.001 0.000 1.117 66 Y CA 0.409 58.509 58.100 -0.001 0.000 1.184 66 Y CB -0.244 38.214 38.460 -0.003 0.000 1.047 66 Y HN 0.014 nan 8.280 nan 0.000 0.546 67 V N -1.867 118.114 119.914 0.113 0.000 2.626 67 V HA -0.196 3.940 4.120 0.027 0.000 0.252 67 V C 1.331 177.444 176.094 0.033 0.000 1.067 67 V CA 1.981 64.317 62.300 0.059 0.000 1.081 67 V CB -0.492 31.351 31.823 0.033 0.000 0.686 67 V HN 0.186 nan 8.190 nan 0.000 0.468 68 D N 0.995 121.402 120.400 0.013 0.000 2.117 68 D HA -0.078 4.579 4.640 0.027 0.000 0.197 68 D C 2.054 178.374 176.300 0.033 0.000 0.987 68 D CA 1.899 55.906 54.000 0.012 0.000 0.829 68 D CB -0.295 40.496 40.800 -0.016 0.000 0.961 68 D HN 0.529 nan 8.370 nan 0.000 0.460 69 I N 0.158 120.756 120.570 0.048 0.000 2.226 69 I HA -0.237 3.949 4.170 0.027 0.000 0.245 69 I C 2.364 178.513 176.117 0.054 0.000 1.100 69 I CA 0.610 61.947 61.300 0.061 0.000 1.374 69 I CB -0.149 37.908 38.000 0.097 0.000 1.057 69 I HN -0.093 nan 8.210 nan 0.000 0.413 70 V N 0.631 120.578 119.914 0.054 0.000 2.295 70 V HA -0.316 3.820 4.120 0.027 0.000 0.246 70 V C 2.491 178.604 176.094 0.031 0.000 1.049 70 V CA 2.273 64.594 62.300 0.035 0.000 1.024 70 V CB -0.608 31.233 31.823 0.030 0.000 0.648 70 V HN 0.489 nan 8.190 nan 0.000 0.447 71 E N -0.315 119.906 120.200 0.036 0.000 2.077 71 E HA -0.227 4.139 4.350 0.027 0.000 0.193 71 E C 2.246 178.885 176.600 0.066 0.000 0.989 71 E CA 1.160 57.588 56.400 0.047 0.000 0.800 71 E CB -0.024 29.704 29.700 0.047 0.000 0.746 71 E HN 0.538 nan 8.360 nan 0.000 0.452 72 E N 0.498 120.734 120.200 0.061 0.000 2.110 72 E HA -0.171 4.195 4.350 0.027 0.000 0.193 72 E C 2.290 178.927 176.600 0.061 0.000 0.988 72 E CA 0.653 57.089 56.400 0.060 0.000 0.804 72 E CB -0.137 29.594 29.700 0.051 0.000 0.745 72 E HN 0.398 nan 8.360 nan 0.000 0.458 73 L N 0.438 121.696 121.223 0.058 0.000 2.042 73 L HA -0.208 4.149 4.340 0.027 0.000 0.210 73 L C 2.570 179.502 176.870 0.103 0.000 1.076 73 L CA 1.296 56.173 54.840 0.062 0.000 0.749 73 L CB -0.503 41.582 42.059 0.044 0.000 0.893 73 L HN 0.074 nan 8.230 nan 0.000 0.432 74 A N -0.006 122.882 122.820 0.114 0.000 1.877 74 A HA -0.198 4.138 4.320 0.027 0.000 0.216 74 A C 2.379 180.135 177.584 0.287 0.000 1.186 74 A CA 1.476 53.652 52.037 0.230 0.000 0.620 74 A CB -0.465 18.610 19.000 0.124 0.000 0.822 74 A HN 0.319 nan 8.150 nan 0.000 0.443 75 R N -0.634 119.954 120.500 0.146 0.000 2.081 75 R HA -0.095 4.262 4.340 0.027 0.000 0.235 75 R C 2.023 178.343 176.300 0.032 0.000 1.131 75 R CA 1.335 57.474 56.100 0.065 0.000 0.960 75 R CB -0.312 29.999 30.300 0.019 0.000 0.856 75 R HN 0.469 nan 8.270 nan 0.000 0.436 76 E N 0.651 120.879 120.200 0.047 0.000 2.107 76 E HA -0.118 4.248 4.350 0.027 0.000 0.191 76 E C 2.030 178.638 176.600 0.013 0.000 0.982 76 E CA 1.020 57.436 56.400 0.025 0.000 0.809 76 E CB -0.066 29.652 29.700 0.030 0.000 0.756 76 E HN 0.294 nan 8.360 nan 0.000 0.459 77 R N 0.472 121.002 120.500 0.049 0.000 2.115 77 R HA 0.009 4.365 4.340 0.027 0.000 0.230 77 R C 2.299 178.538 176.300 -0.102 0.000 1.111 77 R CA 1.065 57.181 56.100 0.027 0.000 0.976 77 R CB -0.230 30.154 30.300 0.140 0.000 0.870 77 R HN 0.084 nan 8.270 nan 0.000 0.445 78 A N 1.434 124.157 122.820 -0.161 0.000 1.898 78 A HA -0.180 4.156 4.320 0.027 0.000 0.216 78 A C 1.861 179.379 177.584 -0.108 0.000 1.181 78 A CA 1.347 53.173 52.037 -0.351 0.000 0.620 78 A CB -0.191 18.583 19.000 -0.377 0.000 0.819 78 A HN 0.172 nan 8.150 nan 0.000 0.442 79 K N -0.742 119.620 120.400 -0.062 0.000 2.097 79 K HA -0.153 4.183 4.320 0.027 0.000 0.205 79 K C 2.353 178.929 176.600 -0.039 0.000 1.050 79 K CA 1.457 57.730 56.287 -0.023 0.000 0.938 79 K CB -0.131 32.360 32.500 -0.015 0.000 0.718 79 K HN 0.647 nan 8.250 nan 0.000 0.442 80 Q N 0.494 120.254 119.800 -0.068 0.000 2.119 80 Q HA -0.156 4.200 4.340 0.027 0.000 0.201 80 Q C 1.984 177.892 176.000 -0.152 0.000 0.972 80 Q CA 0.995 56.748 55.803 -0.083 0.000 0.847 80 Q CB 0.088 28.785 28.738 -0.069 0.000 0.903 80 Q HN 0.143 nan 8.270 nan 0.000 0.433 81 L N -0.656 120.407 121.223 -0.267 0.000 2.056 81 L HA -0.083 4.273 4.340 0.027 0.000 0.207 81 L C 1.264 177.758 176.870 -0.626 0.000 1.078 81 L CA 1.799 56.318 54.840 -0.535 0.000 0.749 81 L CB -0.256 41.308 42.059 -0.825 0.000 0.901 81 L HN 0.245 nan 8.230 nan 0.000 0.433 82 F N -1.294 118.583 119.950 -0.122 0.000 2.706 82 F HA 0.410 4.952 4.527 0.025 0.000 0.308 82 F C 1.686 177.446 175.800 -0.067 0.000 1.095 82 F CA 0.292 58.236 58.000 -0.092 0.000 1.244 82 F CB -0.185 38.740 39.000 -0.124 0.000 1.063 82 F HN 0.079 nan 8.300 nan 0.000 0.582 83 G N 1.238 110.077 108.800 0.064 0.000 2.176 83 G HA2 -0.108 3.868 3.960 0.027 0.000 0.252 83 G HA3 -0.108 3.868 3.960 0.027 0.000 0.252 83 G C 0.285 175.204 174.900 0.030 0.000 1.024 83 G CA 0.017 45.135 45.100 0.029 0.000 0.755 83 G HN 0.640 nan 8.290 nan 0.000 0.507 84 A N -0.690 122.157 122.820 0.046 0.000 2.322 84 A HA 0.741 5.077 4.320 0.027 0.000 0.269 84 A C 1.080 178.681 177.584 0.028 0.000 1.094 84 A CA 0.600 52.654 52.037 0.028 0.000 0.807 84 A CB 0.512 19.524 19.000 0.021 0.000 1.047 84 A HN 0.420 nan 8.150 nan 0.000 0.487 85 E N -0.688 119.535 120.200 0.039 0.000 2.216 85 E HA -0.030 4.336 4.350 0.027 0.000 0.192 85 E C -0.170 176.503 176.600 0.121 0.000 0.988 85 E CA 0.961 57.394 56.400 0.054 0.000 0.834 85 E CB 0.082 29.802 29.700 0.033 0.000 0.772 85 E HN 0.743 nan 8.360 nan 0.000 0.479 86 H N -1.060 118.015 119.070 0.009 0.000 2.894 86 H HA 0.564 5.137 4.556 0.028 0.000 0.367 86 H C -1.746 173.596 175.328 0.024 0.000 1.144 86 H CA -0.612 55.445 56.048 0.016 0.000 1.180 86 H CB 1.657 31.431 29.762 0.021 0.000 1.758 86 H HN -0.008 nan 8.280 nan 0.000 0.541 87 A N 3.962 126.434 122.820 -0.580 0.000 2.386 87 A HA 0.465 4.801 4.320 0.027 0.000 0.311 87 A C -1.098 176.192 177.584 -0.490 0.000 1.068 87 A CA -0.851 50.961 52.037 -0.375 0.000 0.743 87 A CB 1.219 20.116 19.000 -0.172 0.000 1.258 87 A HN 0.713 nan 8.150 nan 0.000 0.429 88 N N 1.946 120.545 118.700 -0.169 0.000 2.483 88 N HA 0.314 5.070 4.740 0.027 0.000 0.267 88 N C 0.024 175.568 175.510 0.058 0.000 0.998 88 N CA -0.177 52.873 53.050 -0.000 0.000 0.918 88 N CB 1.924 40.477 38.487 0.110 0.000 1.215 88 N HN 0.703 nan 8.380 nan 0.000 0.500 89 V N 1.285 121.256 119.914 0.095 0.000 3.444 89 V HA 0.231 4.368 4.120 0.027 0.000 0.308 89 V C 1.255 177.387 176.094 0.063 0.000 1.371 89 V CA 0.303 62.668 62.300 0.109 0.000 1.141 89 V CB -0.037 31.878 31.823 0.153 0.000 1.037 89 V HN 0.538 nan 8.190 nan 0.000 0.433 90 Q N 0.604 120.439 119.800 0.057 0.000 2.398 90 Q HA 0.175 4.532 4.340 0.027 0.000 0.204 90 Q C -1.601 174.331 176.000 -0.113 0.000 0.932 90 Q CA -0.487 55.302 55.803 -0.024 0.000 0.916 90 Q CB -0.712 28.008 28.738 -0.030 0.000 1.024 90 Q HN 0.556 nan 8.270 nan 0.000 0.504 91 P HA -0.104 nan 4.420 nan 0.000 0.261 91 P C -0.071 177.189 177.300 -0.066 0.000 1.183 91 P CA 0.567 63.601 63.100 -0.109 0.000 0.761 91 P CB 0.418 32.098 31.700 -0.033 0.000 0.785 92 H N 0.579 119.641 119.070 -0.012 0.000 2.489 92 H HA 0.003 4.575 4.556 0.027 0.000 0.293 92 H C 1.000 176.322 175.328 -0.010 0.000 1.066 92 H CA 1.189 57.221 56.048 -0.027 0.000 1.305 92 H CB 0.073 29.814 29.762 -0.035 0.000 1.386 92 H HN 0.508 nan 8.280 nan 0.000 0.551 93 S N -2.959 112.812 115.700 0.117 0.000 2.636 93 S HA 0.384 4.871 4.470 0.027 0.000 0.266 93 S C 1.288 175.936 174.600 0.081 0.000 1.147 93 S CA -0.380 57.887 58.200 0.111 0.000 0.815 93 S CB 1.034 64.292 63.200 0.098 0.000 1.119 93 S HN 0.097 nan 8.310 nan 0.000 0.470 94 G N 0.799 109.653 108.800 0.090 0.000 2.418 94 G HA2 0.088 4.065 3.960 0.027 0.000 0.217 94 G HA3 0.088 4.065 3.960 0.027 0.000 0.217 94 G C 1.542 176.473 174.900 0.052 0.000 1.158 94 G CA 1.237 46.352 45.100 0.025 0.000 0.771 94 G HN 1.390 nan 8.290 nan 0.000 0.545 95 A N 0.255 123.137 122.820 0.103 0.000 1.873 95 A HA -0.152 4.184 4.320 0.027 0.000 0.218 95 A C 2.382 180.021 177.584 0.091 0.000 1.193 95 A CA 2.297 54.436 52.037 0.171 0.000 0.629 95 A CB -0.468 18.639 19.000 0.177 0.000 0.826 95 A HN 0.350 nan 8.150 nan 0.000 0.447 96 Q N -0.619 119.192 119.800 0.019 0.000 2.167 96 Q HA 0.112 4.469 4.340 0.027 0.000 0.202 96 Q C 2.275 178.244 176.000 -0.052 0.000 0.970 96 Q CA 1.535 57.309 55.803 -0.047 0.000 0.855 96 Q CB -0.648 28.069 28.738 -0.035 0.000 0.911 96 Q HN 0.656 nan 8.270 nan 0.000 0.438 97 A N 0.784 123.586 122.820 -0.031 0.000 1.877 97 A HA -0.227 4.109 4.320 0.027 0.000 0.216 97 A C 1.798 179.318 177.584 -0.108 0.000 1.186 97 A CA 1.759 53.765 52.037 -0.053 0.000 0.620 97 A CB -0.600 18.376 19.000 -0.040 0.000 0.822 97 A HN 0.342 nan 8.150 nan 0.000 0.443 98 N N -0.564 118.073 118.700 -0.105 0.000 2.120 98 N HA -0.159 4.597 4.740 0.027 0.000 0.188 98 N C 1.721 176.979 175.510 -0.421 0.000 1.024 98 N CA 1.688 54.557 53.050 -0.301 0.000 0.852 98 N CB -0.549 37.865 38.487 -0.121 0.000 1.003 98 N HN 0.637 nan 8.380 nan 0.000 0.424 99 M N 0.608 120.212 119.600 0.007 0.000 2.082 99 M HA -0.190 4.306 4.480 0.027 0.000 0.258 99 M C 1.818 178.165 176.300 0.079 0.000 1.069 99 M CA 1.867 57.247 55.300 0.133 0.000 1.102 99 M CB -0.034 32.420 32.600 -0.242 0.000 1.336 99 M HN 0.196 nan 8.290 nan 0.000 0.404 100 A N -0.685 122.113 122.820 -0.036 0.000 1.930 100 A HA -0.083 4.253 4.320 0.027 0.000 0.217 100 A C 2.015 179.581 177.584 -0.030 0.000 1.175 100 A CA 1.672 53.714 52.037 0.007 0.000 0.627 100 A CB -0.990 17.999 19.000 -0.018 0.000 0.815 100 A HN 0.431 nan 8.150 nan 0.000 0.443 101 V N -0.933 118.853 119.914 -0.212 0.000 2.295 101 V HA -0.266 3.870 4.120 0.027 0.000 0.246 101 V C 2.431 178.336 176.094 -0.316 0.000 1.049 101 V CA 1.870 63.907 62.300 -0.439 0.000 1.024 101 V CB -1.127 30.363 31.823 -0.556 0.000 0.648 101 V HN 0.632 nan 8.190 nan 0.000 0.447 102 Y N -0.820 119.399 120.300 -0.135 0.000 2.165 102 Y HA -0.222 4.345 4.550 0.028 0.000 0.286 102 Y C 2.301 178.179 175.900 -0.037 0.000 1.155 102 Y CA 1.034 59.031 58.100 -0.173 0.000 1.164 102 Y CB -1.290 37.166 38.460 -0.007 0.000 0.978 102 Y HN 0.271 nan 8.280 nan 0.000 0.513 103 F N 0.714 120.754 119.950 0.151 0.000 2.171 103 F HA -0.220 4.324 4.527 0.028 0.000 0.300 103 F C 2.210 178.010 175.800 0.000 0.000 1.090 103 F CA 1.924 59.996 58.000 0.120 0.000 1.293 103 F CB -0.519 38.534 39.000 0.089 0.000 1.013 103 F HN -0.030 nan 8.300 nan 0.000 0.486 104 T N -0.459 114.070 114.554 -0.040 0.000 2.701 104 T HA -0.134 4.232 4.350 0.027 0.000 0.263 104 T C 1.946 176.492 174.700 -0.258 0.000 1.040 104 T CA 2.124 64.121 62.100 -0.171 0.000 1.147 104 T CB -0.589 68.128 68.868 -0.251 0.000 0.865 104 T HN 0.244 nan 8.240 nan 0.000 0.426 105 V N -1.690 118.010 119.914 -0.356 0.000 3.661 105 V HA 0.479 4.615 4.120 0.027 0.000 0.271 105 V C 0.419 176.378 176.094 -0.225 0.000 1.315 105 V CA -0.104 61.964 62.300 -0.386 0.000 1.072 105 V CB -0.547 30.818 31.823 -0.763 0.000 0.830 105 V HN 0.235 nan 8.190 nan 0.000 0.443 106 L N 0.789 121.896 121.223 -0.193 0.000 2.330 106 L HA 0.677 5.033 4.340 0.027 0.000 0.271 106 L C -0.156 176.730 176.870 0.027 0.000 1.013 106 L CA -0.505 54.262 54.840 -0.122 0.000 0.816 106 L CB 2.062 43.903 42.059 -0.363 0.000 1.287 106 L HN 0.134 nan 8.230 nan 0.000 0.435 107 E N -0.147 120.106 120.200 0.089 0.000 2.222 107 E HA 0.217 4.584 4.350 0.027 0.000 0.267 107 E C -0.704 176.053 176.600 0.261 0.000 0.963 107 E CA -0.831 55.653 56.400 0.140 0.000 0.837 107 E CB 1.338 31.082 29.700 0.073 0.000 1.183 107 E HN 0.458 nan 8.360 nan 0.000 0.403 108 H N 0.663 119.802 119.070 0.115 0.000 3.125 108 H HA -0.085 4.487 4.556 0.027 0.000 0.310 108 H C 0.890 176.244 175.328 0.043 0.000 0.980 108 H CA 1.940 58.000 56.048 0.020 0.000 1.422 108 H CB 0.267 30.015 29.762 -0.023 0.000 1.432 108 H HN 0.827 nan 8.280 nan 0.000 0.577 109 G N 4.452 112.953 108.800 -0.498 0.000 2.199 109 G HA2 -0.260 3.716 3.960 0.027 0.000 0.254 109 G HA3 -0.260 3.716 3.960 0.027 0.000 0.254 109 G C 0.085 174.930 174.900 -0.091 0.000 0.982 109 G CA 0.272 45.165 45.100 -0.345 0.000 0.632 109 G HN 0.701 nan 8.290 nan 0.000 0.529 110 D N 1.355 121.767 120.400 0.020 0.000 2.449 110 D HA 0.406 5.062 4.640 0.027 0.000 0.236 110 D C 0.892 177.141 176.300 -0.085 0.000 1.149 110 D CA 0.821 54.814 54.000 -0.012 0.000 0.878 110 D CB 0.656 41.449 40.800 -0.011 0.000 1.198 110 D HN 0.126 nan 8.370 nan 0.000 0.446 111 T N 1.366 115.851 114.554 -0.114 0.000 2.832 111 T HA 0.402 4.768 4.350 0.027 0.000 0.296 111 T C -0.005 174.516 174.700 -0.298 0.000 0.968 111 T CA -0.500 61.493 62.100 -0.177 0.000 1.107 111 T CB 0.715 69.527 68.868 -0.093 0.000 0.916 111 T HN -0.001 nan 8.240 nan 0.000 0.517 112 V N 4.202 123.797 119.914 -0.531 0.000 2.709 112 V HA 0.526 4.662 4.120 0.027 0.000 0.308 112 V C -0.690 175.073 176.094 -0.551 0.000 1.062 112 V CA -1.055 60.809 62.300 -0.725 0.000 0.901 112 V CB 1.972 32.873 31.823 -1.537 0.000 1.003 112 V HN 0.669 nan 8.190 nan 0.000 0.425 113 L N 3.814 124.905 121.223 -0.221 0.000 2.287 113 L HA 0.954 5.310 4.340 0.027 0.000 0.287 113 L C 0.239 177.221 176.870 0.186 0.000 1.022 113 L CA 0.497 55.352 54.840 0.026 0.000 0.814 113 L CB 0.926 43.076 42.059 0.151 0.000 1.217 113 L HN 0.820 nan 8.230 nan 0.000 0.420 114 G N 4.055 112.964 108.800 0.180 0.000 2.658 114 G HA2 0.425 4.401 3.960 0.027 0.000 0.292 114 G HA3 0.425 4.401 3.960 0.027 0.000 0.292 114 G C -1.209 173.374 174.900 -0.529 0.000 1.320 114 G CA -0.959 44.197 45.100 0.094 0.000 0.933 114 G HN 0.638 nan 8.290 nan 0.000 0.476 115 M N 1.881 121.080 119.600 -0.668 0.000 2.219 115 M HA 0.117 4.613 4.480 0.027 0.000 0.353 115 M C 0.640 176.655 176.300 -0.475 0.000 1.304 115 M CA -0.594 54.140 55.300 -0.944 0.000 1.115 115 M CB 0.308 32.687 32.600 -0.369 0.000 1.664 115 M HN 0.606 nan 8.290 nan 0.000 0.459 116 N N 3.989 122.379 118.700 -0.517 0.000 2.223 116 N HA -0.116 4.640 4.740 0.027 0.000 0.271 116 N C 0.486 175.842 175.510 -0.258 0.000 1.315 116 N CA 0.209 53.009 53.050 -0.416 0.000 0.835 116 N CB 0.533 38.581 38.487 -0.732 0.000 1.066 116 N HN 0.696 nan 8.380 nan 0.000 0.486 117 L N 3.504 124.601 121.223 -0.211 0.000 2.083 117 L HA -0.185 4.172 4.340 0.027 0.000 0.209 117 L C 2.396 179.201 176.870 -0.108 0.000 1.083 117 L CA 1.633 56.380 54.840 -0.156 0.000 0.752 117 L CB -0.813 41.135 42.059 -0.185 0.000 0.899 117 L HN 0.760 nan 8.230 nan 0.000 0.433 118 S N -2.742 112.899 115.700 -0.097 0.000 2.561 118 S HA -0.077 4.409 4.470 0.027 0.000 0.225 118 S C 1.560 176.221 174.600 0.103 0.000 0.977 118 S CA 0.444 58.633 58.200 -0.017 0.000 0.926 118 S CB -0.707 62.483 63.200 -0.016 0.000 0.769 118 S HN 0.594 nan 8.310 nan 0.000 0.533 119 H N -0.136 118.841 119.070 -0.156 0.000 2.622 119 H HA 0.353 4.925 4.556 0.027 0.000 0.269 119 H C 1.578 176.882 175.328 -0.039 0.000 0.977 119 H CA 0.112 56.089 56.048 -0.118 0.000 1.179 119 H CB 0.730 30.405 29.762 -0.145 0.000 1.458 119 H HN 0.614 nan 8.280 nan 0.000 0.531 120 G N 0.461 109.300 108.800 0.065 0.000 2.935 120 G HA2 -0.166 3.810 3.960 0.027 0.000 0.213 120 G HA3 -0.166 3.810 3.960 0.027 0.000 0.213 120 G C 0.712 175.638 174.900 0.044 0.000 0.984 120 G CA -0.317 44.820 45.100 0.062 0.000 0.790 120 G HN 0.498 nan 8.290 nan 0.000 0.538 121 G N -0.086 108.721 108.800 0.011 0.000 2.614 121 G HA2 0.429 4.405 3.960 0.027 0.000 0.239 121 G HA3 0.429 4.405 3.960 0.027 0.000 0.239 121 G C -0.158 174.741 174.900 -0.001 0.000 1.240 121 G CA 0.150 45.292 45.100 0.070 0.000 0.842 121 G HN 0.443 nan 8.290 nan 0.000 0.584 122 H N 1.104 120.024 119.070 -0.249 0.000 2.505 122 H HA 0.117 4.689 4.556 0.027 0.000 0.355 122 H C 1.476 176.545 175.328 -0.432 0.000 1.179 122 H CA -0.834 54.934 56.048 -0.467 0.000 1.343 122 H CB 1.589 30.916 29.762 -0.725 0.000 1.501 122 H HN 0.320 nan 8.280 nan 0.000 0.569 123 L N 3.060 123.631 121.223 -1.087 0.000 2.051 123 L HA -0.236 4.120 4.340 0.027 0.000 0.214 123 L C 2.358 178.900 176.870 -0.547 0.000 1.076 123 L CA 2.582 56.967 54.840 -0.758 0.000 0.758 123 L CB -0.670 40.941 42.059 -0.746 0.000 0.890 123 L HN 0.849 nan 8.230 nan 0.000 0.433 124 T N -4.864 109.430 114.554 -0.434 0.000 3.160 124 T HA -0.057 4.309 4.350 0.027 0.000 0.257 124 T C 0.863 175.538 174.700 -0.042 0.000 1.147 124 T CA 0.681 62.715 62.100 -0.110 0.000 1.064 124 T CB -0.951 68.083 68.868 0.277 0.000 0.949 124 T HN 0.626 nan 8.240 nan 0.000 0.526 125 H N 0.548 119.480 119.070 -0.229 0.000 2.577 125 H HA 0.509 5.081 4.556 0.027 0.000 0.306 125 H C 1.403 176.147 175.328 -0.972 0.000 1.109 125 H CA -0.461 55.392 56.048 -0.325 0.000 1.063 125 H CB 0.065 29.801 29.762 -0.044 0.000 1.535 125 H HN 0.496 nan 8.280 nan 0.000 0.532 126 G N 0.838 108.873 108.800 -1.275 0.000 2.164 126 G HA2 -0.281 3.695 3.960 0.027 0.000 0.154 126 G HA3 -0.281 3.695 3.960 0.027 0.000 0.154 126 G C 0.211 174.758 174.900 -0.588 0.000 1.014 126 G CA -0.048 44.188 45.100 -1.442 0.000 0.683 126 G HN 0.401 nan 8.290 nan 0.000 0.500 127 S N 1.378 116.800 115.700 -0.462 0.000 2.537 127 S HA 0.405 4.891 4.470 0.027 0.000 0.286 127 S C 0.089 174.555 174.600 -0.223 0.000 1.299 127 S CA -0.033 57.992 58.200 -0.292 0.000 1.067 127 S CB 1.113 64.151 63.200 -0.270 0.000 0.864 127 S HN 0.190 nan 8.310 nan 0.000 0.494 128 P HA -0.030 nan 4.420 nan 0.000 0.230 128 P C 1.006 178.268 177.300 -0.064 0.000 1.158 128 P CA 0.775 63.820 63.100 -0.091 0.000 0.769 128 P CB -0.285 31.378 31.700 -0.061 0.000 0.807 129 V N -4.365 115.509 119.914 -0.068 0.000 3.542 129 V HA 0.289 4.426 4.120 0.027 0.000 0.296 129 V C 0.653 176.729 176.094 -0.030 0.000 1.364 129 V CA -0.422 61.858 62.300 -0.032 0.000 1.118 129 V CB -0.914 30.903 31.823 -0.010 0.000 0.972 129 V HN 0.009 nan 8.190 nan 0.000 0.430 130 N N 0.533 119.186 118.700 -0.077 0.000 2.384 130 N HA 0.248 5.005 4.740 0.027 0.000 0.301 130 N C 0.971 176.446 175.510 -0.059 0.000 1.133 130 N CA -0.153 52.861 53.050 -0.059 0.000 0.853 130 N CB 2.199 40.576 38.487 -0.182 0.000 1.241 130 N HN 0.196 nan 8.380 nan 0.000 0.502 131 F N 2.462 122.417 119.950 0.010 0.000 2.147 131 F HA -0.225 4.318 4.527 0.027 0.000 0.301 131 F C 2.274 178.108 175.800 0.055 0.000 1.084 131 F CA 1.686 59.708 58.000 0.037 0.000 1.268 131 F CB -1.066 37.983 39.000 0.081 0.000 1.009 131 F HN 0.457 nan 8.300 nan 0.000 0.486 132 S N 0.452 115.525 115.700 -1.045 0.000 2.359 132 S HA -0.085 4.401 4.470 0.027 0.000 0.224 132 S C 2.283 176.734 174.600 -0.248 0.000 1.035 132 S CA 1.049 58.841 58.200 -0.680 0.000 1.018 132 S CB -1.714 60.949 63.200 -0.894 0.000 0.876 132 S HN 0.589 nan 8.310 nan 0.000 0.448 133 G N 0.308 108.909 108.800 -0.331 0.000 2.572 133 G HA2 0.119 4.095 3.960 0.027 0.000 0.216 133 G HA3 0.119 4.095 3.960 0.027 0.000 0.216 133 G C 1.281 176.146 174.900 -0.059 0.000 1.133 133 G CA 0.627 45.636 45.100 -0.151 0.000 0.791 133 G HN 0.481 nan 8.290 nan 0.000 0.538 134 V N -0.087 119.785 119.914 -0.069 0.000 2.599 134 V HA -0.045 4.091 4.120 0.027 0.000 0.245 134 V C 2.510 178.570 176.094 -0.056 0.000 1.046 134 V CA 1.851 64.133 62.300 -0.030 0.000 1.065 134 V CB 0.438 32.269 31.823 0.013 0.000 0.703 134 V HN 0.418 nan 8.190 nan 0.000 0.464 135 Q N -0.790 118.920 119.800 -0.150 0.000 2.250 135 Q HA 0.075 4.431 4.340 0.027 0.000 0.200 135 Q C -0.054 175.514 176.000 -0.721 0.000 0.941 135 Q CA 0.974 56.544 55.803 -0.388 0.000 0.872 135 Q CB 0.231 28.646 28.738 -0.538 0.000 0.965 135 Q HN 0.634 nan 8.270 nan 0.000 0.480 136 Y N -0.778 119.511 120.300 -0.019 0.000 2.598 136 Y HA 0.414 4.979 4.550 0.026 0.000 0.340 136 Y C -0.512 175.356 175.900 -0.053 0.000 1.038 136 Y CA -1.859 56.184 58.100 -0.095 0.000 1.100 136 Y CB 0.810 39.180 38.460 -0.149 0.000 1.281 136 Y HN -0.162 nan 8.280 nan 0.000 0.488 137 N N 1.282 119.988 118.700 0.009 0.000 2.719 137 N HA 0.214 4.970 4.740 0.027 0.000 0.243 137 N C -1.747 173.706 175.510 -0.096 0.000 1.104 137 N CA -0.130 52.898 53.050 -0.037 0.000 0.981 137 N CB -0.391 38.051 38.487 -0.076 0.000 1.290 137 N HN 0.410 nan 8.380 nan 0.000 0.513 138 F N 2.350 122.230 119.950 -0.117 0.000 2.438 138 F HA 0.200 4.744 4.527 0.027 0.000 0.356 138 F C 0.788 176.483 175.800 -0.175 0.000 1.099 138 F CA -0.403 57.512 58.000 -0.142 0.000 1.185 138 F CB 0.719 39.633 39.000 -0.144 0.000 1.115 138 F HN 0.117 nan 8.300 nan 0.000 0.526 139 V N 0.965 120.823 119.914 -0.093 0.000 2.881 139 V HA 0.971 5.108 4.120 0.027 0.000 0.316 139 V C -0.441 175.617 176.094 -0.061 0.000 1.070 139 V CA -1.128 61.065 62.300 -0.178 0.000 0.976 139 V CB 1.398 32.927 31.823 -0.491 0.000 1.038 139 V HN 0.865 nan 8.190 nan 0.000 0.446 140 A N 2.308 125.076 122.820 -0.086 0.000 2.365 140 A HA 0.903 5.239 4.320 0.027 0.000 0.318 140 A C -0.960 176.585 177.584 -0.065 0.000 1.091 140 A CA -0.722 51.232 52.037 -0.139 0.000 0.763 140 A CB 1.345 20.218 19.000 -0.212 0.000 1.248 140 A HN 1.485 nan 8.150 nan 0.000 0.442 141 Y N 0.143 120.427 120.300 -0.026 0.000 2.496 141 Y HA 0.837 5.403 4.550 0.027 0.000 0.331 141 Y C 0.452 176.305 175.900 -0.080 0.000 1.140 141 Y CA -0.867 57.213 58.100 -0.032 0.000 1.166 141 Y CB 1.021 39.475 38.460 -0.010 0.000 1.249 141 Y HN 0.776 nan 8.280 nan 0.000 0.479 142 G N 0.446 109.337 108.800 0.151 0.000 2.685 142 G HA2 0.588 4.564 3.960 0.027 0.000 0.298 142 G HA3 0.588 4.564 3.960 0.027 0.000 0.298 142 G C -1.008 174.081 174.900 0.314 0.000 1.277 142 G CA -0.723 44.476 45.100 0.166 0.000 0.986 142 G HN 1.094 nan 8.290 nan 0.000 0.487 143 V N -1.797 118.402 119.914 0.475 0.000 2.837 143 V HA 0.498 4.634 4.120 0.027 0.000 0.310 143 V C 0.202 176.502 176.094 0.344 0.000 1.059 143 V CA -1.123 61.362 62.300 0.310 0.000 1.004 143 V CB 1.750 33.748 31.823 0.292 0.000 1.045 143 V HN 0.687 nan 8.190 nan 0.000 0.465 144 D N 3.025 123.562 120.400 0.228 0.000 2.455 144 D HA 0.145 4.802 4.640 0.027 0.000 0.241 144 D C -1.753 174.625 176.300 0.130 0.000 1.138 144 D CA -1.087 53.002 54.000 0.148 0.000 0.877 144 D CB 1.994 42.834 40.800 0.066 0.000 1.187 144 D HN 0.429 nan 8.370 nan 0.000 0.451 145 P HA -0.079 nan 4.420 nan 0.000 0.222 145 P C 0.533 177.694 177.300 -0.231 0.000 1.147 145 P CA 0.968 63.897 63.100 -0.284 0.000 0.790 145 P CB 0.481 31.835 31.700 -0.577 0.000 0.780 146 E N -1.434 118.618 120.200 -0.246 0.000 2.110 146 E HA -0.042 4.324 4.350 0.027 0.000 0.193 146 E C 1.986 178.304 176.600 -0.471 0.000 0.950 146 E CA 1.480 57.696 56.400 -0.307 0.000 0.840 146 E CB -1.075 28.527 29.700 -0.165 0.000 0.809 146 E HN 0.212 nan 8.360 nan 0.000 0.465 147 T N -2.806 111.577 114.554 -0.285 0.000 3.043 147 T HA -0.039 4.327 4.350 0.027 0.000 0.263 147 T C 0.185 174.812 174.700 -0.121 0.000 1.094 147 T CA 0.891 62.881 62.100 -0.183 0.000 1.127 147 T CB -0.409 68.436 68.868 -0.038 0.000 0.905 147 T HN 0.371 nan 8.240 nan 0.000 0.490 148 H N -0.832 118.290 119.070 0.087 0.000 3.047 148 H HA -0.104 4.468 4.556 0.027 0.000 0.263 148 H C -0.466 174.992 175.328 0.218 0.000 1.168 148 H CA 0.122 56.246 56.048 0.126 0.000 1.152 148 H CB -2.358 27.452 29.762 0.080 0.000 1.278 148 H HN 0.343 nan 8.280 nan 0.000 0.339 149 V N 1.449 121.528 119.914 0.275 0.000 2.509 149 V HA 0.140 4.277 4.120 0.027 0.000 0.284 149 V C 1.317 177.565 176.094 0.257 0.000 1.047 149 V CA -0.503 62.003 62.300 0.343 0.000 0.952 149 V CB 1.389 33.353 31.823 0.234 0.000 0.988 149 V HN 0.203 nan 8.190 nan 0.000 0.469 150 I N 3.665 124.350 120.570 0.190 0.000 2.996 150 I HA -0.096 4.090 4.170 0.027 0.000 0.310 150 I C 0.682 176.637 176.117 -0.270 0.000 1.225 150 I CA 0.706 61.903 61.300 -0.172 0.000 1.442 150 I CB 0.039 37.718 38.000 -0.534 0.000 1.334 150 I HN 0.644 nan 8.210 nan 0.000 0.550 151 D N 6.933 127.233 120.400 -0.166 0.000 2.393 151 D HA 0.064 4.720 4.640 0.027 0.000 0.232 151 D C 0.497 176.650 176.300 -0.245 0.000 1.192 151 D CA -0.084 53.860 54.000 -0.094 0.000 0.882 151 D CB 0.493 41.311 40.800 0.031 0.000 1.038 151 D HN 0.338 nan 8.370 nan 0.000 0.499 152 Y N 1.571 121.798 120.300 -0.122 0.000 2.439 152 Y HA -0.083 4.483 4.550 0.027 0.000 0.292 152 Y C 1.972 177.762 175.900 -0.184 0.000 1.130 152 Y CA 0.518 58.471 58.100 -0.245 0.000 1.254 152 Y CB 0.285 38.589 38.460 -0.259 0.000 1.000 152 Y HN 0.389 nan 8.280 nan 0.000 0.554 153 D N -0.118 120.294 120.400 0.019 0.000 2.183 153 D HA -0.168 4.488 4.640 0.027 0.000 0.203 153 D C 1.533 177.824 176.300 -0.014 0.000 0.969 153 D CA 1.407 55.406 54.000 -0.001 0.000 0.842 153 D CB -0.191 40.617 40.800 0.014 0.000 0.957 153 D HN 0.402 nan 8.370 nan 0.000 0.484 154 D N 0.422 120.813 120.400 -0.015 0.000 2.117 154 D HA -0.115 4.541 4.640 0.027 0.000 0.198 154 D C 2.130 178.428 176.300 -0.003 0.000 0.982 154 D CA 0.533 54.543 54.000 0.016 0.000 0.828 154 D CB 0.158 40.996 40.800 0.063 0.000 0.967 154 D HN -0.094 nan 8.370 nan 0.000 0.464 155 V N 0.528 120.362 119.914 -0.133 0.000 2.287 155 V HA -0.243 3.894 4.120 0.027 0.000 0.248 155 V C 2.643 178.666 176.094 -0.118 0.000 1.053 155 V CA 2.085 64.234 62.300 -0.251 0.000 1.027 155 V CB -0.632 30.776 31.823 -0.692 0.000 0.646 155 V HN 0.221 nan 8.190 nan 0.000 0.447 156 R N -0.092 120.347 120.500 -0.102 0.000 2.073 156 R HA -0.213 4.143 4.340 0.027 0.000 0.234 156 R C 2.447 178.737 176.300 -0.017 0.000 1.134 156 R CA 2.028 58.097 56.100 -0.053 0.000 0.952 156 R CB -0.259 30.013 30.300 -0.046 0.000 0.850 156 R HN 0.698 nan 8.270 nan 0.000 0.433 157 E N 0.256 120.452 120.200 -0.007 0.000 2.051 157 E HA -0.201 4.166 4.350 0.027 0.000 0.192 157 E C 1.607 178.215 176.600 0.014 0.000 0.991 157 E CA 1.159 57.559 56.400 -0.000 0.000 0.799 157 E CB 0.176 29.880 29.700 0.006 0.000 0.748 157 E HN 0.142 nan 8.360 nan 0.000 0.449 158 K N 0.251 120.692 120.400 0.069 0.000 2.063 158 K HA -0.136 4.201 4.320 0.027 0.000 0.208 158 K C 2.085 178.784 176.600 0.165 0.000 1.048 158 K CA 1.127 57.519 56.287 0.175 0.000 0.928 158 K CB -0.424 32.222 32.500 0.244 0.000 0.713 158 K HN 0.212 nan 8.250 nan 0.000 0.442 159 A N 1.536 124.413 122.820 0.096 0.000 1.930 159 A HA -0.149 4.187 4.320 0.027 0.000 0.217 159 A C 2.210 179.817 177.584 0.038 0.000 1.175 159 A CA 1.257 53.339 52.037 0.074 0.000 0.627 159 A CB -0.322 18.706 19.000 0.047 0.000 0.815 159 A HN 0.253 nan 8.150 nan 0.000 0.443 160 R N -1.333 119.171 120.500 0.007 0.000 2.115 160 R HA 0.020 4.376 4.340 0.027 0.000 0.226 160 R C 2.056 178.328 176.300 -0.047 0.000 1.100 160 R CA 1.143 57.233 56.100 -0.016 0.000 0.980 160 R CB -0.352 29.935 30.300 -0.021 0.000 0.875 160 R HN 0.496 nan 8.270 nan 0.000 0.445 161 L N -0.081 121.084 121.223 -0.097 0.000 2.068 161 L HA -0.079 4.278 4.340 0.027 0.000 0.204 161 L C 1.795 178.520 176.870 -0.242 0.000 1.076 161 L CA 1.863 56.570 54.840 -0.220 0.000 0.753 161 L CB -0.272 41.559 42.059 -0.381 0.000 0.910 161 L HN 0.166 nan 8.230 nan 0.000 0.439 162 H N 0.080 119.150 119.070 -0.000 0.000 2.562 162 H HA 0.235 4.808 4.556 0.027 0.000 0.267 162 H C 0.040 175.359 175.328 -0.016 0.000 0.959 162 H CA 0.172 56.215 56.048 -0.008 0.000 1.204 162 H CB 0.253 30.010 29.762 -0.008 0.000 1.430 162 H HN 0.161 nan 8.280 nan 0.000 0.545 163 R N 0.443 120.991 120.500 0.080 0.000 3.205 163 R HA -0.100 4.256 4.340 0.027 0.000 0.249 163 R C -2.607 173.710 176.300 0.030 0.000 0.937 163 R CA -0.012 56.112 56.100 0.039 0.000 0.641 163 R CB -2.444 27.867 30.300 0.017 0.000 1.114 163 R HN 0.435 nan 8.270 nan 0.000 0.451 164 P HA 0.074 nan 4.420 nan 0.000 0.272 164 P C 0.644 177.937 177.300 -0.012 0.000 1.223 164 P CA -0.239 62.850 63.100 -0.018 0.000 0.784 164 P CB 0.861 32.545 31.700 -0.027 0.000 0.923 165 K N 0.626 121.006 120.400 -0.032 0.000 2.228 165 K HA 0.020 4.356 4.320 0.027 0.000 0.202 165 K C 0.349 176.999 176.600 0.084 0.000 1.051 165 K CA 0.514 56.813 56.287 0.020 0.000 0.960 165 K CB 0.005 32.512 32.500 0.012 0.000 0.743 165 K HN 0.314 nan 8.250 nan 0.000 0.458 166 L N 0.866 122.091 121.223 0.004 0.000 2.431 166 L HA 0.460 4.816 4.340 0.027 0.000 0.266 166 L C -1.540 175.345 176.870 0.025 0.000 0.978 166 L CA -0.609 54.261 54.840 0.050 0.000 0.822 166 L CB 1.899 43.937 42.059 -0.036 0.000 1.310 166 L HN -0.088 nan 8.230 nan 0.000 0.409 167 I N 4.922 125.566 120.570 0.123 0.000 2.404 167 I HA 0.493 4.679 4.170 0.027 0.000 0.293 167 I C -0.790 175.422 176.117 0.158 0.000 0.992 167 I CA -0.988 60.410 61.300 0.163 0.000 1.149 167 I CB 1.951 40.092 38.000 0.235 0.000 1.315 167 I HN 0.255 nan 8.210 nan 0.000 0.446 168 V N 5.591 125.598 119.914 0.155 0.000 2.398 168 V HA 0.657 4.793 4.120 0.027 0.000 0.286 168 V C 0.251 176.332 176.094 -0.023 0.000 1.026 168 V CA -0.452 61.877 62.300 0.048 0.000 0.868 168 V CB 1.420 33.253 31.823 0.018 0.000 0.982 168 V HN 0.837 nan 8.190 nan 0.000 0.443 169 A N 4.238 126.904 122.820 -0.257 0.000 2.337 169 A HA 1.047 5.383 4.320 0.027 0.000 0.329 169 A C 0.045 177.513 177.584 -0.193 0.000 1.146 169 A CA 0.148 51.872 52.037 -0.521 0.000 0.800 169 A CB 1.435 19.685 19.000 -1.251 0.000 1.220 169 A HN 2.390 nan 8.150 nan 0.000 0.472 170 A N -0.320 122.465 122.820 -0.059 0.000 2.445 170 A HA 0.596 4.932 4.320 0.027 0.000 0.677 170 A C -0.421 177.270 177.584 0.178 0.000 0.190 170 A CA -0.036 52.060 52.037 0.099 0.000 0.101 170 A CB -1.275 17.786 19.000 0.101 0.000 3.911 170 A HN 2.931 nan 8.150 nan 0.000 0.544 171 A N -0.793 122.164 122.820 0.228 0.000 2.610 171 A HA 0.939 5.275 4.320 0.027 0.000 0.291 171 A C 0.602 178.251 177.584 0.109 0.000 1.086 171 A CA 0.724 52.881 52.037 0.200 0.000 0.677 171 A CB 0.551 19.655 19.000 0.174 0.000 1.278 171 A HN 2.453 nan 8.150 nan 0.000 0.414 172 S N -0.674 115.040 115.700 0.023 0.000 2.511 172 S HA 0.477 4.963 4.470 0.027 0.000 0.214 172 S C 0.753 175.135 174.600 -0.364 0.000 0.997 172 S CA 0.821 58.908 58.200 -0.188 0.000 0.908 172 S CB 0.508 63.758 63.200 0.085 0.000 0.803 172 S HN 2.133 nan 8.310 nan 0.000 0.504 173 A N 0.408 123.150 122.820 -0.130 0.000 2.897 173 A HA 0.518 4.854 4.320 0.027 0.000 0.230 173 A C -0.881 176.729 177.584 0.042 0.000 0.896 173 A CA -0.424 51.556 52.037 -0.095 0.000 1.114 173 A CB -0.047 18.914 19.000 -0.065 0.000 1.230 173 A HN 0.433 nan 8.150 nan 0.000 0.481 174 Y N 1.891 122.148 120.300 -0.072 0.000 2.356 174 Y HA 0.519 5.085 4.550 0.026 0.000 0.334 174 Y C -2.129 173.777 175.900 0.008 0.000 0.958 174 Y CA -2.293 55.809 58.100 0.003 0.000 1.196 174 Y CB 2.047 40.550 38.460 0.071 0.000 1.137 174 Y HN 0.253 nan 8.280 nan 0.000 0.485 175 P HA 0.089 nan 4.420 nan 0.000 0.249 175 P C -0.193 176.908 177.300 -0.332 0.000 1.229 175 P CA 0.571 63.502 63.100 -0.282 0.000 0.788 175 P CB 0.513 32.088 31.700 -0.208 0.000 1.072 176 R N -0.093 119.999 120.500 -0.682 0.000 2.828 176 R HA 0.487 4.843 4.340 0.027 0.000 0.264 176 R C 0.458 176.720 176.300 -0.064 0.000 1.022 176 R CA -1.492 54.375 56.100 -0.387 0.000 1.021 176 R CB 0.553 30.618 30.300 -0.393 0.000 1.163 176 R HN 0.008 nan 8.270 nan 0.000 0.494 177 I N 2.034 122.624 120.570 0.033 0.000 2.648 177 I HA 0.020 4.207 4.170 0.027 0.000 0.284 177 I C 0.565 176.794 176.117 0.188 0.000 1.153 177 I CA 0.446 61.768 61.300 0.038 0.000 1.426 177 I CB 0.308 38.162 38.000 -0.243 0.000 1.381 177 I HN 0.228 nan 8.210 nan 0.000 0.571 178 I N 5.492 126.169 120.570 0.178 0.000 2.365 178 I HA 0.100 4.287 4.170 0.027 0.000 0.291 178 I C 0.212 176.087 176.117 -0.405 0.000 1.004 178 I CA -0.317 60.995 61.300 0.021 0.000 1.311 178 I CB 0.892 38.843 38.000 -0.081 0.000 1.401 178 I HN 0.489 nan 8.210 nan 0.000 0.491 179 D N 6.442 126.798 120.400 -0.073 0.000 2.453 179 D HA 0.136 4.792 4.640 0.027 0.000 0.223 179 D C 0.756 177.001 176.300 -0.092 0.000 1.183 179 D CA -0.015 53.836 54.000 -0.248 0.000 0.933 179 D CB 0.309 40.833 40.800 -0.460 0.000 1.038 179 D HN 0.345 nan 8.370 nan 0.000 0.513 180 F N 1.687 121.659 119.950 0.036 0.000 2.293 180 F HA -0.090 4.453 4.527 0.027 0.000 0.300 180 F C 2.499 178.115 175.800 -0.306 0.000 1.086 180 F CA 0.496 58.489 58.000 -0.011 0.000 1.375 180 F CB -0.054 38.943 39.000 -0.004 0.000 1.045 180 F HN 0.421 nan 8.300 nan 0.000 0.516 181 A N 0.583 123.052 122.820 -0.586 0.000 1.902 181 A HA -0.195 4.141 4.320 0.027 0.000 0.217 181 A C 2.206 179.669 177.584 -0.200 0.000 1.181 181 A CA 1.566 53.227 52.037 -0.625 0.000 0.623 181 A CB -0.523 18.146 19.000 -0.553 0.000 0.818 181 A HN 0.295 nan 8.150 nan 0.000 0.443 182 K N -1.551 118.718 120.400 -0.219 0.000 2.057 182 K HA -0.062 4.274 4.320 0.027 0.000 0.206 182 K C 1.680 178.216 176.600 -0.107 0.000 1.050 182 K CA 1.373 57.521 56.287 -0.232 0.000 0.935 182 K CB -0.336 31.838 32.500 -0.544 0.000 0.715 182 K HN 0.453 nan 8.250 nan 0.000 0.439 183 F N 1.294 121.251 119.950 0.011 0.000 2.095 183 F HA -0.222 4.322 4.527 0.028 0.000 0.298 183 F C 2.631 178.470 175.800 0.066 0.000 1.104 183 F CA 1.423 59.465 58.000 0.070 0.000 1.232 183 F CB -0.215 38.871 39.000 0.143 0.000 0.987 183 F HN -0.053 nan 8.300 nan 0.000 0.475 184 R N 0.844 121.493 120.500 0.249 0.000 2.092 184 R HA -0.155 4.201 4.340 0.027 0.000 0.231 184 R C 2.043 178.417 176.300 0.124 0.000 1.119 184 R CA 1.769 57.985 56.100 0.193 0.000 0.970 184 R CB -0.754 29.683 30.300 0.228 0.000 0.864 184 R HN 0.417 nan 8.270 nan 0.000 0.440 185 E N -0.195 120.048 120.200 0.072 0.000 2.077 185 E HA -0.182 4.184 4.350 0.027 0.000 0.193 185 E C 1.876 178.490 176.600 0.024 0.000 0.989 185 E CA 1.677 58.097 56.400 0.033 0.000 0.800 185 E CB -0.133 29.561 29.700 -0.010 0.000 0.746 185 E HN 0.426 nan 8.360 nan 0.000 0.452 186 I N 0.853 121.429 120.570 0.010 0.000 2.202 186 I HA -0.254 3.932 4.170 0.027 0.000 0.242 186 I C 2.606 178.749 176.117 0.044 0.000 1.091 186 I CA 0.989 62.290 61.300 0.002 0.000 1.368 186 I CB -0.352 37.616 38.000 -0.054 0.000 1.058 186 I HN 0.170 nan 8.210 nan 0.000 0.410 187 A N 0.609 123.486 122.820 0.096 0.000 1.892 187 A HA -0.277 4.060 4.320 0.027 0.000 0.218 187 A C 1.955 179.589 177.584 0.083 0.000 1.188 187 A CA 2.313 54.421 52.037 0.119 0.000 0.631 187 A CB -0.685 18.431 19.000 0.194 0.000 0.822 187 A HN 0.365 nan 8.150 nan 0.000 0.447 188 D N -0.882 119.567 120.400 0.081 0.000 2.144 188 D HA -0.141 4.515 4.640 0.027 0.000 0.199 188 D C 1.880 178.197 176.300 0.027 0.000 0.984 188 D CA 1.417 55.450 54.000 0.056 0.000 0.834 188 D CB -0.352 40.483 40.800 0.058 0.000 0.955 188 D HN 0.755 nan 8.370 nan 0.000 0.465 189 E N 0.415 120.629 120.200 0.023 0.000 2.110 189 E HA -0.142 4.224 4.350 0.027 0.000 0.193 189 E C 1.781 178.384 176.600 0.005 0.000 0.988 189 E CA 1.162 57.568 56.400 0.009 0.000 0.804 189 E CB 0.284 29.986 29.700 0.003 0.000 0.745 189 E HN 0.225 nan 8.360 nan 0.000 0.458 190 V N -3.280 116.639 119.914 0.009 0.000 3.621 190 V HA 0.423 4.559 4.120 0.027 0.000 0.285 190 V C 1.030 177.120 176.094 -0.008 0.000 1.346 190 V CA 0.392 62.694 62.300 0.004 0.000 1.104 190 V CB 0.038 31.869 31.823 0.013 0.000 0.913 190 V HN 0.279 nan 8.190 nan 0.000 0.432 191 G N 0.347 109.137 108.800 -0.016 0.000 2.246 191 G HA2 0.026 4.002 3.960 0.027 0.000 0.273 191 G HA3 0.026 4.002 3.960 0.027 0.000 0.273 191 G C 0.159 175.001 174.900 -0.097 0.000 1.055 191 G CA 0.379 45.447 45.100 -0.055 0.000 0.851 191 G HN 1.681 nan 8.290 nan 0.000 0.500 192 A N -0.553 122.235 122.820 -0.053 0.000 2.325 192 A HA 0.831 5.167 4.320 0.027 0.000 0.333 192 A C 0.016 177.569 177.584 -0.052 0.000 1.155 192 A CA -0.845 51.168 52.037 -0.040 0.000 0.814 192 A CB 0.896 19.926 19.000 0.049 0.000 1.206 192 A HN 0.578 nan 8.150 nan 0.000 0.482 193 Y N 0.194 120.484 120.300 -0.017 0.000 2.480 193 Y HA 0.317 4.884 4.550 0.028 0.000 0.338 193 Y C 0.331 176.361 175.900 0.217 0.000 1.220 193 Y CA 0.466 58.550 58.100 -0.027 0.000 1.430 193 Y CB 0.575 39.011 38.460 -0.039 0.000 1.311 193 Y HN 0.546 nan 8.280 nan 0.000 0.575 194 L N 5.149 126.747 121.223 0.624 0.000 2.305 194 L HA 0.489 4.845 4.340 0.027 0.000 0.284 194 L C -0.760 176.303 176.870 0.322 0.000 1.013 194 L CA -0.757 54.309 54.840 0.376 0.000 0.819 194 L CB 1.032 43.258 42.059 0.279 0.000 1.227 194 L HN 0.729 nan 8.230 nan 0.000 0.417 195 M N 5.738 125.476 119.600 0.230 0.000 2.268 195 M HA 0.599 5.095 4.480 0.027 0.000 0.344 195 M C -1.689 174.619 176.300 0.013 0.000 1.106 195 M CA -0.616 54.783 55.300 0.165 0.000 1.010 195 M CB 1.520 34.206 32.600 0.143 0.000 1.649 195 M HN 0.410 nan 8.290 nan 0.000 0.443 196 V N 4.329 124.210 119.914 -0.054 0.000 2.384 196 V HA 0.272 4.408 4.120 0.027 0.000 0.287 196 V C -0.695 175.322 176.094 -0.129 0.000 1.020 196 V CA -0.621 61.586 62.300 -0.155 0.000 0.850 196 V CB 1.564 33.169 31.823 -0.364 0.000 0.987 196 V HN 0.769 nan 8.190 nan 0.000 0.436 197 D N 5.735 126.084 120.400 -0.086 0.000 2.456 197 D HA 0.255 4.911 4.640 0.027 0.000 0.219 197 D C 0.772 177.067 176.300 -0.008 0.000 1.126 197 D CA -0.453 53.532 54.000 -0.025 0.000 0.890 197 D CB 1.180 42.041 40.800 0.101 0.000 1.025 197 D HN 0.607 nan 8.370 nan 0.000 0.511 198 M N 1.815 121.365 119.600 -0.084 0.000 2.530 198 M HA 0.366 4.862 4.480 0.027 0.000 0.231 198 M C 1.394 177.656 176.300 -0.062 0.000 1.180 198 M CA -0.383 54.870 55.300 -0.078 0.000 0.985 198 M CB 0.670 33.164 32.600 -0.177 0.000 1.623 198 M HN 0.141 nan 8.290 nan 0.000 0.475 199 A N 1.320 124.108 122.820 -0.054 0.000 1.896 199 A HA -0.248 4.088 4.320 0.027 0.000 0.220 199 A C 2.101 179.607 177.584 -0.130 0.000 1.206 199 A CA 2.214 54.180 52.037 -0.119 0.000 0.647 199 A CB -1.397 17.519 19.000 -0.140 0.000 0.828 199 A HN 0.756 nan 8.150 nan 0.000 0.455 200 H N -0.523 118.511 119.070 -0.061 0.000 2.389 200 H HA -0.041 4.533 4.556 0.029 0.000 0.299 200 H C 1.927 177.132 175.328 -0.205 0.000 1.081 200 H CA 1.809 57.831 56.048 -0.044 0.000 1.345 200 H CB -0.054 29.810 29.762 0.170 0.000 1.393 200 H HN 0.728 nan 8.280 nan 0.000 0.520 201 I N -2.369 118.200 120.570 -0.002 0.000 3.928 201 I HA 0.333 4.520 4.170 0.027 0.000 0.335 201 I C 2.224 178.333 176.117 -0.013 0.000 1.325 201 I CA 0.221 61.484 61.300 -0.061 0.000 1.107 201 I CB 0.153 38.090 38.000 -0.105 0.000 1.014 201 I HN -0.082 nan 8.210 nan 0.000 0.400 202 A N 2.227 125.043 122.820 -0.007 0.000 1.908 202 A HA -0.076 4.260 4.320 0.027 0.000 0.218 202 A C 2.357 180.120 177.584 0.300 0.000 1.181 202 A CA 2.040 54.134 52.037 0.094 0.000 0.627 202 A CB -1.436 17.565 19.000 0.002 0.000 0.818 202 A HN 0.538 nan 8.150 nan 0.000 0.445 203 G N -0.279 108.668 108.800 0.245 0.000 2.422 203 G HA2 -0.127 3.849 3.960 0.027 0.000 0.218 203 G HA3 -0.127 3.849 3.960 0.027 0.000 0.218 203 G C 1.524 176.628 174.900 0.340 0.000 1.146 203 G CA 1.006 46.354 45.100 0.413 0.000 0.769 203 G HN 0.456 nan 8.290 nan 0.000 0.547 204 L N 0.288 121.621 121.223 0.183 0.000 2.056 204 L HA -0.055 4.301 4.340 0.027 0.000 0.207 204 L C 2.950 179.959 176.870 0.232 0.000 1.078 204 L CA 0.355 55.293 54.840 0.163 0.000 0.749 204 L CB -0.704 41.443 42.059 0.145 0.000 0.901 204 L HN 0.063 nan 8.230 nan 0.000 0.433 205 V N 0.640 120.718 119.914 0.273 0.000 2.287 205 V HA -0.312 3.824 4.120 0.027 0.000 0.248 205 V C 2.857 179.108 176.094 0.262 0.000 1.053 205 V CA 1.939 64.435 62.300 0.327 0.000 1.027 205 V CB -0.986 31.063 31.823 0.377 0.000 0.646 205 V HN 0.491 nan 8.190 nan 0.000 0.447 206 A N -0.229 122.723 122.820 0.221 0.000 1.978 206 A HA -0.058 4.278 4.320 0.027 0.000 0.220 206 A C 2.144 179.751 177.584 0.037 0.000 1.170 206 A CA 1.985 53.950 52.037 -0.121 0.000 0.636 206 A CB -0.515 18.321 19.000 -0.273 0.000 0.810 206 A HN 0.644 nan 8.150 nan 0.000 0.448 207 A N -1.928 120.999 122.820 0.180 0.000 2.308 207 A HA 0.450 4.786 4.320 0.027 0.000 0.217 207 A C 1.605 179.255 177.584 0.110 0.000 1.216 207 A CA 0.999 53.136 52.037 0.166 0.000 0.864 207 A CB -0.844 18.260 19.000 0.173 0.000 0.902 207 A HN 1.866 nan 8.150 nan 0.000 0.499 208 G N -0.808 108.063 108.800 0.118 0.000 2.176 208 G HA2 -0.238 3.738 3.960 0.027 0.000 0.252 208 G HA3 -0.238 3.738 3.960 0.027 0.000 0.252 208 G C 0.476 175.444 174.900 0.112 0.000 1.024 208 G CA 0.595 45.763 45.100 0.112 0.000 0.755 208 G HN 0.531 nan 8.290 nan 0.000 0.507 209 L N -0.580 120.725 121.223 0.136 0.000 2.693 209 L HA 0.383 4.739 4.340 0.027 0.000 0.235 209 L C 0.880 177.855 176.870 0.175 0.000 1.127 209 L CA -0.223 54.688 54.840 0.118 0.000 0.914 209 L CB 0.350 42.460 42.059 0.085 0.000 1.193 209 L HN 0.413 nan 8.230 nan 0.000 0.502 210 H N 0.307 119.457 119.070 0.133 0.000 2.771 210 H HA 0.358 4.931 4.556 0.028 0.000 0.361 210 H C -2.670 172.785 175.328 0.212 0.000 1.108 210 H CA -1.942 54.206 56.048 0.167 0.000 1.201 210 H CB 2.664 32.548 29.762 0.203 0.000 1.681 210 H HN -0.257 nan 8.280 nan 0.000 0.534 211 P HA -0.085 nan 4.420 nan 0.000 0.263 211 P C -0.185 177.480 177.300 0.608 0.000 1.175 211 P CA 0.277 63.590 63.100 0.355 0.000 0.761 211 P CB 0.468 32.306 31.700 0.231 0.000 0.794 212 N N 4.315 123.272 118.700 0.428 0.000 2.430 212 N HA 0.088 4.844 4.740 0.027 0.000 0.265 212 N C -1.469 174.202 175.510 0.269 0.000 1.100 212 N CA -2.179 51.063 53.050 0.320 0.000 0.961 212 N CB 0.416 39.038 38.487 0.225 0.000 1.075 212 N HN 0.224 nan 8.380 nan 0.000 0.478 213 P HA -0.059 nan 4.420 nan 0.000 0.225 213 P C 1.344 178.565 177.300 -0.132 0.000 1.156 213 P CA 0.373 63.213 63.100 -0.434 0.000 0.787 213 P CB 0.486 31.517 31.700 -1.115 0.000 0.802 214 V N 2.034 121.895 119.914 -0.089 0.000 2.278 214 V HA -0.181 3.955 4.120 0.027 0.000 0.251 214 V C -0.242 175.794 176.094 -0.096 0.000 1.062 214 V CA 2.723 64.978 62.300 -0.076 0.000 1.038 214 V CB -2.578 29.230 31.823 -0.024 0.000 0.646 214 V HN 0.215 nan 8.190 nan 0.000 0.447 215 P HA -0.089 nan 4.420 nan 0.000 0.226 215 P C 0.876 177.929 177.300 -0.411 0.000 1.153 215 P CA 1.376 64.287 63.100 -0.315 0.000 0.777 215 P CB -0.067 31.348 31.700 -0.476 0.000 0.794 216 Y N -1.169 119.105 120.300 -0.043 0.000 2.498 216 Y HA 0.441 5.007 4.550 0.026 0.000 0.259 216 Y C 1.308 177.136 175.900 -0.120 0.000 1.086 216 Y CA -0.328 57.750 58.100 -0.036 0.000 1.287 216 Y CB -0.238 38.270 38.460 0.081 0.000 1.146 216 Y HN -0.201 nan 8.280 nan 0.000 0.523 217 A N -0.654 122.150 122.820 -0.026 0.000 2.312 217 A HA 0.394 4.730 4.320 0.027 0.000 0.326 217 A C -0.094 177.372 177.584 -0.196 0.000 1.172 217 A CA -0.433 51.548 52.037 -0.094 0.000 0.821 217 A CB 0.324 19.274 19.000 -0.082 0.000 1.166 217 A HN 0.462 nan 8.150 nan 0.000 0.493 218 H N 0.965 119.973 119.070 -0.103 0.000 2.357 218 H HA 0.089 4.661 4.556 0.027 0.000 0.301 218 H C -0.643 174.215 175.328 -0.784 0.000 1.082 218 H CA 2.138 57.944 56.048 -0.404 0.000 1.342 218 H CB -0.020 29.394 29.762 -0.579 0.000 1.389 218 H HN 0.588 nan 8.280 nan 0.000 0.511 219 F N -0.465 119.511 119.950 0.043 0.000 2.556 219 F HA 0.473 5.016 4.527 0.026 0.000 0.314 219 F C -0.857 174.896 175.800 -0.078 0.000 1.106 219 F CA -1.198 56.779 58.000 -0.038 0.000 0.911 219 F CB 1.891 40.826 39.000 -0.108 0.000 1.190 219 F HN -0.338 nan 8.300 nan 0.000 0.448 220 V N 1.749 121.699 119.914 0.059 0.000 2.444 220 V HA 0.581 4.717 4.120 0.027 0.000 0.294 220 V C -0.227 175.818 176.094 -0.082 0.000 1.022 220 V CA -0.711 61.543 62.300 -0.076 0.000 0.850 220 V CB 1.903 33.612 31.823 -0.190 0.000 0.992 220 V HN 0.892 nan 8.190 nan 0.000 0.426 221 T N 0.846 115.343 114.554 -0.094 0.000 2.945 221 T HA 0.827 5.193 4.350 0.027 0.000 0.286 221 T C -0.309 174.311 174.700 -0.133 0.000 1.025 221 T CA -0.660 61.381 62.100 -0.098 0.000 1.039 221 T CB 2.110 70.930 68.868 -0.078 0.000 1.068 221 T HN 0.721 nan 8.240 nan 0.000 0.497 222 T N 0.565 115.042 114.554 -0.128 0.000 2.830 222 T HA 0.594 4.961 4.350 0.027 0.000 0.322 222 T C -0.603 174.023 174.700 -0.123 0.000 1.501 222 T CA -0.413 61.598 62.100 -0.148 0.000 1.036 222 T CB 1.437 70.172 68.868 -0.221 0.000 1.379 222 T HN 1.185 nan 8.240 nan 0.000 0.493 223 T N -0.064 114.377 114.554 -0.188 0.000 2.902 223 T HA 0.474 4.840 4.350 0.027 0.000 0.280 223 T C 1.346 175.921 174.700 -0.208 0.000 0.992 223 T CA 0.124 62.066 62.100 -0.263 0.000 1.015 223 T CB 1.047 69.518 68.868 -0.661 0.000 1.044 223 T HN 0.744 nan 8.240 nan 0.000 0.520 224 T N -2.135 112.357 114.554 -0.103 0.000 3.086 224 T HA 0.062 4.428 4.350 0.027 0.000 0.250 224 T C 1.193 175.908 174.700 0.026 0.000 1.074 224 T CA 0.114 62.244 62.100 0.050 0.000 0.988 224 T CB -0.472 68.476 68.868 0.135 0.000 0.988 224 T HN 0.929 nan 8.240 nan 0.000 0.530 225 H N -0.362 118.705 119.070 -0.006 0.000 2.652 225 H HA 0.474 5.047 4.556 0.028 0.000 0.274 225 H C 0.782 176.079 175.328 -0.052 0.000 1.021 225 H CA -0.563 55.468 56.048 -0.028 0.000 1.187 225 H CB 0.387 30.120 29.762 -0.047 0.000 1.505 225 H HN 0.249 nan 8.280 nan 0.000 0.530 226 K N 1.216 121.501 120.400 -0.191 0.000 3.730 226 K HA 0.058 4.394 4.320 0.027 0.000 0.166 226 K C 1.950 178.514 176.600 -0.059 0.000 1.148 226 K CA 0.757 56.940 56.287 -0.174 0.000 1.638 226 K CB -0.225 32.052 32.500 -0.373 0.000 2.264 226 K HN 0.130 nan 8.250 nan 0.000 0.518 227 T N 0.293 114.786 114.554 -0.100 0.000 2.929 227 T HA -0.096 4.270 4.350 0.027 0.000 0.271 227 T C 1.779 176.633 174.700 0.256 0.000 1.085 227 T CA 0.785 62.895 62.100 0.016 0.000 1.125 227 T CB -0.102 68.681 68.868 -0.141 0.000 0.874 227 T HN 0.098 nan 8.240 nan 0.000 0.494 228 L N 1.107 122.453 121.223 0.205 0.000 2.376 228 L HA 0.342 4.698 4.340 0.027 0.000 0.219 228 L C 1.587 178.623 176.870 0.276 0.000 1.133 228 L CA 0.886 55.900 54.840 0.289 0.000 0.816 228 L CB -1.090 41.094 42.059 0.210 0.000 0.933 228 L HN 0.424 nan 8.230 nan 0.000 0.449 229 R N -1.028 119.605 120.500 0.221 0.000 3.525 229 R HA -0.158 4.198 4.340 0.027 0.000 0.276 229 R C 0.391 176.753 176.300 0.104 0.000 1.116 229 R CA 0.434 56.637 56.100 0.172 0.000 0.745 229 R CB -1.681 28.762 30.300 0.238 0.000 1.185 229 R HN 0.549 nan 8.270 nan 0.000 0.454 230 G N 0.084 108.935 108.800 0.086 0.000 2.938 230 G HA2 0.701 4.677 3.960 0.027 0.000 0.258 230 G HA3 0.701 4.677 3.960 0.027 0.000 0.258 230 G C -2.633 172.290 174.900 0.038 0.000 1.356 230 G CA -0.970 44.147 45.100 0.029 0.000 1.052 230 G HN 0.126 nan 8.290 nan 0.000 0.550 231 P HA 0.178 nan 4.420 nan 0.000 0.273 231 P C -0.595 176.732 177.300 0.045 0.000 1.250 231 P CA -0.492 62.600 63.100 -0.014 0.000 0.793 231 P CB 0.998 32.654 31.700 -0.073 0.000 1.011 232 R N 0.288 120.766 120.500 -0.037 0.000 2.296 232 R HA 0.508 4.864 4.340 0.027 0.000 0.323 232 R C 0.298 176.607 176.300 0.014 0.000 1.067 232 R CA 0.544 56.565 56.100 -0.132 0.000 0.946 232 R CB -0.609 29.486 30.300 -0.343 0.000 0.991 232 R HN 0.846 nan 8.270 nan 0.000 0.448 233 G N 1.373 110.311 108.800 0.231 0.000 2.320 233 G HA2 0.395 4.371 3.960 0.027 0.000 0.296 233 G HA3 0.395 4.371 3.960 0.027 0.000 0.296 233 G C -1.309 173.682 174.900 0.152 0.000 1.306 233 G CA -0.420 44.764 45.100 0.141 0.000 0.836 233 G HN 0.772 nan 8.290 nan 0.000 0.517 234 G N -1.372 107.478 108.800 0.084 0.000 2.685 234 G HA2 0.827 4.803 3.960 0.027 0.000 0.298 234 G HA3 0.827 4.803 3.960 0.027 0.000 0.298 234 G C -0.812 174.114 174.900 0.043 0.000 1.277 234 G CA -0.430 44.697 45.100 0.045 0.000 0.986 234 G HN 1.175 nan 8.290 nan 0.000 0.487 235 M N -0.087 119.522 119.600 0.015 0.000 2.471 235 M HA 0.599 5.095 4.480 0.027 0.000 0.284 235 M C -2.099 174.183 176.300 -0.029 0.000 1.203 235 M CA -0.630 54.680 55.300 0.018 0.000 0.915 235 M CB 2.191 34.823 32.600 0.054 0.000 1.734 235 M HN 0.393 nan 8.290 nan 0.000 0.485 236 I N 4.724 125.286 120.570 -0.012 0.000 2.433 236 I HA 0.488 4.674 4.170 0.027 0.000 0.292 236 I C -1.227 174.886 176.117 -0.007 0.000 1.001 236 I CA -0.685 60.613 61.300 -0.004 0.000 1.119 236 I CB 1.910 39.937 38.000 0.045 0.000 1.289 236 I HN 0.590 nan 8.210 nan 0.000 0.438 237 L N 6.229 127.438 121.223 -0.022 0.000 2.334 237 L HA 0.799 5.155 4.340 0.027 0.000 0.276 237 L C -0.482 176.434 176.870 0.077 0.000 1.014 237 L CA -0.623 54.208 54.840 -0.014 0.000 0.815 237 L CB 1.844 43.836 42.059 -0.111 0.000 1.268 237 L HN 0.803 nan 8.230 nan 0.000 0.428 238 C N -0.194 119.183 119.300 0.129 0.000 3.321 238 C HA 0.438 4.914 4.460 0.027 0.000 0.329 238 C C -0.757 174.323 174.990 0.150 0.000 1.394 238 C CA -1.080 58.033 59.018 0.158 0.000 1.291 238 C CB 1.672 29.594 27.740 0.305 0.000 1.606 238 C HN 0.878 nan 8.230 nan 0.000 0.463 239 Q N 0.735 120.625 119.800 0.149 0.000 2.352 239 Q HA 0.166 4.522 4.340 0.027 0.000 0.260 239 Q C 0.820 176.824 176.000 0.007 0.000 0.976 239 Q CA 0.140 55.980 55.803 0.062 0.000 0.881 239 Q CB 1.168 29.921 28.738 0.025 0.000 1.235 239 Q HN 0.812 nan 8.270 nan 0.000 0.419 240 E N 2.211 122.383 120.200 -0.046 0.000 2.171 240 E HA -0.299 4.068 4.350 0.027 0.000 0.197 240 E C 1.755 178.244 176.600 -0.185 0.000 0.997 240 E CA 2.186 58.531 56.400 -0.092 0.000 0.810 240 E CB 0.056 29.712 29.700 -0.072 0.000 0.738 240 E HN 0.699 nan 8.360 nan 0.000 0.467 241 Q N -1.226 118.388 119.800 -0.311 0.000 2.291 241 Q HA -0.154 4.202 4.340 0.027 0.000 0.206 241 Q C 1.074 176.784 176.000 -0.484 0.000 0.976 241 Q CA 1.482 57.008 55.803 -0.463 0.000 0.875 241 Q CB -0.339 28.006 28.738 -0.654 0.000 0.927 241 Q HN 0.356 nan 8.270 nan 0.000 0.450 242 F N 0.004 119.944 119.950 -0.016 0.000 2.695 242 F HA 0.492 5.035 4.527 0.026 0.000 0.303 242 F C 2.117 177.915 175.800 -0.002 0.000 1.091 242 F CA -0.226 57.802 58.000 0.047 0.000 1.300 242 F CB -0.109 38.980 39.000 0.149 0.000 1.071 242 F HN 0.126 nan 8.300 nan 0.000 0.578 243 A N 0.850 123.643 122.820 -0.045 0.000 1.873 243 A HA -0.289 4.047 4.320 0.027 0.000 0.218 243 A C 2.347 179.756 177.584 -0.292 0.000 1.193 243 A CA 2.211 53.998 52.037 -0.417 0.000 0.629 243 A CB -0.685 17.815 19.000 -0.833 0.000 0.826 243 A HN 0.334 nan 8.150 nan 0.000 0.447 244 K N -0.841 119.455 120.400 -0.173 0.000 2.026 244 K HA -0.207 4.129 4.320 0.027 0.000 0.208 244 K C 2.354 178.952 176.600 -0.004 0.000 1.048 244 K CA 1.813 58.044 56.287 -0.093 0.000 0.929 244 K CB -0.195 32.272 32.500 -0.055 0.000 0.713 244 K HN 0.654 nan 8.250 nan 0.000 0.439 245 Q N 0.061 119.895 119.800 0.058 0.000 2.079 245 Q HA -0.121 4.235 4.340 0.027 0.000 0.200 245 Q C 2.063 178.131 176.000 0.112 0.000 0.974 245 Q CA 1.119 56.981 55.803 0.100 0.000 0.840 245 Q CB 0.031 28.857 28.738 0.146 0.000 0.898 245 Q HN 0.290 nan 8.270 nan 0.000 0.430 246 I N 1.318 121.970 120.570 0.136 0.000 2.179 246 I HA -0.248 3.938 4.170 0.027 0.000 0.242 246 I C 1.545 177.743 176.117 0.136 0.000 1.088 246 I CA 1.440 62.825 61.300 0.143 0.000 1.357 246 I CB -0.988 37.146 38.000 0.224 0.000 1.051 246 I HN 0.218 nan 8.210 nan 0.000 0.409 247 D N 0.933 121.375 120.400 0.069 0.000 2.117 247 D HA -0.173 4.483 4.640 0.027 0.000 0.197 247 D C 2.208 178.639 176.300 0.218 0.000 0.987 247 D CA 1.181 55.175 54.000 -0.010 0.000 0.829 247 D CB -0.133 40.384 40.800 -0.471 0.000 0.961 247 D HN 0.328 nan 8.370 nan 0.000 0.460 248 K N 0.333 120.832 120.400 0.165 0.000 2.217 248 K HA 0.045 4.381 4.320 0.027 0.000 0.202 248 K C 2.049 178.767 176.600 0.197 0.000 1.051 248 K CA 0.786 57.190 56.287 0.195 0.000 0.952 248 K CB 0.058 32.640 32.500 0.136 0.000 0.736 248 K HN 0.019 nan 8.250 nan 0.000 0.453 249 A N 1.625 124.572 122.820 0.212 0.000 1.902 249 A HA -0.149 4.188 4.320 0.027 0.000 0.217 249 A C 2.033 179.690 177.584 0.122 0.000 1.181 249 A CA 1.126 53.321 52.037 0.263 0.000 0.623 249 A CB -0.344 18.809 19.000 0.255 0.000 0.818 249 A HN 0.076 nan 8.150 nan 0.000 0.443 250 I N -2.561 118.107 120.570 0.163 0.000 2.202 250 I HA 0.004 4.190 4.170 0.027 0.000 0.242 250 I C 0.587 176.827 176.117 0.205 0.000 1.091 250 I CA 1.348 62.736 61.300 0.146 0.000 1.368 250 I CB -0.629 37.498 38.000 0.211 0.000 1.058 250 I HN 0.342 nan 8.210 nan 0.000 0.410 251 F N 2.226 122.269 119.950 0.155 0.000 2.588 251 F HA 0.405 4.949 4.527 0.030 0.000 0.318 251 F C -2.248 173.662 175.800 0.184 0.000 1.155 251 F CA -1.806 56.257 58.000 0.106 0.000 0.967 251 F CB 2.009 41.028 39.000 0.031 0.000 1.236 251 F HN -0.238 nan 8.300 nan 0.000 0.455 252 P HA 0.190 nan 4.420 nan 0.000 0.256 252 P C 0.907 177.954 177.300 -0.421 0.000 1.384 252 P CA 0.484 62.923 63.100 -1.102 0.000 0.879 252 P CB 0.394 31.492 31.700 -1.003 0.000 1.403 253 G N 2.211 110.896 108.800 -0.192 0.000 2.505 253 G HA2 -0.178 3.798 3.960 0.027 0.000 0.214 253 G HA3 -0.178 3.798 3.960 0.027 0.000 0.214 253 G C 1.262 175.891 174.900 -0.453 0.000 1.237 253 G CA 1.043 46.008 45.100 -0.225 0.000 0.802 253 G HN 0.425 nan 8.290 nan 0.000 0.549 254 I N -3.336 117.017 120.570 -0.362 0.000 4.323 254 I HA 0.434 4.620 4.170 0.027 0.000 0.328 254 I C 0.708 176.739 176.117 -0.143 0.000 1.310 254 I CA -0.179 60.916 61.300 -0.341 0.000 1.186 254 I CB 0.522 38.287 38.000 -0.392 0.000 1.130 254 I HN 0.063 nan 8.210 nan 0.000 0.411 255 Q N 0.911 120.686 119.800 -0.041 0.000 2.572 255 Q HA 0.663 5.019 4.340 0.027 0.000 0.284 255 Q C -0.004 176.138 176.000 0.237 0.000 1.091 255 Q CA -0.460 55.382 55.803 0.065 0.000 0.840 255 Q CB 2.195 30.893 28.738 -0.067 0.000 1.433 255 Q HN 0.277 nan 8.270 nan 0.000 0.471 256 G N -0.520 108.446 108.800 0.276 0.000 3.434 256 G HA2 0.461 4.437 3.960 0.027 0.000 0.197 256 G HA3 0.461 4.437 3.960 0.027 0.000 0.197 256 G C -0.299 174.696 174.900 0.158 0.000 1.559 256 G CA -0.175 45.139 45.100 0.357 0.000 0.852 256 G HN 0.577 nan 8.290 nan 0.000 0.682 257 G N 1.847 110.761 108.800 0.190 0.000 2.365 257 G HA2 0.484 4.460 3.960 0.027 0.000 0.249 257 G HA3 0.484 4.460 3.960 0.027 0.000 0.249 257 G C -2.022 172.868 174.900 -0.016 0.000 1.288 257 G CA -0.334 44.779 45.100 0.022 0.000 0.887 257 G HN 0.382 nan 8.290 nan 0.000 0.524 258 P HA 0.160 nan 4.420 nan 0.000 0.274 258 P C -0.119 177.181 177.300 -0.001 0.000 1.246 258 P CA -0.449 62.637 63.100 -0.024 0.000 0.795 258 P CB 1.208 32.836 31.700 -0.120 0.000 1.006 259 L N 2.342 123.587 121.223 0.037 0.000 2.356 259 L HA 0.140 4.496 4.340 0.027 0.000 0.282 259 L C 1.805 178.620 176.870 -0.092 0.000 1.132 259 L CA -0.519 54.293 54.840 -0.046 0.000 0.923 259 L CB -0.092 41.857 42.059 -0.183 0.000 1.278 259 L HN 0.227 nan 8.230 nan 0.000 0.436 260 M N 1.431 121.054 119.600 0.039 0.000 2.213 260 M HA -0.156 4.341 4.480 0.027 0.000 0.263 260 M C 2.395 178.719 176.300 0.041 0.000 1.062 260 M CA 1.550 56.867 55.300 0.027 0.000 1.105 260 M CB -1.083 31.537 32.600 0.033 0.000 1.385 260 M HN 0.644 nan 8.290 nan 0.000 0.417 261 H N -0.780 118.257 119.070 -0.055 0.000 2.389 261 H HA 0.030 4.589 4.556 0.006 0.000 0.299 261 H C 2.066 177.361 175.328 -0.055 0.000 1.081 261 H CA 1.463 57.480 56.048 -0.052 0.000 1.345 261 H CB -1.424 28.306 29.762 -0.054 0.000 1.393 261 H HN 0.249 nan 8.280 nan 0.000 0.520 262 V N 1.619 121.204 119.914 -0.548 0.000 2.427 262 V HA -0.171 3.965 4.120 0.027 0.000 0.248 262 V C 2.969 178.941 176.094 -0.204 0.000 1.051 262 V CA 1.465 63.554 62.300 -0.351 0.000 1.048 262 V CB -0.557 31.047 31.823 -0.365 0.000 0.666 262 V HN 0.251 nan 8.190 nan 0.000 0.456 263 I N 0.599 121.072 120.570 -0.162 0.000 2.286 263 I HA -0.218 3.968 4.170 0.027 0.000 0.248 263 I C 2.687 178.730 176.117 -0.123 0.000 1.115 263 I CA 1.323 62.553 61.300 -0.116 0.000 1.392 263 I CB -0.566 37.398 38.000 -0.062 0.000 1.065 263 I HN 0.287 nan 8.210 nan 0.000 0.418 264 A N 0.944 123.711 122.820 -0.088 0.000 1.883 264 A HA -0.229 4.107 4.320 0.027 0.000 0.217 264 A C 2.562 180.075 177.584 -0.119 0.000 1.186 264 A CA 2.076 54.070 52.037 -0.073 0.000 0.624 264 A CB -0.926 18.059 19.000 -0.026 0.000 0.822 264 A HN 0.431 nan 8.150 nan 0.000 0.444 265 A N -0.445 122.298 122.820 -0.129 0.000 1.933 265 A HA -0.171 4.165 4.320 0.027 0.000 0.218 265 A C 2.099 179.528 177.584 -0.259 0.000 1.175 265 A CA 1.863 53.811 52.037 -0.149 0.000 0.628 265 A CB -0.435 18.495 19.000 -0.117 0.000 0.814 265 A HN 0.574 nan 8.150 nan 0.000 0.444 266 K N -0.318 119.871 120.400 -0.352 0.000 2.032 266 K HA -0.112 4.224 4.320 0.027 0.000 0.209 266 K C 2.367 178.338 176.600 -1.048 0.000 1.048 266 K CA 1.222 57.074 56.287 -0.725 0.000 0.927 266 K CB -0.386 31.752 32.500 -0.605 0.000 0.712 266 K HN 0.440 nan 8.250 nan 0.000 0.441 267 A N 1.128 123.627 122.820 -0.535 0.000 1.883 267 A HA -0.165 4.171 4.320 0.027 0.000 0.217 267 A C 2.407 179.873 177.584 -0.196 0.000 1.186 267 A CA 1.775 53.650 52.037 -0.271 0.000 0.624 267 A CB -0.842 18.103 19.000 -0.092 0.000 0.822 267 A HN 0.091 nan 8.150 nan 0.000 0.444 268 V N -0.153 119.651 119.914 -0.184 0.000 2.287 268 V HA -0.279 3.857 4.120 0.027 0.000 0.248 268 V C 3.065 179.089 176.094 -0.117 0.000 1.053 268 V CA 2.105 64.337 62.300 -0.113 0.000 1.027 268 V CB -1.396 30.374 31.823 -0.088 0.000 0.646 268 V HN 0.637 nan 8.190 nan 0.000 0.447 269 A N -0.495 122.208 122.820 -0.194 0.000 1.902 269 A HA -0.181 4.155 4.320 0.027 0.000 0.217 269 A C 2.146 179.710 177.584 -0.033 0.000 1.181 269 A CA 1.874 53.829 52.037 -0.136 0.000 0.623 269 A CB -0.760 18.143 19.000 -0.161 0.000 0.818 269 A HN 0.551 nan 8.150 nan 0.000 0.443 270 F N -0.035 119.850 119.950 -0.109 0.000 2.146 270 F HA -0.102 4.449 4.527 0.039 0.000 0.298 270 F C 2.740 178.446 175.800 -0.158 0.000 1.096 270 F CA 0.253 58.168 58.000 -0.142 0.000 1.275 270 F CB -0.584 38.369 39.000 -0.079 0.000 1.008 270 F HN 0.370 nan 8.300 nan 0.000 0.480 271 G N 0.334 109.175 108.800 0.068 0.000 2.446 271 G HA2 -0.253 3.723 3.960 0.027 0.000 0.217 271 G HA3 -0.253 3.723 3.960 0.027 0.000 0.217 271 G C 1.373 176.255 174.900 -0.029 0.000 1.168 271 G CA 0.956 46.061 45.100 0.008 0.000 0.771 271 G HN 0.350 nan 8.290 nan 0.000 0.551 272 E N 0.515 120.686 120.200 -0.047 0.000 2.077 272 E HA -0.034 4.332 4.350 0.027 0.000 0.193 272 E C 2.896 179.412 176.600 -0.140 0.000 0.989 272 E CA 0.763 57.135 56.400 -0.047 0.000 0.800 272 E CB -0.195 29.491 29.700 -0.023 0.000 0.746 272 E HN 0.424 nan 8.360 nan 0.000 0.452 273 A N 0.970 123.553 122.820 -0.395 0.000 2.015 273 A HA -0.108 4.229 4.320 0.027 0.000 0.219 273 A C 2.106 179.476 177.584 -0.356 0.000 1.163 273 A CA 0.824 52.323 52.037 -0.896 0.000 0.646 273 A CB -0.434 17.977 19.000 -0.982 0.000 0.806 273 A HN 0.137 nan 8.150 nan 0.000 0.448 274 L N -0.505 120.608 121.223 -0.183 0.000 2.291 274 L HA -0.095 4.261 4.340 0.027 0.000 0.214 274 L C 1.037 177.900 176.870 -0.013 0.000 1.120 274 L CA 0.281 55.065 54.840 -0.092 0.000 0.799 274 L CB -0.306 41.711 42.059 -0.070 0.000 0.925 274 L HN 0.492 nan 8.230 nan 0.000 0.446 275 Q N -0.100 119.714 119.800 0.023 0.000 2.394 275 Q HA -0.039 4.318 4.340 0.027 0.000 0.248 275 Q C 0.471 176.540 176.000 0.115 0.000 0.992 275 Q CA -0.513 55.330 55.803 0.066 0.000 0.888 275 Q CB 0.835 29.618 28.738 0.075 0.000 1.257 275 Q HN 0.041 nan 8.270 nan 0.000 0.462 276 D N 1.496 121.949 120.400 0.090 0.000 2.149 276 D HA -0.181 4.475 4.640 0.027 0.000 0.198 276 D C 1.251 177.624 176.300 0.121 0.000 0.990 276 D CA 1.575 55.631 54.000 0.094 0.000 0.839 276 D CB -0.110 40.728 40.800 0.063 0.000 0.948 276 D HN 0.638 nan 8.370 nan 0.000 0.460 277 D N -0.131 120.345 120.400 0.127 0.000 2.219 277 D HA -0.178 4.478 4.640 0.027 0.000 0.205 277 D C 1.962 178.375 176.300 0.188 0.000 0.970 277 D CA 0.279 54.357 54.000 0.130 0.000 0.851 277 D CB -1.053 39.809 40.800 0.103 0.000 0.943 277 D HN 0.269 nan 8.370 nan 0.000 0.488 278 F N 1.271 121.280 119.950 0.099 0.000 2.171 278 F HA -0.080 4.462 4.527 0.025 0.000 0.300 278 F C 1.932 177.844 175.800 0.188 0.000 1.090 278 F CA 1.234 59.331 58.000 0.162 0.000 1.293 278 F CB 0.076 39.141 39.000 0.108 0.000 1.013 278 F HN -0.238 nan 8.300 nan 0.000 0.486 279 K N 0.646 121.196 120.400 0.250 0.000 2.057 279 K HA -0.078 4.258 4.320 0.027 0.000 0.207 279 K C 2.262 178.873 176.600 0.018 0.000 1.049 279 K CA 1.365 57.727 56.287 0.124 0.000 0.931 279 K CB -0.979 31.598 32.500 0.127 0.000 0.714 279 K HN 0.327 nan 8.250 nan 0.000 0.440 280 A N -0.015 122.832 122.820 0.046 0.000 1.898 280 A HA -0.195 4.141 4.320 0.027 0.000 0.216 280 A C 2.155 179.737 177.584 -0.004 0.000 1.181 280 A CA 1.532 53.585 52.037 0.026 0.000 0.620 280 A CB -0.903 18.130 19.000 0.054 0.000 0.819 280 A HN 0.435 nan 8.150 nan 0.000 0.442 281 Y N 0.931 121.156 120.300 -0.125 0.000 2.081 281 Y HA -0.195 4.374 4.550 0.032 0.000 0.280 281 Y C 2.571 178.333 175.900 -0.231 0.000 1.163 281 Y CA 1.600 59.589 58.100 -0.185 0.000 1.135 281 Y CB -0.791 37.505 38.460 -0.274 0.000 0.970 281 Y HN 0.286 nan 8.280 nan 0.000 0.498 282 A N 0.469 122.910 122.820 -0.633 0.000 1.933 282 A HA -0.229 4.107 4.320 0.027 0.000 0.218 282 A C 2.359 179.738 177.584 -0.341 0.000 1.175 282 A CA 1.973 53.636 52.037 -0.624 0.000 0.628 282 A CB -0.845 17.930 19.000 -0.375 0.000 0.814 282 A HN 0.582 nan 8.150 nan 0.000 0.444 283 K N -0.470 119.811 120.400 -0.199 0.000 2.057 283 K HA -0.127 4.209 4.320 0.027 0.000 0.207 283 K C 2.267 178.799 176.600 -0.115 0.000 1.049 283 K CA 1.249 57.472 56.287 -0.107 0.000 0.931 283 K CB -0.164 32.307 32.500 -0.049 0.000 0.714 283 K HN 0.438 nan 8.250 nan 0.000 0.440 284 R N 0.163 120.576 120.500 -0.144 0.000 2.096 284 R HA -0.092 4.264 4.340 0.027 0.000 0.235 284 R C 2.266 178.485 176.300 -0.136 0.000 1.127 284 R CA 1.238 57.276 56.100 -0.103 0.000 0.968 284 R CB -0.331 29.938 30.300 -0.053 0.000 0.861 284 R HN 0.066 nan 8.270 nan 0.000 0.440 285 V N 0.634 120.376 119.914 -0.286 0.000 2.255 285 V HA -0.249 3.887 4.120 0.027 0.000 0.247 285 V C 2.379 178.419 176.094 -0.089 0.000 1.051 285 V CA 1.856 64.016 62.300 -0.233 0.000 1.018 285 V CB -0.383 31.201 31.823 -0.398 0.000 0.641 285 V HN 0.120 nan 8.190 nan 0.000 0.445 286 V N -0.006 119.860 119.914 -0.081 0.000 2.358 286 V HA -0.224 3.913 4.120 0.027 0.000 0.246 286 V C 2.275 178.361 176.094 -0.014 0.000 1.047 286 V CA 2.052 64.342 62.300 -0.017 0.000 1.035 286 V CB -0.764 31.058 31.823 -0.002 0.000 0.658 286 V HN 0.534 nan 8.190 nan 0.000 0.452 287 D N 0.473 120.858 120.400 -0.025 0.000 2.104 287 D HA -0.154 4.502 4.640 0.027 0.000 0.194 287 D C 2.080 178.380 176.300 -0.000 0.000 0.994 287 D CA 1.311 55.304 54.000 -0.011 0.000 0.830 287 D CB -0.430 40.363 40.800 -0.012 0.000 0.959 287 D HN 0.354 nan 8.370 nan 0.000 0.452 288 N N 0.569 119.269 118.700 -0.000 0.000 2.120 288 N HA -0.099 4.658 4.740 0.027 0.000 0.188 288 N C 1.706 177.228 175.510 0.020 0.000 1.024 288 N CA 1.299 54.362 53.050 0.021 0.000 0.852 288 N CB -0.417 38.092 38.487 0.037 0.000 1.003 288 N HN 0.141 nan 8.380 nan 0.000 0.424 289 A N 1.208 124.034 122.820 0.009 0.000 1.902 289 A HA -0.127 4.209 4.320 0.027 0.000 0.217 289 A C 2.135 179.718 177.584 -0.001 0.000 1.181 289 A CA 1.399 53.437 52.037 0.002 0.000 0.623 289 A CB -0.350 18.649 19.000 -0.002 0.000 0.818 289 A HN 0.249 nan 8.150 nan 0.000 0.443 290 K N -1.014 119.386 120.400 0.001 0.000 2.097 290 K HA -0.139 4.197 4.320 0.027 0.000 0.205 290 K C 2.342 178.946 176.600 0.008 0.000 1.050 290 K CA 1.445 57.733 56.287 0.002 0.000 0.938 290 K CB -0.118 32.383 32.500 0.002 0.000 0.718 290 K HN 0.316 nan 8.250 nan 0.000 0.442 291 R N 1.399 121.906 120.500 0.012 0.000 2.066 291 R HA -0.100 4.256 4.340 0.027 0.000 0.232 291 R C 2.054 178.368 176.300 0.023 0.000 1.131 291 R CA 1.135 57.246 56.100 0.018 0.000 0.955 291 R CB -0.792 29.520 30.300 0.020 0.000 0.851 291 R HN 0.104 nan 8.270 nan 0.000 0.432 292 L N 0.394 121.631 121.223 0.023 0.000 2.042 292 L HA -0.010 4.346 4.340 0.027 0.000 0.210 292 L C 2.105 178.986 176.870 0.019 0.000 1.076 292 L CA 2.222 57.076 54.840 0.024 0.000 0.749 292 L CB -1.081 40.990 42.059 0.019 0.000 0.893 292 L HN 0.300 nan 8.230 nan 0.000 0.432 293 A N -1.482 121.344 122.820 0.010 0.000 1.865 293 A HA -0.230 4.106 4.320 0.027 0.000 0.217 293 A C 2.397 180.000 177.584 0.032 0.000 1.191 293 A CA 2.241 54.285 52.037 0.012 0.000 0.623 293 A CB -1.091 17.909 19.000 0.000 0.000 0.826 293 A HN 0.527 nan 8.150 nan 0.000 0.444 294 S N -0.169 115.548 115.700 0.028 0.000 2.356 294 S HA -0.054 4.432 4.470 0.027 0.000 0.223 294 S C 2.309 176.937 174.600 0.045 0.000 1.032 294 S CA 1.277 59.497 58.200 0.032 0.000 1.005 294 S CB -0.528 62.685 63.200 0.023 0.000 0.867 294 S HN 0.819 nan 8.310 nan 0.000 0.449 295 A N 1.302 124.151 122.820 0.047 0.000 1.933 295 A HA 0.018 4.354 4.320 0.027 0.000 0.218 295 A C 2.124 179.768 177.584 0.100 0.000 1.175 295 A CA 1.074 53.147 52.037 0.059 0.000 0.628 295 A CB -0.694 18.336 19.000 0.050 0.000 0.814 295 A HN 0.443 nan 8.150 nan 0.000 0.444 296 L N -0.951 120.341 121.223 0.116 0.000 2.046 296 L HA -0.258 4.098 4.340 0.027 0.000 0.208 296 L C 2.892 179.927 176.870 0.276 0.000 1.077 296 L CA 1.619 56.596 54.840 0.227 0.000 0.747 296 L CB -0.558 41.567 42.059 0.110 0.000 0.896 296 L HN 0.477 nan 8.230 nan 0.000 0.432 297 Q N -0.514 119.378 119.800 0.153 0.000 2.124 297 Q HA -0.206 4.150 4.340 0.027 0.000 0.202 297 Q C 2.046 178.085 176.000 0.065 0.000 0.977 297 Q CA 1.252 57.120 55.803 0.108 0.000 0.850 297 Q CB -0.182 28.597 28.738 0.068 0.000 0.901 297 Q HN 0.437 nan 8.270 nan 0.000 0.429 298 N N 0.395 119.131 118.700 0.060 0.000 2.223 298 N HA -0.146 4.610 4.740 0.027 0.000 0.185 298 N C 1.134 176.653 175.510 0.014 0.000 1.016 298 N CA 0.878 53.947 53.050 0.032 0.000 0.863 298 N CB 0.186 38.693 38.487 0.033 0.000 0.983 298 N HN 0.241 nan 8.380 nan 0.000 0.429 299 E N -0.330 119.896 120.200 0.044 0.000 2.511 299 E HA 0.036 4.403 4.350 0.027 0.000 0.196 299 E C 1.020 177.474 176.600 -0.243 0.000 1.066 299 E CA 0.360 56.744 56.400 -0.027 0.000 0.871 299 E CB -0.041 29.741 29.700 0.135 0.000 0.863 299 E HN 0.472 nan 8.360 nan 0.000 0.520 300 G N 0.892 109.587 108.800 -0.175 0.000 2.159 300 G HA2 -0.238 3.738 3.960 0.027 0.000 0.227 300 G HA3 -0.238 3.738 3.960 0.027 0.000 0.227 300 G C -0.060 174.681 174.900 -0.265 0.000 0.986 300 G CA -0.344 44.617 45.100 -0.231 0.000 0.651 300 G HN 0.134 nan 8.290 nan 0.000 0.523 301 F N 1.722 121.676 119.950 0.007 0.000 2.389 301 F HA 0.573 5.117 4.527 0.028 0.000 0.337 301 F C 1.169 176.974 175.800 0.009 0.000 1.112 301 F CA 0.044 58.048 58.000 0.007 0.000 1.192 301 F CB 1.321 40.324 39.000 0.006 0.000 1.185 301 F HN -0.073 nan 8.300 nan 0.000 0.552 302 T N 4.790 119.476 114.554 0.221 0.000 2.799 302 T HA 0.565 4.931 4.350 0.027 0.000 0.286 302 T C -0.200 174.571 174.700 0.118 0.000 0.973 302 T CA -0.529 61.651 62.100 0.134 0.000 1.035 302 T CB 0.386 69.316 68.868 0.103 0.000 0.932 302 T HN 0.270 nan 8.240 nan 0.000 0.469 303 L N 2.865 124.141 121.223 0.088 0.000 2.329 303 L HA 0.515 4.872 4.340 0.027 0.000 0.279 303 L C 0.099 177.008 176.870 0.065 0.000 1.014 303 L CA -1.381 53.489 54.840 0.051 0.000 0.814 303 L CB 1.568 43.647 42.059 0.034 0.000 1.257 303 L HN 0.315 nan 8.230 nan 0.000 0.424 304 V N 2.768 122.690 119.914 0.014 0.000 2.557 304 V HA -0.054 4.082 4.120 0.027 0.000 0.301 304 V C 1.149 177.315 176.094 0.119 0.000 1.026 304 V CA 1.299 63.602 62.300 0.006 0.000 1.137 304 V CB 0.769 32.486 31.823 -0.176 0.000 0.917 304 V HN 1.175 nan 8.190 nan 0.000 0.484 305 S N 2.555 118.476 115.700 0.368 0.000 2.857 305 S HA -0.204 4.282 4.470 0.027 0.000 0.268 305 S C 1.354 175.998 174.600 0.074 0.000 1.297 305 S CA 1.153 59.460 58.200 0.178 0.000 1.280 305 S CB -1.897 61.337 63.200 0.058 0.000 1.562 305 S HN 2.812 nan 8.310 nan 0.000 0.661 306 G N -0.255 108.593 108.800 0.079 0.000 2.143 306 G HA2 0.331 4.307 3.960 0.027 0.000 0.249 306 G HA3 0.331 4.307 3.960 0.027 0.000 0.249 306 G C 0.954 175.866 174.900 0.021 0.000 0.981 306 G CA 0.612 45.737 45.100 0.042 0.000 0.665 306 G HN 2.624 nan 8.290 nan 0.000 0.528 307 G N -2.607 106.198 108.800 0.008 0.000 2.403 307 G HA2 0.646 4.622 3.960 0.027 0.000 0.223 307 G HA3 0.646 4.622 3.960 0.027 0.000 0.223 307 G C -0.561 174.317 174.900 -0.037 0.000 1.287 307 G CA 0.928 46.023 45.100 -0.009 0.000 0.982 307 G HN 1.824 nan 8.290 nan 0.000 0.471 308 T N -0.956 113.574 114.554 -0.040 0.000 2.932 308 T HA 0.566 4.932 4.350 0.027 0.000 0.318 308 T C -1.146 173.532 174.700 -0.038 0.000 1.265 308 T CA 0.086 62.151 62.100 -0.058 0.000 1.036 308 T CB 1.883 70.714 68.868 -0.062 0.000 1.209 308 T HN 0.301 nan 8.240 nan 0.000 0.484 309 D N 1.800 122.178 120.400 -0.037 0.000 2.407 309 D HA 0.191 4.847 4.640 0.027 0.000 0.208 309 D C 0.679 177.010 176.300 0.053 0.000 1.083 309 D CA 0.282 54.280 54.000 -0.004 0.000 0.844 309 D CB 0.527 41.317 40.800 -0.017 0.000 0.967 309 D HN 0.666 nan 8.370 nan 0.000 0.506 310 N N -0.735 118.003 118.700 0.063 0.000 3.492 310 N HA -0.016 4.740 4.740 0.027 0.000 0.352 310 N C 0.990 176.580 175.510 0.132 0.000 1.517 310 N CA -0.328 52.819 53.050 0.162 0.000 0.629 310 N CB -0.236 38.432 38.487 0.301 0.000 2.162 310 N HN -0.151 nan 8.380 nan 0.000 0.598 311 H N -0.986 118.106 119.070 0.036 0.000 2.551 311 H HA 0.312 4.884 4.556 0.027 0.000 0.266 311 H C 0.029 175.368 175.328 0.020 0.000 0.964 311 H CA -0.091 55.967 56.048 0.017 0.000 1.180 311 H CB -0.356 29.425 29.762 0.031 0.000 1.408 311 H HN 0.509 nan 8.280 nan 0.000 0.563 312 L N 0.101 121.024 121.223 -0.501 0.000 2.333 312 L HA 0.669 5.025 4.340 0.027 0.000 0.263 312 L C -1.105 175.632 176.870 -0.222 0.000 1.014 312 L CA -1.596 52.992 54.840 -0.420 0.000 0.820 312 L CB 2.244 43.937 42.059 -0.610 0.000 1.352 312 L HN 0.035 nan 8.230 nan 0.000 0.421 313 L N 0.342 121.469 121.223 -0.161 0.000 2.376 313 L HA 0.778 5.134 4.340 0.027 0.000 0.258 313 L C -1.500 175.304 176.870 -0.109 0.000 1.013 313 L CA -0.826 53.944 54.840 -0.117 0.000 0.822 313 L CB 2.039 44.048 42.059 -0.083 0.000 1.388 313 L HN 0.746 nan 8.230 nan 0.000 0.413 314 L N 2.292 123.459 121.223 -0.094 0.000 2.372 314 L HA 0.635 4.991 4.340 0.027 0.000 0.274 314 L C -1.003 175.822 176.870 -0.075 0.000 0.988 314 L CA -0.891 53.895 54.840 -0.090 0.000 0.833 314 L CB 2.098 44.101 42.059 -0.094 0.000 1.236 314 L HN 0.580 nan 8.230 nan 0.000 0.410 315 V N 2.745 122.609 119.914 -0.084 0.000 2.461 315 V HA 0.119 4.255 4.120 0.027 0.000 0.275 315 V C -0.026 176.049 176.094 -0.032 0.000 1.047 315 V CA -0.483 61.777 62.300 -0.066 0.000 0.955 315 V CB 1.414 33.145 31.823 -0.154 0.000 0.988 315 V HN 0.605 nan 8.190 nan 0.000 0.471 316 D N 4.559 124.964 120.400 0.009 0.000 2.365 316 D HA 0.224 4.881 4.640 0.027 0.000 0.237 316 D C 0.588 176.929 176.300 0.068 0.000 1.190 316 D CA -0.068 53.944 54.000 0.020 0.000 0.867 316 D CB 1.122 41.938 40.800 0.027 0.000 1.050 316 D HN 0.446 nan 8.370 nan 0.000 0.491 317 L N 3.580 124.837 121.223 0.057 0.000 2.591 317 L HA 0.191 4.547 4.340 0.027 0.000 0.228 317 L C 2.345 179.263 176.870 0.079 0.000 1.133 317 L CA -0.131 54.764 54.840 0.092 0.000 0.880 317 L CB -0.022 42.079 42.059 0.069 0.000 1.033 317 L HN 0.284 nan 8.230 nan 0.000 0.450 318 R N 0.654 121.190 120.500 0.059 0.000 2.103 318 R HA -0.176 4.180 4.340 0.027 0.000 0.242 318 R C -0.383 175.945 176.300 0.046 0.000 1.142 318 R CA 1.605 57.734 56.100 0.049 0.000 0.960 318 R CB -1.502 28.824 30.300 0.044 0.000 0.858 318 R HN 0.314 nan 8.270 nan 0.000 0.439 319 P HA -0.138 nan 4.420 nan 0.000 0.218 319 P C 0.583 177.897 177.300 0.025 0.000 1.148 319 P CA 1.293 64.413 63.100 0.033 0.000 0.822 319 P CB 0.122 31.841 31.700 0.031 0.000 0.784 320 Q N -1.240 118.588 119.800 0.046 0.000 2.360 320 Q HA 0.086 4.442 4.340 0.027 0.000 0.202 320 Q C 0.239 176.264 176.000 0.042 0.000 0.915 320 Q CA 0.184 56.012 55.803 0.042 0.000 0.943 320 Q CB -0.466 28.325 28.738 0.088 0.000 1.064 320 Q HN 0.061 nan 8.270 nan 0.000 0.511 321 Q N -0.445 119.378 119.800 0.040 0.000 2.453 321 Q HA -0.214 4.142 4.340 0.027 0.000 0.294 321 Q C -0.927 175.097 176.000 0.039 0.000 1.295 321 Q CA 0.883 56.706 55.803 0.035 0.000 0.853 321 Q CB -2.167 26.587 28.738 0.025 0.000 1.193 321 Q HN 0.410 nan 8.270 nan 0.000 0.461 322 L N -0.214 121.039 121.223 0.049 0.000 2.333 322 L HA 0.566 4.922 4.340 0.027 0.000 0.269 322 L C 0.993 177.888 176.870 0.041 0.000 1.010 322 L CA -0.707 54.162 54.840 0.048 0.000 0.818 322 L CB 1.878 43.975 42.059 0.063 0.000 1.306 322 L HN 0.127 nan 8.230 nan 0.000 0.430 323 T N -2.090 112.485 114.554 0.034 0.000 2.918 323 T HA 0.292 4.658 4.350 0.027 0.000 0.283 323 T C 1.203 175.916 174.700 0.022 0.000 1.001 323 T CA -0.107 62.010 62.100 0.029 0.000 1.041 323 T CB 1.672 70.558 68.868 0.030 0.000 1.028 323 T HN 0.699 nan 8.240 nan 0.000 0.511 324 G N 0.349 109.156 108.800 0.012 0.000 2.442 324 G HA2 -0.214 3.762 3.960 0.027 0.000 0.219 324 G HA3 -0.214 3.762 3.960 0.027 0.000 0.219 324 G C 1.361 176.265 174.900 0.006 0.000 1.141 324 G CA 0.920 46.020 45.100 0.000 0.000 0.763 324 G HN 0.849 nan 8.290 nan 0.000 0.554 325 K N -0.196 120.215 120.400 0.017 0.000 2.032 325 K HA -0.110 4.226 4.320 0.027 0.000 0.209 325 K C 2.585 179.199 176.600 0.022 0.000 1.048 325 K CA 1.776 58.077 56.287 0.024 0.000 0.927 325 K CB -0.333 32.189 32.500 0.037 0.000 0.712 325 K HN 0.273 nan 8.250 nan 0.000 0.441 326 T N 0.730 115.299 114.554 0.024 0.000 2.746 326 T HA -0.122 4.244 4.350 0.027 0.000 0.267 326 T C 1.851 176.564 174.700 0.023 0.000 1.039 326 T CA 1.330 63.444 62.100 0.025 0.000 1.142 326 T CB -0.305 68.581 68.868 0.029 0.000 0.866 326 T HN 0.424 nan 8.240 nan 0.000 0.444 327 A N 1.367 124.199 122.820 0.020 0.000 1.877 327 A HA -0.151 4.185 4.320 0.027 0.000 0.216 327 A C 2.230 179.815 177.584 0.003 0.000 1.186 327 A CA 1.904 53.948 52.037 0.012 0.000 0.620 327 A CB -0.680 18.320 19.000 -0.001 0.000 0.822 327 A HN 0.593 nan 8.150 nan 0.000 0.443 328 E N -0.179 120.021 120.200 0.000 0.000 2.085 328 E HA -0.269 4.097 4.350 0.027 0.000 0.194 328 E C 2.108 178.713 176.600 0.008 0.000 0.994 328 E CA 1.658 58.059 56.400 0.000 0.000 0.801 328 E CB -0.141 29.559 29.700 0.001 0.000 0.743 328 E HN 0.638 nan 8.360 nan 0.000 0.453 329 K N 0.250 120.658 120.400 0.014 0.000 2.002 329 K HA -0.131 4.205 4.320 0.027 0.000 0.209 329 K C 2.149 178.759 176.600 0.017 0.000 1.048 329 K CA 1.401 57.699 56.287 0.017 0.000 0.930 329 K CB -0.235 32.277 32.500 0.019 0.000 0.714 329 K HN 0.112 nan 8.250 nan 0.000 0.438 330 V N 1.355 121.280 119.914 0.019 0.000 2.515 330 V HA -0.154 3.982 4.120 0.027 0.000 0.250 330 V C 2.035 178.141 176.094 0.021 0.000 1.058 330 V CA 1.353 63.666 62.300 0.022 0.000 1.064 330 V CB -0.160 31.679 31.823 0.027 0.000 0.675 330 V HN 0.338 nan 8.190 nan 0.000 0.461 331 L N 0.092 121.324 121.223 0.016 0.000 2.141 331 L HA -0.138 4.218 4.340 0.027 0.000 0.209 331 L C 2.319 179.198 176.870 0.016 0.000 1.094 331 L CA 2.046 56.894 54.840 0.013 0.000 0.763 331 L CB -0.626 41.434 42.059 0.001 0.000 0.908 331 L HN 0.451 nan 8.230 nan 0.000 0.437 332 D N 0.268 120.676 120.400 0.015 0.000 2.149 332 D HA -0.234 4.422 4.640 0.027 0.000 0.198 332 D C 1.967 178.278 176.300 0.019 0.000 0.990 332 D CA 1.235 55.245 54.000 0.017 0.000 0.839 332 D CB 0.130 40.939 40.800 0.016 0.000 0.948 332 D HN 0.307 nan 8.370 nan 0.000 0.460 333 E N -0.581 119.631 120.200 0.019 0.000 2.265 333 E HA -0.120 4.246 4.350 0.027 0.000 0.196 333 E C 1.992 178.605 176.600 0.022 0.000 0.996 333 E CA 1.160 57.572 56.400 0.020 0.000 0.832 333 E CB 0.183 29.895 29.700 0.020 0.000 0.756 333 E HN 0.465 nan 8.360 nan 0.000 0.491 334 V N -4.038 115.890 119.914 0.024 0.000 3.578 334 V HA 0.459 4.595 4.120 0.027 0.000 0.290 334 V C 1.109 177.221 176.094 0.031 0.000 1.376 334 V CA 0.445 62.762 62.300 0.027 0.000 1.083 334 V CB 0.452 32.293 31.823 0.030 0.000 0.911 334 V HN 0.220 nan 8.190 nan 0.000 0.433 335 G N 0.904 109.721 108.800 0.029 0.000 2.138 335 G HA2 -0.166 3.810 3.960 0.027 0.000 0.193 335 G HA3 -0.166 3.810 3.960 0.027 0.000 0.193 335 G C -0.236 174.685 174.900 0.035 0.000 0.998 335 G CA 0.091 45.211 45.100 0.033 0.000 0.668 335 G HN 0.579 nan 8.290 nan 0.000 0.516 336 I N 1.984 122.571 120.570 0.030 0.000 2.339 336 I HA 0.382 4.568 4.170 0.027 0.000 0.290 336 I C 0.055 176.181 176.117 0.015 0.000 0.994 336 I CA -0.600 60.715 61.300 0.026 0.000 1.191 336 I CB 1.862 39.876 38.000 0.023 0.000 1.343 336 I HN 0.018 nan 8.210 nan 0.000 0.458 337 T N 6.484 121.046 114.554 0.014 0.000 2.753 337 T HA 0.484 4.850 4.350 0.027 0.000 0.297 337 T C 0.045 174.743 174.700 -0.002 0.000 0.981 337 T CA -0.547 61.558 62.100 0.008 0.000 0.956 337 T CB 0.824 69.700 68.868 0.013 0.000 0.936 337 T HN 0.429 nan 8.240 nan 0.000 0.463 338 V N 1.090 121.000 119.914 -0.008 0.000 3.164 338 V HA 0.776 4.912 4.120 0.027 0.000 0.313 338 V C -0.845 175.242 176.094 -0.012 0.000 1.188 338 V CA -1.419 60.871 62.300 -0.017 0.000 1.058 338 V CB 2.299 34.101 31.823 -0.034 0.000 1.110 338 V HN 0.863 nan 8.190 nan 0.000 0.453 339 N N 0.089 118.779 118.700 -0.015 0.000 2.269 339 N HA 0.358 5.114 4.740 0.027 0.000 0.304 339 N C -0.848 174.647 175.510 -0.024 0.000 1.072 339 N CA -0.849 52.193 53.050 -0.014 0.000 0.802 339 N CB 2.634 41.118 38.487 -0.005 0.000 1.348 339 N HN 0.964 nan 8.380 nan 0.000 0.484 340 K N 1.106 121.493 120.400 -0.022 0.000 2.469 340 K HA 0.068 4.404 4.320 0.027 0.000 0.274 340 K C -0.936 175.639 176.600 -0.042 0.000 0.983 340 K CA -0.021 56.250 56.287 -0.028 0.000 0.974 340 K CB 0.320 32.810 32.500 -0.017 0.000 0.913 340 K HN 0.716 nan 8.250 nan 0.000 0.493 341 N N 0.515 119.186 118.700 -0.048 0.000 2.452 341 N HA 0.053 4.809 4.740 0.027 0.000 0.277 341 N C -1.692 173.782 175.510 -0.061 0.000 1.078 341 N CA -0.468 52.546 53.050 -0.060 0.000 0.947 341 N CB 2.226 40.679 38.487 -0.057 0.000 1.655 341 N HN 0.738 nan 8.380 nan 0.000 0.490 342 T N 2.473 116.985 114.554 -0.070 0.000 2.946 342 T HA 0.285 4.651 4.350 0.027 0.000 0.311 342 T C 0.346 175.006 174.700 -0.068 0.000 1.063 342 T CA -0.133 61.930 62.100 -0.063 0.000 1.139 342 T CB -0.165 68.662 68.868 -0.068 0.000 0.994 342 T HN 0.385 nan 8.240 nan 0.000 0.547 343 I N 2.734 123.262 120.570 -0.071 0.000 2.676 343 I HA 0.642 4.828 4.170 0.027 0.000 0.309 343 I C -2.677 173.358 176.117 -0.137 0.000 0.990 343 I CA -3.421 57.811 61.300 -0.115 0.000 1.168 343 I CB 1.372 39.302 38.000 -0.117 0.000 1.343 343 I HN 0.357 nan 8.210 nan 0.000 0.482 344 P HA 0.009 nan 4.420 nan 0.000 0.262 344 P C -1.258 175.969 177.300 -0.123 0.000 1.182 344 P CA 0.731 63.585 63.100 -0.409 0.000 0.761 344 P CB -0.214 31.257 31.700 -0.382 0.000 0.795 345 Y N -0.428 119.796 120.300 -0.128 0.000 3.689 345 Y HA -0.261 4.305 4.550 0.027 0.000 0.221 345 Y C 0.815 176.718 175.900 0.006 0.000 1.247 345 Y CA 0.310 58.413 58.100 0.005 0.000 1.671 345 Y CB -2.395 36.071 38.460 0.011 0.000 1.521 345 Y HN 0.399 nan 8.280 nan 0.000 0.632 346 D N 2.078 122.515 120.400 0.060 0.000 2.450 346 D HA 0.033 4.689 4.640 0.027 0.000 0.247 346 D C -0.769 175.567 176.300 0.060 0.000 1.162 346 D CA -0.935 53.091 54.000 0.043 0.000 0.879 346 D CB 1.119 41.922 40.800 0.005 0.000 1.163 346 D HN 0.171 nan 8.370 nan 0.000 0.472 347 P HA 0.002 nan 4.420 nan 0.000 0.233 347 P C -0.006 177.321 177.300 0.046 0.000 1.167 347 P CA 0.521 63.655 63.100 0.056 0.000 0.770 347 P CB 0.639 32.370 31.700 0.051 0.000 0.837 348 E N 0.493 120.716 120.200 0.040 0.000 2.250 348 E HA 0.240 4.606 4.350 0.027 0.000 0.269 348 E C 0.396 177.023 176.600 0.045 0.000 1.018 348 E CA -0.454 55.971 56.400 0.042 0.000 0.873 348 E CB 1.365 31.088 29.700 0.037 0.000 1.134 348 E HN 0.054 nan 8.360 nan 0.000 0.403 349 S N 1.344 117.085 115.700 0.068 0.000 2.576 349 S HA 0.088 4.574 4.470 0.027 0.000 0.272 349 S C -1.598 173.040 174.600 0.063 0.000 1.352 349 S CA -0.897 57.363 58.200 0.100 0.000 1.021 349 S CB 0.652 63.963 63.200 0.184 0.000 0.887 349 S HN 0.265 nan 8.310 nan 0.000 0.542 350 P HA 0.012 nan 4.420 nan 0.000 0.234 350 P C 0.526 177.651 177.300 -0.290 0.000 1.167 350 P CA 0.891 63.879 63.100 -0.186 0.000 0.763 350 P CB -0.227 31.284 31.700 -0.316 0.000 0.835 351 F N -1.455 118.486 119.950 -0.015 0.000 2.754 351 F HA 0.031 4.574 4.527 0.027 0.000 0.297 351 F C 2.142 177.938 175.800 -0.007 0.000 1.122 351 F CA 0.411 58.405 58.000 -0.011 0.000 1.400 351 F CB -0.209 38.785 39.000 -0.011 0.000 1.117 351 F HN -0.261 nan 8.300 nan 0.000 0.587 352 V N -1.832 118.166 119.914 0.140 0.000 2.870 352 V HA 0.148 4.284 4.120 0.027 0.000 0.232 352 V C 0.642 176.759 176.094 0.037 0.000 1.161 352 V CA 0.888 63.238 62.300 0.082 0.000 1.204 352 V CB -0.158 31.711 31.823 0.077 0.000 1.003 352 V HN 0.379 nan 8.190 nan 0.000 0.499 353 T N -0.774 113.795 114.554 0.024 0.000 0.541 353 T HA -0.225 4.141 4.350 0.027 0.000 0.774 353 T C 0.139 174.844 174.700 0.008 0.000 0.992 353 T CA 0.370 62.470 62.100 0.000 0.000 4.077 353 T CB -1.438 67.415 68.868 -0.024 0.000 2.303 353 T HN 0.358 nan 8.240 nan 0.000 0.398 354 S N 1.113 116.813 115.700 0.000 0.000 2.602 354 S HA 0.592 5.078 4.470 0.027 0.000 0.240 354 S C 0.715 175.313 174.600 -0.003 0.000 0.992 354 S CA -0.050 58.154 58.200 0.007 0.000 0.971 354 S CB 0.639 63.848 63.200 0.014 0.000 0.855 354 S HN 1.249 nan 8.310 nan 0.000 0.481 355 G N 1.576 110.364 108.800 -0.019 0.000 2.690 355 G HA2 0.706 4.682 3.960 0.027 0.000 0.291 355 G HA3 0.706 4.682 3.960 0.027 0.000 0.291 355 G C -1.245 173.629 174.900 -0.043 0.000 1.403 355 G CA -0.886 44.194 45.100 -0.034 0.000 0.864 355 G HN 0.307 nan 8.290 nan 0.000 0.480 356 I N -1.717 118.817 120.570 -0.060 0.000 2.509 356 I HA 0.737 4.923 4.170 0.027 0.000 0.293 356 I C -0.287 175.785 176.117 -0.076 0.000 1.020 356 I CA -1.193 60.067 61.300 -0.066 0.000 1.088 356 I CB 2.418 40.371 38.000 -0.078 0.000 1.267 356 I HN 0.429 nan 8.210 nan 0.000 0.430 357 R N 5.853 126.315 120.500 -0.064 0.000 2.312 357 R HA 0.750 5.106 4.340 0.027 0.000 0.311 357 R C -1.497 174.767 176.300 -0.061 0.000 1.004 357 R CA -0.504 55.556 56.100 -0.067 0.000 0.902 357 R CB 1.219 31.486 30.300 -0.056 0.000 1.073 357 R HN 0.806 nan 8.270 nan 0.000 0.457 358 I N 2.613 123.138 120.570 -0.074 0.000 2.582 358 I HA 0.458 4.644 4.170 0.027 0.000 0.292 358 I C 0.047 176.124 176.117 -0.066 0.000 1.066 358 I CA -0.753 60.510 61.300 -0.061 0.000 1.053 358 I CB 2.468 40.425 38.000 -0.072 0.000 1.241 358 I HN 0.765 nan 8.210 nan 0.000 0.421 359 G N 1.295 110.078 108.800 -0.029 0.000 2.574 359 G HA2 0.514 4.490 3.960 0.027 0.000 0.299 359 G HA3 0.514 4.490 3.960 0.027 0.000 0.299 359 G C 0.118 175.033 174.900 0.026 0.000 1.298 359 G CA -0.258 44.838 45.100 -0.006 0.000 0.952 359 G HN 0.588 nan 8.290 nan 0.000 0.477 360 T N -2.351 112.235 114.554 0.053 0.000 3.054 360 T HA 0.371 4.737 4.350 0.027 0.000 0.255 360 T C 2.155 176.887 174.700 0.053 0.000 1.035 360 T CA 1.220 63.346 62.100 0.044 0.000 0.941 360 T CB 0.623 69.513 68.868 0.036 0.000 1.026 360 T HN 0.723 nan 8.240 nan 0.000 0.533 361 A N 2.034 124.905 122.820 0.085 0.000 1.883 361 A HA 0.223 4.559 4.320 0.027 0.000 0.217 361 A C 2.717 180.380 177.584 0.132 0.000 1.186 361 A CA 1.956 54.057 52.037 0.106 0.000 0.624 361 A CB -1.408 17.657 19.000 0.109 0.000 0.822 361 A HN 0.741 nan 8.150 nan 0.000 0.444 362 A N -0.161 122.661 122.820 0.003 0.000 1.855 362 A HA 0.002 4.338 4.320 0.027 0.000 0.215 362 A C 2.351 179.992 177.584 0.096 0.000 1.191 362 A CA 2.418 54.399 52.037 -0.093 0.000 0.613 362 A CB -1.370 17.413 19.000 -0.360 0.000 0.829 362 A HN 1.166 nan 8.150 nan 0.000 0.442 363 V N -2.325 117.566 119.914 -0.037 0.000 2.490 363 V HA -0.187 3.950 4.120 0.027 0.000 0.250 363 V C 2.167 178.212 176.094 -0.082 0.000 1.061 363 V CA 2.677 64.808 62.300 -0.283 0.000 1.064 363 V CB -1.938 29.649 31.823 -0.393 0.000 0.670 363 V HN 0.434 nan 8.190 nan 0.000 0.461 364 T N 0.474 115.090 114.554 0.103 0.000 2.746 364 T HA -0.157 4.209 4.350 0.027 0.000 0.267 364 T C 1.959 176.851 174.700 0.320 0.000 1.039 364 T CA 2.230 64.457 62.100 0.212 0.000 1.142 364 T CB -0.656 68.291 68.868 0.133 0.000 0.866 364 T HN 0.643 nan 8.240 nan 0.000 0.444 365 T N 1.777 116.547 114.554 0.360 0.000 2.720 365 T HA -0.085 4.281 4.350 0.027 0.000 0.268 365 T C 1.953 176.730 174.700 0.128 0.000 1.037 365 T CA 0.949 63.160 62.100 0.184 0.000 1.144 365 T CB -0.168 68.795 68.868 0.159 0.000 0.864 365 T HN 0.284 nan 8.240 nan 0.000 0.444 366 R N 0.212 120.779 120.500 0.111 0.000 2.339 366 R HA 0.101 4.457 4.340 0.027 0.000 0.199 366 R C 1.675 178.061 176.300 0.143 0.000 1.018 366 R CA 0.656 56.769 56.100 0.021 0.000 1.036 366 R CB -0.029 30.175 30.300 -0.161 0.000 0.899 366 R HN 0.563 nan 8.270 nan 0.000 0.473 367 G N 0.181 109.105 108.800 0.206 0.000 2.163 367 G HA2 -0.243 3.734 3.960 0.027 0.000 0.213 367 G HA3 -0.243 3.734 3.960 0.027 0.000 0.213 367 G C 0.161 175.262 174.900 0.336 0.000 0.991 367 G CA -0.610 44.631 45.100 0.235 0.000 0.653 367 G HN 0.258 nan 8.290 nan 0.000 0.518 368 F N 1.058 121.043 119.950 0.058 0.000 2.518 368 F HA 0.439 4.983 4.527 0.029 0.000 0.359 368 F C 1.487 177.311 175.800 0.040 0.000 1.118 368 F CA 0.365 58.391 58.000 0.043 0.000 1.287 368 F CB 1.019 40.047 39.000 0.046 0.000 1.132 368 F HN 0.230 nan 8.300 nan 0.000 0.587 369 G N 2.145 111.028 108.800 0.139 0.000 3.262 369 G HA2 0.407 4.383 3.960 0.027 0.000 0.229 369 G HA3 0.407 4.383 3.960 0.027 0.000 0.229 369 G C 0.458 175.388 174.900 0.050 0.000 1.280 369 G CA -0.815 44.334 45.100 0.082 0.000 0.951 369 G HN 0.565 nan 8.290 nan 0.000 0.589 370 L N 0.003 121.243 121.223 0.028 0.000 2.083 370 L HA -0.041 4.316 4.340 0.027 0.000 0.209 370 L C 2.767 179.641 176.870 0.006 0.000 1.083 370 L CA 1.056 55.908 54.840 0.020 0.000 0.752 370 L CB -0.270 41.798 42.059 0.014 0.000 0.899 370 L HN 0.390 nan 8.230 nan 0.000 0.433 371 E N 0.426 120.618 120.200 -0.015 0.000 2.072 371 E HA -0.204 4.162 4.350 0.027 0.000 0.191 371 E C 2.100 178.667 176.600 -0.056 0.000 0.985 371 E CA 1.142 57.523 56.400 -0.033 0.000 0.801 371 E CB -0.112 29.561 29.700 -0.045 0.000 0.750 371 E HN 0.484 nan 8.360 nan 0.000 0.452 372 E N 0.207 120.351 120.200 -0.095 0.000 2.110 372 E HA -0.107 4.259 4.350 0.027 0.000 0.193 372 E C 1.965 178.560 176.600 -0.009 0.000 0.988 372 E CA 0.791 57.097 56.400 -0.156 0.000 0.804 372 E CB -0.130 29.327 29.700 -0.405 0.000 0.745 372 E HN 0.133 nan 8.360 nan 0.000 0.458 373 M N 0.743 120.368 119.600 0.043 0.000 2.086 373 M HA -0.144 4.352 4.480 0.027 0.000 0.261 373 M C 1.389 177.715 176.300 0.042 0.000 1.067 373 M CA 1.405 56.745 55.300 0.066 0.000 1.116 373 M CB -0.934 31.701 32.600 0.059 0.000 1.348 373 M HN 0.039 nan 8.290 nan 0.000 0.407 374 D N 0.200 120.614 120.400 0.024 0.000 2.123 374 D HA -0.191 4.465 4.640 0.027 0.000 0.196 374 D C 2.006 178.321 176.300 0.024 0.000 0.992 374 D CA 1.431 55.445 54.000 0.023 0.000 0.833 374 D CB -0.212 40.595 40.800 0.011 0.000 0.954 374 D HN 0.375 nan 8.370 nan 0.000 0.455 375 E N 0.480 120.685 120.200 0.008 0.000 2.072 375 E HA -0.079 4.287 4.350 0.027 0.000 0.191 375 E C 2.135 178.754 176.600 0.031 0.000 0.985 375 E CA 0.648 57.052 56.400 0.007 0.000 0.801 375 E CB -0.366 29.317 29.700 -0.028 0.000 0.750 375 E HN 0.288 nan 8.360 nan 0.000 0.452 376 I N 0.522 121.120 120.570 0.048 0.000 2.163 376 I HA -0.300 3.886 4.170 0.027 0.000 0.243 376 I C 2.390 178.539 176.117 0.053 0.000 1.085 376 I CA 1.211 62.552 61.300 0.068 0.000 1.347 376 I CB -0.440 37.621 38.000 0.103 0.000 1.044 376 I HN 0.212 nan 8.210 nan 0.000 0.408 377 A N 0.654 123.506 122.820 0.054 0.000 1.902 377 A HA -0.189 4.148 4.320 0.027 0.000 0.217 377 A C 2.536 180.185 177.584 0.108 0.000 1.181 377 A CA 1.953 54.032 52.037 0.070 0.000 0.623 377 A CB -0.879 18.167 19.000 0.078 0.000 0.818 377 A HN 0.445 nan 8.150 nan 0.000 0.443 378 A N -0.145 122.724 122.820 0.081 0.000 1.902 378 A HA -0.069 4.268 4.320 0.027 0.000 0.217 378 A C 2.110 179.742 177.584 0.081 0.000 1.181 378 A CA 1.529 53.613 52.037 0.078 0.000 0.623 378 A CB -0.604 18.424 19.000 0.047 0.000 0.818 378 A HN 0.498 nan 8.150 nan 0.000 0.443 379 I N -0.292 120.317 120.570 0.066 0.000 2.179 379 I HA -0.257 3.929 4.170 0.027 0.000 0.242 379 I C 2.276 178.439 176.117 0.076 0.000 1.088 379 I CA 1.302 62.639 61.300 0.061 0.000 1.357 379 I CB -0.327 37.703 38.000 0.050 0.000 1.051 379 I HN 0.295 nan 8.210 nan 0.000 0.409 380 I N 0.676 121.290 120.570 0.074 0.000 2.208 380 I HA -0.239 3.947 4.170 0.027 0.000 0.245 380 I C 2.697 178.942 176.117 0.213 0.000 1.097 380 I CA 1.658 62.995 61.300 0.062 0.000 1.363 380 I CB -0.995 36.966 38.000 -0.066 0.000 1.051 380 I HN 0.292 nan 8.210 nan 0.000 0.413 381 G N 1.194 110.191 108.800 0.327 0.000 2.459 381 G HA2 -0.298 3.678 3.960 0.027 0.000 0.217 381 G HA3 -0.298 3.678 3.960 0.027 0.000 0.217 381 G C 1.655 176.659 174.900 0.174 0.000 1.183 381 G CA 0.937 46.250 45.100 0.354 0.000 0.776 381 G HN 0.283 nan 8.290 nan 0.000 0.552 382 L N 0.688 121.980 121.223 0.115 0.000 2.012 382 L HA -0.079 4.277 4.340 0.027 0.000 0.210 382 L C 2.936 179.852 176.870 0.075 0.000 1.073 382 L CA 1.692 56.575 54.840 0.073 0.000 0.748 382 L CB -0.570 41.522 42.059 0.055 0.000 0.891 382 L HN 0.102 nan 8.230 nan 0.000 0.431 383 V N -0.376 119.590 119.914 0.087 0.000 2.270 383 V HA -0.284 3.852 4.120 0.027 0.000 0.245 383 V C 2.476 178.624 176.094 0.091 0.000 1.043 383 V CA 2.087 64.432 62.300 0.074 0.000 1.014 383 V CB -0.557 31.303 31.823 0.061 0.000 0.645 383 V HN 0.443 nan 8.190 nan 0.000 0.447 384 L N -0.667 120.643 121.223 0.146 0.000 2.291 384 L HA -0.080 4.277 4.340 0.027 0.000 0.214 384 L C 2.292 179.243 176.870 0.134 0.000 1.120 384 L CA 1.225 56.168 54.840 0.171 0.000 0.799 384 L CB -0.482 41.755 42.059 0.296 0.000 0.925 384 L HN 0.300 nan 8.230 nan 0.000 0.446 385 K N 0.249 120.710 120.400 0.102 0.000 2.426 385 K HA 0.037 4.373 4.320 0.027 0.000 0.193 385 K C -0.035 176.583 176.600 0.029 0.000 1.028 385 K CA 0.383 56.690 56.287 0.034 0.000 1.047 385 K CB 0.172 32.667 32.500 -0.009 0.000 0.821 385 K HN 0.311 nan 8.250 nan 0.000 0.513 386 N N -0.187 118.537 118.700 0.041 0.000 2.646 386 N HA 0.045 4.801 4.740 0.027 0.000 0.303 386 N C 0.189 175.719 175.510 0.033 0.000 1.921 386 N CA -0.097 52.971 53.050 0.031 0.000 0.872 386 N CB 1.419 39.922 38.487 0.027 0.000 1.327 386 N HN -0.208 nan 8.380 nan 0.000 0.492 387 V N -0.535 119.401 119.914 0.036 0.000 2.720 387 V HA -0.087 4.049 4.120 0.027 0.000 0.256 387 V C 2.022 178.132 176.094 0.026 0.000 1.082 387 V CA 2.103 64.424 62.300 0.035 0.000 1.101 387 V CB -0.359 31.487 31.823 0.037 0.000 0.693 387 V HN 0.613 nan 8.190 nan 0.000 0.479 388 G N -1.115 107.698 108.800 0.023 0.000 3.189 388 G HA2 0.070 4.046 3.960 0.027 0.000 0.225 388 G HA3 0.070 4.046 3.960 0.027 0.000 0.225 388 G C 0.588 175.497 174.900 0.016 0.000 1.159 388 G CA 0.597 45.708 45.100 0.018 0.000 0.763 388 G HN 0.429 nan 8.290 nan 0.000 0.549 389 S N 0.428 116.139 115.700 0.018 0.000 2.461 389 S HA 0.317 4.803 4.470 0.027 0.000 0.322 389 S C 1.045 175.655 174.600 0.017 0.000 1.063 389 S CA -0.559 57.651 58.200 0.016 0.000 1.120 389 S CB 0.884 64.094 63.200 0.016 0.000 0.968 389 S HN 0.148 nan 8.310 nan 0.000 0.467 390 E N 3.551 123.761 120.200 0.015 0.000 2.204 390 E HA -0.144 4.222 4.350 0.027 0.000 0.195 390 E C 1.674 178.283 176.600 0.015 0.000 0.990 390 E CA 1.143 57.552 56.400 0.015 0.000 0.821 390 E CB 0.002 29.710 29.700 0.013 0.000 0.750 390 E HN 0.787 nan 8.360 nan 0.000 0.477 391 Q N 0.113 119.921 119.800 0.014 0.000 2.050 391 Q HA -0.101 4.255 4.340 0.027 0.000 0.202 391 Q C 2.192 178.201 176.000 0.016 0.000 0.980 391 Q CA 1.543 57.354 55.803 0.014 0.000 0.840 391 Q CB -0.174 28.571 28.738 0.012 0.000 0.898 391 Q HN 0.247 nan 8.270 nan 0.000 0.424 392 A N 0.858 123.689 122.820 0.018 0.000 1.902 392 A HA -0.150 4.187 4.320 0.027 0.000 0.217 392 A C 2.056 179.654 177.584 0.024 0.000 1.181 392 A CA 1.074 53.124 52.037 0.021 0.000 0.623 392 A CB -0.653 18.361 19.000 0.023 0.000 0.818 392 A HN 0.285 nan 8.150 nan 0.000 0.443 393 L N -0.940 120.297 121.223 0.024 0.000 2.093 393 L HA -0.165 4.191 4.340 0.027 0.000 0.208 393 L C 2.613 179.497 176.870 0.023 0.000 1.085 393 L CA 1.682 56.538 54.840 0.025 0.000 0.755 393 L CB -0.515 41.559 42.059 0.024 0.000 0.904 393 L HN 0.464 nan 8.230 nan 0.000 0.435 394 E N 0.798 121.010 120.200 0.020 0.000 2.106 394 E HA -0.250 4.116 4.350 0.027 0.000 0.192 394 E C 2.020 178.632 176.600 0.019 0.000 0.984 394 E CA 1.324 57.735 56.400 0.019 0.000 0.806 394 E CB 0.012 29.722 29.700 0.016 0.000 0.750 394 E HN 0.409 nan 8.360 nan 0.000 0.458 395 E N -0.332 119.880 120.200 0.019 0.000 2.051 395 E HA -0.219 4.147 4.350 0.027 0.000 0.192 395 E C 1.943 178.556 176.600 0.022 0.000 0.991 395 E CA 1.136 57.547 56.400 0.019 0.000 0.799 395 E CB -0.259 29.451 29.700 0.018 0.000 0.748 395 E HN 0.324 nan 8.360 nan 0.000 0.449 396 A N 1.531 124.367 122.820 0.026 0.000 1.883 396 A HA -0.234 4.102 4.320 0.027 0.000 0.217 396 A C 2.223 179.825 177.584 0.030 0.000 1.186 396 A CA 1.743 53.798 52.037 0.031 0.000 0.624 396 A CB -0.669 18.352 19.000 0.035 0.000 0.822 396 A HN 0.256 nan 8.150 nan 0.000 0.444 397 R N -0.550 119.967 120.500 0.028 0.000 2.096 397 R HA -0.225 4.131 4.340 0.027 0.000 0.240 397 R C 2.438 178.754 176.300 0.027 0.000 1.139 397 R CA 2.147 58.264 56.100 0.028 0.000 0.952 397 R CB -0.306 30.008 30.300 0.024 0.000 0.854 397 R HN 0.727 nan 8.270 nan 0.000 0.436 398 Q N -0.654 119.160 119.800 0.023 0.000 2.119 398 Q HA -0.134 4.222 4.340 0.027 0.000 0.201 398 Q C 2.205 178.217 176.000 0.020 0.000 0.972 398 Q CA 1.441 57.257 55.803 0.021 0.000 0.847 398 Q CB 0.028 28.776 28.738 0.017 0.000 0.903 398 Q HN 0.326 nan 8.270 nan 0.000 0.433 399 R N -0.216 120.297 120.500 0.021 0.000 2.115 399 R HA -0.073 4.283 4.340 0.027 0.000 0.230 399 R C 2.276 178.591 176.300 0.024 0.000 1.111 399 R CA 0.901 57.011 56.100 0.017 0.000 0.976 399 R CB -0.160 30.150 30.300 0.018 0.000 0.870 399 R HN 0.073 nan 8.270 nan 0.000 0.445 400 V N 0.980 120.916 119.914 0.036 0.000 2.295 400 V HA -0.244 3.892 4.120 0.027 0.000 0.246 400 V C 2.425 178.551 176.094 0.053 0.000 1.049 400 V CA 2.017 64.349 62.300 0.053 0.000 1.024 400 V CB -0.718 31.137 31.823 0.053 0.000 0.648 400 V HN 0.405 nan 8.190 nan 0.000 0.447 401 A N -0.002 122.843 122.820 0.041 0.000 1.940 401 A HA -0.181 4.155 4.320 0.027 0.000 0.219 401 A C 2.388 179.993 177.584 0.034 0.000 1.176 401 A CA 2.235 54.296 52.037 0.041 0.000 0.631 401 A CB -0.753 18.269 19.000 0.035 0.000 0.814 401 A HN 0.602 nan 8.150 nan 0.000 0.446 402 A N -0.636 122.197 122.820 0.021 0.000 1.969 402 A HA 0.036 4.372 4.320 0.027 0.000 0.218 402 A C 2.145 179.720 177.584 -0.015 0.000 1.169 402 A CA 1.367 53.406 52.037 0.004 0.000 0.635 402 A CB -0.460 18.537 19.000 -0.005 0.000 0.810 402 A HN 0.475 nan 8.150 nan 0.000 0.445 403 L N -0.329 120.887 121.223 -0.012 0.000 2.109 403 L HA -0.103 4.253 4.340 0.027 0.000 0.207 403 L C 2.678 179.571 176.870 0.037 0.000 1.086 403 L CA 1.720 56.524 54.840 -0.060 0.000 0.760 403 L CB -0.364 41.683 42.059 -0.021 0.000 0.910 403 L HN 0.622 nan 8.230 nan 0.000 0.437 404 T N -4.335 110.274 114.554 0.091 0.000 3.107 404 T HA 0.035 4.401 4.350 0.027 0.000 0.249 404 T C 0.549 175.256 174.700 0.012 0.000 1.096 404 T CA -0.081 62.050 62.100 0.051 0.000 1.012 404 T CB -0.040 68.821 68.868 -0.012 0.000 0.977 404 T HN 0.459 nan 8.240 nan 0.000 0.527 405 D N 0.000 120.431 120.400 0.051 0.000 6.856 405 D HA 0.000 4.656 4.640 0.027 0.000 0.175 405 D CA 0.000 54.047 54.000 0.078 0.000 0.868 405 D CB 0.000 40.859 40.800 0.098 0.000 0.688 405 D HN 0.000 nan 8.370 nan 0.000 0.683