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 2w7h_1_A DATA FIRST_RESID 1 DATA SEQUENCE MKYLPQQDPQ VFAAIEQERK RQHAKIELIA SENFVSRAVM EAQGSVLTNK DATA SEQUENCE FAEGYPGRRY YGGCEYVDIV 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 0.000 176.222 176.300 -0.129 0.000 1.140 1 M CA 0.000 55.301 55.300 0.002 0.000 0.988 1 M CB 0.000 32.636 32.600 0.060 0.000 1.302 2 K N 0.754 121.057 120.400 -0.161 0.000 2.344 2 K HA 0.213 4.554 4.320 0.035 0.000 0.200 2 K C 0.635 176.922 176.600 -0.523 0.000 1.132 2 K CA 0.809 56.855 56.287 -0.402 0.000 0.935 2 K CB 0.513 32.663 32.500 -0.583 0.000 1.089 2 K HN 0.658 nan 8.250 nan 0.000 0.496 3 Y N 0.176 120.404 120.300 -0.121 0.000 2.441 3 Y HA 0.038 4.597 4.550 0.016 0.000 0.288 3 Y C 1.831 177.654 175.900 -0.128 0.000 1.118 3 Y CA 0.011 58.046 58.100 -0.108 0.000 1.215 3 Y CB -0.017 38.401 38.460 -0.070 0.000 1.118 3 Y HN 0.001 nan 8.280 nan 0.000 0.547 4 L N 1.497 122.723 121.223 0.004 0.000 2.012 4 L HA -0.085 4.276 4.340 0.035 0.000 0.210 4 L C -0.902 175.855 176.870 -0.189 0.000 1.073 4 L CA 2.036 56.853 54.840 -0.038 0.000 0.748 4 L CB -1.573 40.514 42.059 0.046 0.000 0.891 4 L HN -0.001 nan 8.230 nan 0.000 0.431 5 P HA -0.206 nan 4.420 nan 0.000 0.216 5 P C 1.451 178.589 177.300 -0.270 0.000 1.150 5 P CA 1.355 64.022 63.100 -0.722 0.000 0.837 5 P CB 0.067 31.122 31.700 -1.076 0.000 0.786 6 Q N -0.412 119.266 119.800 -0.203 0.000 2.096 6 Q HA -0.178 4.183 4.340 0.035 0.000 0.197 6 Q C 2.345 178.319 176.000 -0.044 0.000 0.964 6 Q CA 1.480 57.221 55.803 -0.103 0.000 0.838 6 Q CB -0.788 27.892 28.738 -0.097 0.000 0.906 6 Q HN 0.001 nan 8.270 nan 0.000 0.444 7 Q N 0.277 120.062 119.800 -0.024 0.000 2.079 7 Q HA -0.060 4.301 4.340 0.035 0.000 0.200 7 Q C -0.356 175.651 176.000 0.010 0.000 0.974 7 Q CA 1.591 57.397 55.803 0.004 0.000 0.840 7 Q CB 0.288 29.040 28.738 0.023 0.000 0.898 7 Q HN 0.231 nan 8.270 nan 0.000 0.430 8 D N -1.330 119.081 120.400 0.019 0.000 2.517 8 D HA 0.206 4.867 4.640 0.035 0.000 0.263 8 D C -2.240 174.113 176.300 0.089 0.000 1.233 8 D CA -1.737 52.292 54.000 0.047 0.000 0.849 8 D CB 1.305 42.137 40.800 0.054 0.000 1.261 8 D HN -0.039 nan 8.370 nan 0.000 0.516 9 P HA -0.175 nan 4.420 nan 0.000 0.216 9 P C 1.425 178.806 177.300 0.134 0.000 1.153 9 P CA 1.354 64.526 63.100 0.121 0.000 0.858 9 P CB 0.529 32.272 31.700 0.071 0.000 0.789 10 Q N -0.825 119.025 119.800 0.082 0.000 2.020 10 Q HA -0.114 4.247 4.340 0.035 0.000 0.202 10 Q C 2.162 178.199 176.000 0.062 0.000 0.982 10 Q CA 1.434 57.272 55.803 0.058 0.000 0.838 10 Q CB -0.913 27.847 28.738 0.037 0.000 0.899 10 Q HN 0.094 nan 8.270 nan 0.000 0.423 11 V N 0.661 120.622 119.914 0.077 0.000 2.343 11 V HA -0.251 3.890 4.120 0.035 0.000 0.247 11 V C 1.969 178.127 176.094 0.106 0.000 1.051 11 V CA 1.803 64.148 62.300 0.075 0.000 1.036 11 V CB -0.629 31.238 31.823 0.073 0.000 0.654 11 V HN 0.309 nan 8.190 nan 0.000 0.451 12 F N 1.577 121.529 119.950 0.004 0.000 2.095 12 F HA -0.180 4.358 4.527 0.018 0.000 0.298 12 F C 2.296 178.097 175.800 0.002 0.000 1.104 12 F CA 1.406 59.409 58.000 0.004 0.000 1.232 12 F CB -0.700 38.301 39.000 0.002 0.000 0.987 12 F HN 0.077 nan 8.300 nan 0.000 0.475 13 A N 0.285 123.064 122.820 -0.069 0.000 1.908 13 A HA -0.097 4.244 4.320 0.035 0.000 0.218 13 A C 2.422 179.904 177.584 -0.170 0.000 1.181 13 A CA 2.024 53.965 52.037 -0.159 0.000 0.627 13 A CB -1.569 17.416 19.000 -0.025 0.000 0.818 13 A HN 0.515 nan 8.150 nan 0.000 0.445 14 A N -0.203 122.560 122.820 -0.095 0.000 1.898 14 A HA -0.010 4.331 4.320 0.035 0.000 0.216 14 A C 2.117 179.643 177.584 -0.096 0.000 1.181 14 A CA 1.345 53.339 52.037 -0.071 0.000 0.620 14 A CB -0.560 18.423 19.000 -0.028 0.000 0.819 14 A HN 0.485 nan 8.150 nan 0.000 0.442 15 I N -0.237 120.263 120.570 -0.117 0.000 2.163 15 I HA -0.248 3.943 4.170 0.035 0.000 0.243 15 I C 2.497 178.505 176.117 -0.183 0.000 1.085 15 I CA 1.377 62.608 61.300 -0.115 0.000 1.347 15 I CB -0.381 37.580 38.000 -0.065 0.000 1.044 15 I HN 0.316 nan 8.210 nan 0.000 0.408 16 E N 0.651 120.636 120.200 -0.359 0.000 2.085 16 E HA -0.259 4.112 4.350 0.035 0.000 0.194 16 E C 2.155 178.646 176.600 -0.181 0.000 0.994 16 E CA 1.308 57.499 56.400 -0.348 0.000 0.801 16 E CB -0.339 29.017 29.700 -0.574 0.000 0.743 16 E HN 0.597 nan 8.360 nan 0.000 0.453 17 Q N 0.272 119.984 119.800 -0.147 0.000 2.096 17 Q HA -0.224 4.137 4.340 0.035 0.000 0.204 17 Q C 2.162 178.134 176.000 -0.048 0.000 0.982 17 Q CA 1.739 57.495 55.803 -0.078 0.000 0.850 17 Q CB -0.127 28.575 28.738 -0.060 0.000 0.901 17 Q HN 0.119 nan 8.270 nan 0.000 0.422 18 E N 1.024 121.195 120.200 -0.048 0.000 2.072 18 E HA -0.192 4.179 4.350 0.035 0.000 0.191 18 E C 1.821 178.421 176.600 0.000 0.000 0.985 18 E CA 1.306 57.697 56.400 -0.014 0.000 0.801 18 E CB -0.074 29.620 29.700 -0.009 0.000 0.750 18 E HN 0.184 nan 8.360 nan 0.000 0.452 19 R N 0.255 120.740 120.500 -0.025 0.000 2.083 19 R HA -0.141 4.220 4.340 0.035 0.000 0.237 19 R C 2.158 178.456 176.300 -0.003 0.000 1.137 19 R CA 1.972 58.062 56.100 -0.016 0.000 0.951 19 R CB -0.080 30.192 30.300 -0.047 0.000 0.851 19 R HN 0.072 nan 8.270 nan 0.000 0.434 20 K N -0.268 120.123 120.400 -0.015 0.000 2.097 20 K HA -0.135 4.206 4.320 0.035 0.000 0.205 20 K C 2.279 178.912 176.600 0.055 0.000 1.050 20 K CA 1.206 57.501 56.287 0.014 0.000 0.938 20 K CB -0.167 32.326 32.500 -0.013 0.000 0.718 20 K HN 0.132 nan 8.250 nan 0.000 0.442 21 R N 1.474 121.994 120.500 0.033 0.000 2.073 21 R HA -0.179 4.182 4.340 0.035 0.000 0.234 21 R C 2.114 178.448 176.300 0.057 0.000 1.134 21 R CA 1.697 57.822 56.100 0.041 0.000 0.952 21 R CB -0.061 30.257 30.300 0.031 0.000 0.850 21 R HN 0.295 nan 8.270 nan 0.000 0.433 22 Q N -1.166 118.676 119.800 0.070 0.000 2.135 22 Q HA -0.254 4.107 4.340 0.035 0.000 0.204 22 Q C 1.997 177.993 176.000 -0.006 0.000 0.981 22 Q CA 2.072 57.932 55.803 0.094 0.000 0.856 22 Q CB -0.246 28.566 28.738 0.124 0.000 0.902 22 Q HN 0.540 nan 8.270 nan 0.000 0.425 23 H N -0.188 118.827 119.070 -0.091 0.000 2.363 23 H HA 0.036 4.612 4.556 0.034 0.000 0.301 23 H C 1.785 177.090 175.328 -0.037 0.000 1.074 23 H CA 1.553 57.536 56.048 -0.108 0.000 1.354 23 H CB 0.023 29.733 29.762 -0.086 0.000 1.397 23 H HN 0.229 nan 8.280 nan 0.000 0.516 24 A N 0.935 123.734 122.820 -0.036 0.000 1.968 24 A HA 0.039 4.380 4.320 0.035 0.000 0.217 24 A C 1.031 178.584 177.584 -0.051 0.000 1.169 24 A CA 0.524 52.533 52.037 -0.048 0.000 0.638 24 A CB 0.010 19.036 19.000 0.043 0.000 0.812 24 A HN 0.166 nan 8.150 nan 0.000 0.446 25 K N -0.226 120.163 120.400 -0.019 0.000 2.090 25 K HA 0.510 4.851 4.320 0.035 0.000 0.250 25 K C -0.698 175.908 176.600 0.010 0.000 1.004 25 K CA -0.370 55.924 56.287 0.011 0.000 0.919 25 K CB 0.953 33.474 32.500 0.034 0.000 1.045 25 K HN 0.239 nan 8.250 nan 0.000 0.471 26 I N 2.033 122.621 120.570 0.030 0.000 2.291 26 I HA 0.041 4.232 4.170 0.035 0.000 0.290 26 I C 0.314 176.443 176.117 0.019 0.000 1.050 26 I CA -0.650 60.665 61.300 0.025 0.000 1.245 26 I CB 0.808 38.856 38.000 0.079 0.000 1.405 26 I HN 0.418 nan 8.210 nan 0.000 0.478 27 E N 7.233 127.446 120.200 0.022 0.000 2.105 27 E HA 0.228 4.599 4.350 0.035 0.000 0.285 27 E C -0.127 176.463 176.600 -0.017 0.000 1.055 27 E CA 0.170 56.583 56.400 0.022 0.000 0.843 27 E CB 0.629 30.362 29.700 0.056 0.000 1.067 27 E HN 0.581 nan 8.360 nan 0.000 0.398 28 L N 4.952 126.168 121.223 -0.011 0.000 2.906 28 L HA 0.352 4.713 4.340 0.035 0.000 0.255 28 L C 0.243 177.108 176.870 -0.008 0.000 1.166 28 L CA -0.389 54.443 54.840 -0.012 0.000 0.977 28 L CB 0.157 42.209 42.059 -0.011 0.000 1.313 28 L HN 0.541 nan 8.230 nan 0.000 0.549 29 I N 1.100 121.665 120.570 -0.007 0.000 2.662 29 I HA -0.074 4.117 4.170 0.035 0.000 0.285 29 I C 1.648 177.788 176.117 0.037 0.000 1.161 29 I CA 0.055 61.362 61.300 0.011 0.000 1.415 29 I CB 1.379 39.384 38.000 0.009 0.000 1.385 29 I HN 0.156 nan 8.210 nan 0.000 0.552 30 A N 4.581 127.451 122.820 0.084 0.000 2.070 30 A HA -0.153 4.188 4.320 0.035 0.000 0.220 30 A C 2.173 179.909 177.584 0.252 0.000 1.159 30 A CA 1.850 53.988 52.037 0.168 0.000 0.656 30 A CB -0.438 18.640 19.000 0.131 0.000 0.800 30 A HN 0.816 nan 8.150 nan 0.000 0.453 31 S N -0.674 115.118 115.700 0.153 0.000 2.548 31 S HA 0.101 4.592 4.470 0.035 0.000 0.215 31 S C 0.429 175.004 174.600 -0.042 0.000 0.976 31 S CA -0.275 57.891 58.200 -0.055 0.000 0.908 31 S CB 0.028 63.177 63.200 -0.086 0.000 0.781 31 S HN 0.471 nan 8.310 nan 0.000 0.519 32 E N 2.300 122.479 120.200 -0.035 0.000 2.349 32 E HA 0.477 4.848 4.350 0.035 0.000 0.265 32 E C -0.306 176.171 176.600 -0.206 0.000 1.064 32 E CA -0.163 56.164 56.400 -0.123 0.000 0.886 32 E CB 0.628 30.230 29.700 -0.162 0.000 1.036 32 E HN 0.261 nan 8.360 nan 0.000 0.413 33 N N 0.166 118.661 118.700 -0.342 0.000 3.277 33 N HA 0.368 5.129 4.740 0.035 0.000 0.278 33 N C -1.809 173.289 175.510 -0.687 0.000 1.544 33 N CA -0.529 52.267 53.050 -0.422 0.000 0.869 33 N CB 0.877 39.307 38.487 -0.094 0.000 1.584 33 N HN 0.149 nan 8.380 nan 0.000 0.564 34 F N 1.083 121.046 119.950 0.022 0.000 2.460 34 F HA 0.362 4.905 4.527 0.027 0.000 0.341 34 F C 0.678 176.477 175.800 -0.003 0.000 1.130 34 F CA -0.894 57.109 58.000 0.005 0.000 0.962 34 F CB 1.147 40.143 39.000 -0.007 0.000 1.171 34 F HN 0.146 nan 8.300 nan 0.000 0.436 35 V N 0.450 120.455 119.914 0.150 0.000 3.133 35 V HA 0.634 4.775 4.120 0.035 0.000 0.305 35 V C 0.445 176.585 176.094 0.076 0.000 1.084 35 V CA -0.753 61.597 62.300 0.083 0.000 1.089 35 V CB 1.109 32.961 31.823 0.049 0.000 1.073 35 V HN 0.838 nan 8.190 nan 0.000 0.477 36 S N 2.738 118.462 115.700 0.041 0.000 2.600 36 S HA 0.329 4.820 4.470 0.035 0.000 0.265 36 S C 0.914 175.528 174.600 0.024 0.000 1.325 36 S CA -0.098 58.119 58.200 0.028 0.000 1.002 36 S CB 0.682 63.890 63.200 0.014 0.000 0.921 36 S HN 0.767 nan 8.310 nan 0.000 0.554 37 R N 0.837 121.349 120.500 0.019 0.000 2.120 37 R HA -0.062 4.299 4.340 0.035 0.000 0.234 37 R C 2.575 178.882 176.300 0.012 0.000 1.123 37 R CA 1.318 57.428 56.100 0.017 0.000 0.975 37 R CB -0.972 29.336 30.300 0.014 0.000 0.866 37 R HN 0.823 nan 8.270 nan 0.000 0.446 38 A N 0.671 123.495 122.820 0.006 0.000 1.902 38 A HA -0.130 4.211 4.320 0.035 0.000 0.217 38 A C 2.334 179.913 177.584 -0.008 0.000 1.181 38 A CA 1.437 53.473 52.037 -0.001 0.000 0.623 38 A CB -0.566 18.431 19.000 -0.005 0.000 0.818 38 A HN 0.118 nan 8.150 nan 0.000 0.443 39 V N -0.054 119.854 119.914 -0.011 0.000 2.295 39 V HA -0.344 3.797 4.120 0.035 0.000 0.246 39 V C 2.667 178.756 176.094 -0.009 0.000 1.049 39 V CA 2.355 64.641 62.300 -0.023 0.000 1.024 39 V CB -0.696 31.113 31.823 -0.024 0.000 0.648 39 V HN 0.584 nan 8.190 nan 0.000 0.447 40 M N -0.756 118.849 119.600 0.007 0.000 2.117 40 M HA -0.222 4.279 4.480 0.035 0.000 0.262 40 M C 2.231 178.543 176.300 0.021 0.000 1.065 40 M CA 1.935 57.246 55.300 0.018 0.000 1.114 40 M CB -0.560 32.057 32.600 0.028 0.000 1.361 40 M HN 0.379 nan 8.290 nan 0.000 0.408 41 E N 0.385 120.595 120.200 0.016 0.000 2.085 41 E HA -0.184 4.187 4.350 0.035 0.000 0.194 41 E C 2.093 178.703 176.600 0.016 0.000 0.994 41 E CA 1.278 57.688 56.400 0.016 0.000 0.801 41 E CB -0.188 29.518 29.700 0.011 0.000 0.743 41 E HN 0.515 nan 8.360 nan 0.000 0.453 42 A N 1.460 124.284 122.820 0.008 0.000 1.883 42 A HA -0.279 4.062 4.320 0.035 0.000 0.217 42 A C 2.080 179.690 177.584 0.042 0.000 1.186 42 A CA 1.541 53.584 52.037 0.010 0.000 0.624 42 A CB -0.535 18.454 19.000 -0.017 0.000 0.822 42 A HN 0.204 nan 8.150 nan 0.000 0.444 43 Q N -1.087 118.738 119.800 0.042 0.000 2.170 43 Q HA -0.118 4.243 4.340 0.035 0.000 0.203 43 Q C 1.751 177.832 176.000 0.134 0.000 0.976 43 Q CA 1.149 57.010 55.803 0.098 0.000 0.858 43 Q CB -0.350 28.420 28.738 0.053 0.000 0.907 43 Q HN 0.669 nan 8.270 nan 0.000 0.433 44 G N 1.093 109.931 108.800 0.063 0.000 3.314 44 G HA2 0.048 4.029 3.960 0.035 0.000 0.238 44 G HA3 0.048 4.029 3.960 0.035 0.000 0.238 44 G C 0.331 175.232 174.900 0.002 0.000 1.184 44 G CA 0.056 45.175 45.100 0.031 0.000 0.806 44 G HN 0.266 nan 8.290 nan 0.000 0.536 45 S N -0.765 114.942 115.700 0.012 0.000 2.681 45 S HA 0.267 4.758 4.470 0.035 0.000 0.270 45 S C 1.600 176.169 174.600 -0.052 0.000 1.209 45 S CA 0.054 58.249 58.200 -0.009 0.000 0.988 45 S CB 1.489 64.698 63.200 0.015 0.000 1.006 45 S HN 0.554 nan 8.310 nan 0.000 0.558 46 V N -0.775 119.110 119.914 -0.049 0.000 3.383 46 V HA 0.035 4.176 4.120 0.035 0.000 0.272 46 V C 1.687 177.748 176.094 -0.056 0.000 1.181 46 V CA 0.869 63.130 62.300 -0.065 0.000 1.171 46 V CB -1.400 30.392 31.823 -0.050 0.000 0.800 46 V HN 0.685 nan 8.190 nan 0.000 0.515 47 L N 0.984 122.194 121.223 -0.020 0.000 2.265 47 L HA -0.090 4.271 4.340 0.035 0.000 0.215 47 L C 2.753 179.620 176.870 -0.007 0.000 1.117 47 L CA 2.291 57.148 54.840 0.027 0.000 0.782 47 L CB -1.310 40.805 42.059 0.093 0.000 0.914 47 L HN 0.529 nan 8.230 nan 0.000 0.441 48 T N -1.002 113.404 114.554 -0.246 0.000 2.897 48 T HA -0.191 4.180 4.350 0.035 0.000 0.271 48 T C 1.560 176.156 174.700 -0.173 0.000 1.084 48 T CA 1.778 63.592 62.100 -0.478 0.000 1.123 48 T CB -0.402 67.983 68.868 -0.805 0.000 0.865 48 T HN 0.536 nan 8.240 nan 0.000 0.496 49 N N -0.110 118.525 118.700 -0.109 0.000 2.515 49 N HA 0.036 4.797 4.740 0.035 0.000 0.185 49 N C 0.296 175.797 175.510 -0.016 0.000 1.109 49 N CA 0.168 53.179 53.050 -0.065 0.000 0.903 49 N CB 0.168 38.621 38.487 -0.057 0.000 0.969 49 N HN 0.111 nan 8.380 nan 0.000 0.450 50 K N 1.124 121.535 120.400 0.019 0.000 2.263 50 K HA 0.204 4.545 4.320 0.035 0.000 0.272 50 K C -1.357 175.309 176.600 0.110 0.000 1.033 50 K CA -0.459 55.861 56.287 0.055 0.000 0.884 50 K CB 0.233 32.762 32.500 0.049 0.000 1.107 50 K HN -0.043 nan 8.250 nan 0.000 0.460 51 F N 3.299 123.182 119.950 -0.112 0.000 2.472 51 F HA 0.396 4.942 4.527 0.032 0.000 0.364 51 F C 0.163 175.877 175.800 -0.144 0.000 1.090 51 F CA -0.267 57.623 58.000 -0.183 0.000 1.188 51 F CB 0.774 39.573 39.000 -0.336 0.000 1.105 51 F HN 0.686 nan 8.300 nan 0.000 0.536 52 A N 5.395 128.034 122.820 -0.303 0.000 2.843 52 A HA 0.200 4.541 4.320 0.035 0.000 0.248 52 A C -0.229 177.079 177.584 -0.459 0.000 0.904 52 A CA -0.488 51.360 52.037 -0.315 0.000 1.091 52 A CB -0.218 18.691 19.000 -0.151 0.000 1.208 52 A HN 0.776 nan 8.150 nan 0.000 0.476 53 E N 0.375 120.125 120.200 -0.750 0.000 2.502 53 E HA 0.342 4.713 4.350 0.035 0.000 0.261 53 E C 0.989 177.269 176.600 -0.533 0.000 0.974 53 E CA 1.542 57.444 56.400 -0.830 0.000 0.936 53 E CB 0.515 29.739 29.700 -0.795 0.000 0.926 53 E HN 1.072 nan 8.360 nan 0.000 0.459 54 G N 1.825 110.197 108.800 -0.714 0.000 2.472 54 G HA2 -0.215 3.766 3.960 0.035 0.000 0.205 54 G HA3 -0.215 3.766 3.960 0.035 0.000 0.205 54 G C -1.494 173.026 174.900 -0.632 0.000 1.270 54 G CA -0.709 44.207 45.100 -0.307 0.000 0.974 54 G HN 0.449 nan 8.290 nan 0.000 0.542 55 Y N -0.170 120.080 120.300 -0.083 0.000 2.605 55 Y HA 0.606 5.178 4.550 0.036 0.000 0.343 55 Y C -2.022 173.836 175.900 -0.070 0.000 1.036 55 Y CA -1.888 56.188 58.100 -0.040 0.000 1.065 55 Y CB 2.040 40.517 38.460 0.028 0.000 1.288 55 Y HN 0.418 nan 8.280 nan 0.000 0.481 56 P HA 0.043 nan 4.420 nan 0.000 0.260 56 P C 0.572 177.884 177.300 0.021 0.000 1.185 56 P CA 2.044 65.169 63.100 0.043 0.000 0.763 56 P CB 0.173 31.910 31.700 0.062 0.000 0.776 57 G N 3.244 112.027 108.800 -0.028 0.000 2.184 57 G HA2 -0.270 3.711 3.960 0.035 0.000 0.264 57 G HA3 -0.270 3.711 3.960 0.035 0.000 0.264 57 G C 0.497 175.359 174.900 -0.065 0.000 0.975 57 G CA -0.236 44.838 45.100 -0.043 0.000 0.642 57 G HN 0.559 nan 8.290 nan 0.000 0.536 58 R N -0.087 120.364 120.500 -0.083 0.000 2.648 58 R HA 0.227 4.588 4.340 0.035 0.000 0.341 58 R C 0.333 176.438 176.300 -0.325 0.000 1.154 58 R CA -0.490 55.515 56.100 -0.157 0.000 1.228 58 R CB 0.356 30.621 30.300 -0.059 0.000 1.311 58 R HN 0.256 nan 8.270 nan 0.000 0.659 59 R N 0.007 120.319 120.500 -0.313 0.000 2.528 59 R HA 0.250 4.611 4.340 0.035 0.000 0.271 59 R C 0.520 176.516 176.300 -0.506 0.000 1.056 59 R CA -0.332 55.546 56.100 -0.369 0.000 1.117 59 R CB 0.534 30.714 30.300 -0.199 0.000 1.085 59 R HN 0.138 nan 8.270 nan 0.000 0.530 60 Y N -0.396 119.811 120.300 -0.156 0.000 2.457 60 Y HA 0.187 4.757 4.550 0.034 0.000 0.263 60 Y C -0.176 175.332 175.900 -0.652 0.000 1.164 60 Y CA 0.117 58.029 58.100 -0.314 0.000 1.274 60 Y CB 0.238 38.541 38.460 -0.262 0.000 1.097 60 Y HN 0.404 nan 8.280 nan 0.000 0.523 61 Y N -1.001 119.243 120.300 -0.094 0.000 2.524 61 Y HA 0.602 5.174 4.550 0.038 0.000 0.347 61 Y C 0.791 176.641 175.900 -0.083 0.000 1.005 61 Y CA -1.859 56.194 58.100 -0.078 0.000 1.025 61 Y CB 1.162 39.540 38.460 -0.136 0.000 1.275 61 Y HN -0.096 nan 8.280 nan 0.000 0.460 62 G N -0.087 108.771 108.800 0.095 0.000 2.651 62 G HA2 0.394 4.375 3.960 0.035 0.000 0.260 62 G HA3 0.394 4.375 3.960 0.035 0.000 0.260 62 G C 0.846 175.758 174.900 0.021 0.000 1.216 62 G CA -0.074 45.042 45.100 0.028 0.000 0.913 62 G HN 1.466 nan 8.290 nan 0.000 0.535 63 G N -2.403 106.383 108.800 -0.023 0.000 2.155 63 G HA2 -0.300 3.681 3.960 0.035 0.000 0.257 63 G HA3 -0.300 3.681 3.960 0.035 0.000 0.257 63 G C 0.896 175.752 174.900 -0.074 0.000 0.983 63 G CA 0.631 45.709 45.100 -0.038 0.000 0.676 63 G HN 0.959 nan 8.290 nan 0.000 0.528 64 C N 0.442 119.685 119.300 -0.095 0.000 2.559 64 C HA 0.348 4.829 4.460 0.035 0.000 0.300 64 C C 2.212 177.098 174.990 -0.174 0.000 1.288 64 C CA 0.368 59.325 59.018 -0.101 0.000 1.699 64 C CB -0.753 26.936 27.740 -0.087 0.000 1.819 64 C HN 0.636 nan 8.230 nan 0.000 0.600 65 E N 0.660 120.658 120.200 -0.337 0.000 2.118 65 E HA -0.189 4.182 4.350 0.035 0.000 0.195 65 E C 1.174 177.525 176.600 -0.415 0.000 0.992 65 E CA 1.753 57.872 56.400 -0.468 0.000 0.804 65 E CB -0.197 29.057 29.700 -0.744 0.000 0.741 65 E HN 0.810 nan 8.360 nan 0.000 0.458 66 Y N -0.879 119.418 120.300 -0.004 0.000 2.389 66 Y HA -0.029 4.542 4.550 0.034 0.000 0.292 66 Y C 2.305 178.204 175.900 -0.003 0.000 1.117 66 Y CA 0.349 58.448 58.100 -0.002 0.000 1.195 66 Y CB -0.253 38.205 38.460 -0.002 0.000 1.076 66 Y HN 0.001 nan 8.280 nan 0.000 0.548 67 V N -1.719 118.256 119.914 0.101 0.000 2.594 67 V HA -0.204 3.937 4.120 0.035 0.000 0.253 67 V C 1.345 177.453 176.094 0.022 0.000 1.069 67 V CA 2.045 64.377 62.300 0.053 0.000 1.082 67 V CB -0.467 31.374 31.823 0.030 0.000 0.680 67 V HN 0.186 nan 8.190 nan 0.000 0.469 68 D N 0.946 121.344 120.400 -0.004 0.000 2.117 68 D HA -0.073 4.588 4.640 0.035 0.000 0.197 68 D C 2.066 178.379 176.300 0.021 0.000 0.987 68 D CA 1.920 55.916 54.000 -0.007 0.000 0.829 68 D CB -0.276 40.502 40.800 -0.037 0.000 0.961 68 D HN 0.533 nan 8.370 nan 0.000 0.460 69 I N 0.176 120.769 120.570 0.039 0.000 2.179 69 I HA -0.237 3.954 4.170 0.035 0.000 0.242 69 I C 2.364 178.510 176.117 0.049 0.000 1.088 69 I CA 0.592 61.925 61.300 0.055 0.000 1.357 69 I CB -0.176 37.880 38.000 0.092 0.000 1.051 69 I HN -0.093 nan 8.210 nan 0.000 0.409 70 V N 0.727 120.672 119.914 0.051 0.000 2.255 70 V HA -0.334 3.807 4.120 0.035 0.000 0.247 70 V C 2.501 178.612 176.094 0.028 0.000 1.051 70 V CA 2.333 64.654 62.300 0.034 0.000 1.018 70 V CB -0.638 31.204 31.823 0.031 0.000 0.641 70 V HN 0.488 nan 8.190 nan 0.000 0.445 71 E N -0.185 120.033 120.200 0.030 0.000 2.077 71 E HA -0.295 4.075 4.350 0.035 0.000 0.193 71 E C 2.174 178.809 176.600 0.058 0.000 0.989 71 E CA 1.561 57.985 56.400 0.039 0.000 0.800 71 E CB -0.064 29.658 29.700 0.037 0.000 0.746 71 E HN 0.589 nan 8.360 nan 0.000 0.452 72 E N 0.401 120.632 120.200 0.052 0.000 2.110 72 E HA -0.143 4.228 4.350 0.035 0.000 0.193 72 E C 2.020 178.655 176.600 0.058 0.000 0.988 72 E CA 0.885 57.317 56.400 0.053 0.000 0.804 72 E CB -0.166 29.560 29.700 0.043 0.000 0.745 72 E HN 0.314 nan 8.360 nan 0.000 0.458 73 L N -0.320 120.935 121.223 0.054 0.000 2.012 73 L HA -0.210 4.151 4.340 0.035 0.000 0.210 73 L C 2.459 179.390 176.870 0.101 0.000 1.073 73 L CA 1.237 56.112 54.840 0.060 0.000 0.748 73 L CB -0.612 41.472 42.059 0.041 0.000 0.891 73 L HN 0.207 nan 8.230 nan 0.000 0.431 74 A N 0.141 123.024 122.820 0.105 0.000 1.865 74 A HA -0.229 4.112 4.320 0.035 0.000 0.217 74 A C 2.389 180.148 177.584 0.291 0.000 1.191 74 A CA 1.718 53.882 52.037 0.213 0.000 0.623 74 A CB -0.526 18.539 19.000 0.109 0.000 0.826 74 A HN 0.329 nan 8.150 nan 0.000 0.444 75 R N -0.718 119.872 120.500 0.150 0.000 2.073 75 R HA -0.107 4.254 4.340 0.035 0.000 0.234 75 R C 2.102 178.429 176.300 0.045 0.000 1.134 75 R CA 1.368 57.512 56.100 0.074 0.000 0.952 75 R CB -0.396 29.917 30.300 0.021 0.000 0.850 75 R HN 0.493 nan 8.270 nan 0.000 0.433 76 E N 0.719 120.951 120.200 0.053 0.000 2.110 76 E HA -0.152 4.219 4.350 0.035 0.000 0.193 76 E C 2.051 178.666 176.600 0.025 0.000 0.988 76 E CA 1.149 57.568 56.400 0.032 0.000 0.804 76 E CB -0.108 29.612 29.700 0.033 0.000 0.745 76 E HN 0.309 nan 8.360 nan 0.000 0.458 77 R N 0.469 121.009 120.500 0.066 0.000 2.092 77 R HA 0.001 4.362 4.340 0.035 0.000 0.231 77 R C 2.339 178.595 176.300 -0.073 0.000 1.119 77 R CA 1.081 57.210 56.100 0.048 0.000 0.970 77 R CB -0.267 30.130 30.300 0.162 0.000 0.864 77 R HN 0.098 nan 8.270 nan 0.000 0.440 78 A N 1.550 124.300 122.820 -0.115 0.000 1.902 78 A HA -0.199 4.142 4.320 0.035 0.000 0.217 78 A C 1.875 179.404 177.584 -0.091 0.000 1.181 78 A CA 1.428 53.272 52.037 -0.321 0.000 0.623 78 A CB -0.248 18.557 19.000 -0.325 0.000 0.818 78 A HN 0.180 nan 8.150 nan 0.000 0.443 79 K N -0.433 119.939 120.400 -0.047 0.000 2.032 79 K HA -0.193 4.148 4.320 0.035 0.000 0.209 79 K C 2.365 178.944 176.600 -0.035 0.000 1.048 79 K CA 1.771 58.050 56.287 -0.014 0.000 0.927 79 K CB -0.235 32.261 32.500 -0.008 0.000 0.712 79 K HN 0.606 nan 8.250 nan 0.000 0.441 80 Q N 0.286 120.049 119.800 -0.063 0.000 2.061 80 Q HA -0.190 4.171 4.340 0.035 0.000 0.204 80 Q C 2.107 178.013 176.000 -0.157 0.000 0.984 80 Q CA 1.175 56.929 55.803 -0.082 0.000 0.846 80 Q CB -0.139 28.557 28.738 -0.071 0.000 0.902 80 Q HN 0.152 nan 8.270 nan 0.000 0.421 81 L N -0.890 120.160 121.223 -0.288 0.000 2.093 81 L HA -0.105 4.256 4.340 0.035 0.000 0.208 81 L C 1.356 177.823 176.870 -0.671 0.000 1.085 81 L CA 1.781 56.277 54.840 -0.574 0.000 0.755 81 L CB -0.146 41.362 42.059 -0.918 0.000 0.904 81 L HN 0.146 nan 8.230 nan 0.000 0.435 82 F N -1.090 118.792 119.950 -0.113 0.000 2.682 82 F HA 0.410 4.957 4.527 0.033 0.000 0.308 82 F C 1.703 177.467 175.800 -0.061 0.000 1.093 82 F CA 0.170 58.118 58.000 -0.086 0.000 1.244 82 F CB -0.410 38.517 39.000 -0.122 0.000 1.052 82 F HN 0.070 nan 8.300 nan 0.000 0.573 83 G N 1.410 110.247 108.800 0.062 0.000 2.249 83 G HA2 -0.110 3.871 3.960 0.035 0.000 0.273 83 G HA3 -0.110 3.871 3.960 0.035 0.000 0.273 83 G C 0.278 175.200 174.900 0.037 0.000 1.036 83 G CA 0.142 45.262 45.100 0.032 0.000 0.824 83 G HN 0.659 nan 8.290 nan 0.000 0.504 84 A N -0.946 121.905 122.820 0.053 0.000 2.293 84 A HA 0.778 5.119 4.320 0.035 0.000 0.302 84 A C 1.010 178.614 177.584 0.034 0.000 1.119 84 A CA 0.337 52.395 52.037 0.036 0.000 0.823 84 A CB 0.669 19.689 19.000 0.033 0.000 1.097 84 A HN 0.381 nan 8.150 nan 0.000 0.491 85 E N -0.806 119.421 120.200 0.045 0.000 2.299 85 E HA 0.007 4.378 4.350 0.035 0.000 0.193 85 E C -0.336 176.337 176.600 0.122 0.000 0.998 85 E CA 0.718 57.152 56.400 0.057 0.000 0.851 85 E CB 0.123 29.844 29.700 0.035 0.000 0.795 85 E HN 0.721 nan 8.360 nan 0.000 0.492 86 H N -0.933 118.144 119.070 0.013 0.000 2.974 86 H HA 0.553 5.130 4.556 0.036 0.000 0.366 86 H C -1.778 173.567 175.328 0.028 0.000 1.155 86 H CA -0.573 55.486 56.048 0.019 0.000 1.186 86 H CB 1.611 31.388 29.762 0.024 0.000 1.799 86 H HN -0.018 nan 8.280 nan 0.000 0.541 87 A N 3.931 126.390 122.820 -0.601 0.000 2.386 87 A HA 0.476 4.817 4.320 0.035 0.000 0.311 87 A C -1.150 176.132 177.584 -0.502 0.000 1.068 87 A CA -0.859 50.954 52.037 -0.374 0.000 0.743 87 A CB 1.352 20.254 19.000 -0.163 0.000 1.258 87 A HN 0.709 nan 8.150 nan 0.000 0.429 88 N N 1.855 120.454 118.700 -0.169 0.000 2.483 88 N HA 0.315 5.076 4.740 0.035 0.000 0.267 88 N C 0.011 175.557 175.510 0.061 0.000 0.998 88 N CA -0.165 52.886 53.050 0.001 0.000 0.918 88 N CB 1.911 40.468 38.487 0.116 0.000 1.215 88 N HN 0.712 nan 8.380 nan 0.000 0.500 89 V N 1.290 121.262 119.914 0.097 0.000 3.444 89 V HA 0.221 4.362 4.120 0.035 0.000 0.308 89 V C 1.308 177.444 176.094 0.070 0.000 1.371 89 V CA 0.286 62.654 62.300 0.114 0.000 1.141 89 V CB -0.045 31.871 31.823 0.155 0.000 1.037 89 V HN 0.537 nan 8.190 nan 0.000 0.433 90 Q N 0.662 120.499 119.800 0.063 0.000 2.389 90 Q HA 0.160 4.521 4.340 0.035 0.000 0.204 90 Q C -1.556 174.384 176.000 -0.099 0.000 0.944 90 Q CA -0.341 55.453 55.803 -0.015 0.000 0.908 90 Q CB -0.810 27.912 28.738 -0.025 0.000 1.002 90 Q HN 0.560 nan 8.270 nan 0.000 0.493 91 P HA -0.096 nan 4.420 nan 0.000 0.264 91 P C -0.079 177.187 177.300 -0.058 0.000 1.193 91 P CA 0.530 63.567 63.100 -0.105 0.000 0.763 91 P CB 0.425 32.108 31.700 -0.029 0.000 0.810 92 H N 0.499 119.570 119.070 0.001 0.000 2.518 92 H HA 0.009 4.586 4.556 0.035 0.000 0.289 92 H C 0.952 176.280 175.328 -0.001 0.000 1.051 92 H CA 1.149 57.189 56.048 -0.013 0.000 1.280 92 H CB 0.057 29.808 29.762 -0.018 0.000 1.380 92 H HN 0.499 nan 8.280 nan 0.000 0.566 93 S N -2.790 112.984 115.700 0.123 0.000 2.615 93 S HA 0.390 4.881 4.470 0.035 0.000 0.268 93 S C 1.244 175.893 174.600 0.083 0.000 1.146 93 S CA -0.371 57.897 58.200 0.114 0.000 0.818 93 S CB 1.121 64.385 63.200 0.107 0.000 1.111 93 S HN 0.096 nan 8.310 nan 0.000 0.465 94 G N 0.784 109.638 108.800 0.090 0.000 2.422 94 G HA2 0.094 4.075 3.960 0.035 0.000 0.218 94 G HA3 0.094 4.075 3.960 0.035 0.000 0.218 94 G C 1.502 176.423 174.900 0.035 0.000 1.146 94 G CA 1.146 46.257 45.100 0.017 0.000 0.769 94 G HN 1.378 nan 8.290 nan 0.000 0.547 95 A N 0.195 123.073 122.820 0.096 0.000 1.877 95 A HA -0.097 4.244 4.320 0.035 0.000 0.216 95 A C 2.374 180.011 177.584 0.088 0.000 1.186 95 A CA 2.176 54.312 52.037 0.165 0.000 0.620 95 A CB -0.405 18.718 19.000 0.205 0.000 0.822 95 A HN 0.343 nan 8.150 nan 0.000 0.443 96 Q N -0.471 119.345 119.800 0.027 0.000 2.167 96 Q HA 0.082 4.443 4.340 0.035 0.000 0.202 96 Q C 2.268 178.235 176.000 -0.054 0.000 0.970 96 Q CA 1.552 57.331 55.803 -0.041 0.000 0.855 96 Q CB -0.638 28.082 28.738 -0.030 0.000 0.911 96 Q HN 0.653 nan 8.270 nan 0.000 0.438 97 A N 0.788 123.587 122.820 -0.035 0.000 1.877 97 A HA -0.238 4.103 4.320 0.035 0.000 0.216 97 A C 1.807 179.321 177.584 -0.116 0.000 1.186 97 A CA 1.775 53.777 52.037 -0.058 0.000 0.620 97 A CB -0.640 18.334 19.000 -0.044 0.000 0.822 97 A HN 0.348 nan 8.150 nan 0.000 0.443 98 N N -0.507 118.118 118.700 -0.125 0.000 2.069 98 N HA -0.180 4.581 4.740 0.035 0.000 0.191 98 N C 1.741 176.991 175.510 -0.433 0.000 1.031 98 N CA 1.777 54.632 53.050 -0.325 0.000 0.852 98 N CB -0.563 37.823 38.487 -0.169 0.000 1.018 98 N HN 0.640 nan 8.380 nan 0.000 0.423 99 M N 0.618 120.200 119.600 -0.029 0.000 2.106 99 M HA -0.188 4.313 4.480 0.035 0.000 0.259 99 M C 1.848 178.186 176.300 0.064 0.000 1.068 99 M CA 1.869 57.236 55.300 0.113 0.000 1.100 99 M CB -0.049 32.400 32.600 -0.252 0.000 1.351 99 M HN 0.195 nan 8.290 nan 0.000 0.404 100 A N -0.516 122.276 122.820 -0.047 0.000 1.902 100 A HA -0.110 4.231 4.320 0.035 0.000 0.217 100 A C 2.034 179.601 177.584 -0.027 0.000 1.181 100 A CA 1.859 53.894 52.037 -0.004 0.000 0.623 100 A CB -1.109 17.874 19.000 -0.029 0.000 0.818 100 A HN 0.435 nan 8.150 nan 0.000 0.443 101 V N -0.962 118.831 119.914 -0.202 0.000 2.295 101 V HA -0.279 3.862 4.120 0.035 0.000 0.246 101 V C 2.450 178.378 176.094 -0.276 0.000 1.049 101 V CA 1.956 64.008 62.300 -0.413 0.000 1.024 101 V CB -1.135 30.380 31.823 -0.513 0.000 0.648 101 V HN 0.632 nan 8.190 nan 0.000 0.447 102 Y N -0.830 119.406 120.300 -0.107 0.000 2.165 102 Y HA -0.225 4.347 4.550 0.036 0.000 0.286 102 Y C 2.294 178.189 175.900 -0.008 0.000 1.155 102 Y CA 1.061 59.082 58.100 -0.133 0.000 1.164 102 Y CB -1.252 37.246 38.460 0.063 0.000 0.978 102 Y HN 0.288 nan 8.280 nan 0.000 0.513 103 F N 0.589 120.638 119.950 0.166 0.000 2.269 103 F HA -0.191 4.358 4.527 0.037 0.000 0.301 103 F C 2.162 177.965 175.800 0.005 0.000 1.082 103 F CA 1.771 59.849 58.000 0.131 0.000 1.360 103 F CB -0.408 38.648 39.000 0.093 0.000 1.041 103 F HN -0.053 nan 8.300 nan 0.000 0.512 104 T N -0.617 113.914 114.554 -0.040 0.000 2.770 104 T HA -0.093 4.278 4.350 0.035 0.000 0.263 104 T C 1.895 176.439 174.700 -0.259 0.000 1.039 104 T CA 1.911 63.905 62.100 -0.177 0.000 1.142 104 T CB -0.380 68.321 68.868 -0.279 0.000 0.868 104 T HN 0.232 nan 8.240 nan 0.000 0.435 105 V N -1.817 117.895 119.914 -0.336 0.000 3.645 105 V HA 0.490 4.631 4.120 0.035 0.000 0.275 105 V C 0.375 176.352 176.094 -0.195 0.000 1.356 105 V CA -0.190 61.895 62.300 -0.358 0.000 1.051 105 V CB -0.428 30.966 31.823 -0.714 0.000 0.828 105 V HN 0.218 nan 8.190 nan 0.000 0.441 106 L N 0.852 121.973 121.223 -0.170 0.000 2.330 106 L HA 0.678 5.039 4.340 0.035 0.000 0.271 106 L C -0.188 176.711 176.870 0.049 0.000 1.013 106 L CA -0.469 54.307 54.840 -0.106 0.000 0.816 106 L CB 2.097 43.936 42.059 -0.367 0.000 1.287 106 L HN 0.135 nan 8.230 nan 0.000 0.435 107 E N -0.002 120.259 120.200 0.101 0.000 2.222 107 E HA 0.208 4.579 4.350 0.035 0.000 0.267 107 E C -0.681 176.081 176.600 0.269 0.000 0.963 107 E CA -0.819 55.671 56.400 0.150 0.000 0.837 107 E CB 1.379 31.127 29.700 0.080 0.000 1.183 107 E HN 0.458 nan 8.360 nan 0.000 0.403 108 H N 0.782 119.924 119.070 0.120 0.000 3.167 108 H HA -0.092 4.485 4.556 0.035 0.000 0.306 108 H C 0.874 176.233 175.328 0.051 0.000 0.965 108 H CA 1.957 58.018 56.048 0.023 0.000 1.408 108 H CB 0.238 29.987 29.762 -0.021 0.000 1.406 108 H HN 0.830 nan 8.280 nan 0.000 0.576 109 G N 4.473 112.998 108.800 -0.458 0.000 2.195 109 G HA2 -0.256 3.725 3.960 0.035 0.000 0.246 109 G HA3 -0.256 3.725 3.960 0.035 0.000 0.246 109 G C 0.080 174.932 174.900 -0.080 0.000 0.984 109 G CA 0.233 45.138 45.100 -0.325 0.000 0.633 109 G HN 0.695 nan 8.290 nan 0.000 0.525 110 D N 1.461 121.877 120.400 0.028 0.000 2.449 110 D HA 0.402 5.063 4.640 0.035 0.000 0.236 110 D C 0.891 177.138 176.300 -0.089 0.000 1.149 110 D CA 0.852 54.845 54.000 -0.012 0.000 0.878 110 D CB 0.654 41.444 40.800 -0.018 0.000 1.198 110 D HN 0.136 nan 8.370 nan 0.000 0.446 111 T N 1.326 115.808 114.554 -0.120 0.000 2.832 111 T HA 0.409 4.780 4.350 0.035 0.000 0.296 111 T C 0.048 174.560 174.700 -0.314 0.000 0.968 111 T CA -0.507 61.482 62.100 -0.186 0.000 1.107 111 T CB 0.751 69.561 68.868 -0.097 0.000 0.916 111 T HN 0.002 nan 8.240 nan 0.000 0.517 112 V N 3.927 123.511 119.914 -0.551 0.000 2.876 112 V HA 0.573 4.714 4.120 0.035 0.000 0.312 112 V C -0.822 174.933 176.094 -0.564 0.000 1.085 112 V CA -1.054 60.800 62.300 -0.744 0.000 0.945 112 V CB 2.064 32.965 31.823 -1.536 0.000 1.017 112 V HN 0.656 nan 8.190 nan 0.000 0.428 113 L N 3.299 124.379 121.223 -0.239 0.000 2.319 113 L HA 0.962 5.323 4.340 0.035 0.000 0.281 113 L C 0.153 177.132 176.870 0.182 0.000 1.005 113 L CA 0.398 55.248 54.840 0.017 0.000 0.828 113 L CB 1.001 43.143 42.059 0.138 0.000 1.227 113 L HN 0.826 nan 8.230 nan 0.000 0.415 114 G N 3.966 112.871 108.800 0.175 0.000 2.730 114 G HA2 0.453 4.434 3.960 0.035 0.000 0.289 114 G HA3 0.453 4.434 3.960 0.035 0.000 0.289 114 G C -1.209 173.363 174.900 -0.547 0.000 1.341 114 G CA -0.951 44.205 45.100 0.092 0.000 0.932 114 G HN 0.656 nan 8.290 nan 0.000 0.481 115 M N 1.659 120.859 119.600 -0.667 0.000 2.228 115 M HA 0.151 4.652 4.480 0.035 0.000 0.351 115 M C 0.590 176.596 176.300 -0.491 0.000 1.233 115 M CA -0.630 54.079 55.300 -0.985 0.000 1.129 115 M CB 0.403 32.781 32.600 -0.371 0.000 1.604 115 M HN 0.589 nan 8.290 nan 0.000 0.457 116 N N 3.853 122.239 118.700 -0.524 0.000 2.294 116 N HA -0.100 4.661 4.740 0.035 0.000 0.263 116 N C 0.470 175.812 175.510 -0.280 0.000 1.281 116 N CA 0.243 53.033 53.050 -0.432 0.000 0.846 116 N CB 0.526 38.556 38.487 -0.762 0.000 1.061 116 N HN 0.708 nan 8.380 nan 0.000 0.478 117 L N 3.297 124.382 121.223 -0.230 0.000 2.083 117 L HA -0.188 4.173 4.340 0.035 0.000 0.209 117 L C 2.320 179.110 176.870 -0.134 0.000 1.083 117 L CA 1.581 56.317 54.840 -0.174 0.000 0.752 117 L CB -0.669 41.275 42.059 -0.192 0.000 0.899 117 L HN 0.737 nan 8.230 nan 0.000 0.433 118 S N -2.795 112.825 115.700 -0.133 0.000 2.603 118 S HA -0.037 4.454 4.470 0.035 0.000 0.220 118 S C 1.445 176.094 174.600 0.081 0.000 0.967 118 S CA 0.212 58.381 58.200 -0.052 0.000 0.920 118 S CB -0.707 62.461 63.200 -0.054 0.000 0.773 118 S HN 0.585 nan 8.310 nan 0.000 0.529 119 H N -0.014 118.955 119.070 -0.169 0.000 2.652 119 H HA 0.366 4.943 4.556 0.035 0.000 0.274 119 H C 1.505 176.797 175.328 -0.060 0.000 1.021 119 H CA 0.019 55.986 56.048 -0.135 0.000 1.187 119 H CB 0.693 30.360 29.762 -0.157 0.000 1.505 119 H HN 0.610 nan 8.280 nan 0.000 0.530 120 G N 0.576 109.402 108.800 0.044 0.000 2.370 120 G HA2 -0.181 3.800 3.960 0.035 0.000 0.174 120 G HA3 -0.181 3.800 3.960 0.035 0.000 0.174 120 G C 0.677 175.588 174.900 0.018 0.000 1.002 120 G CA -0.337 44.785 45.100 0.037 0.000 0.730 120 G HN 0.522 nan 8.290 nan 0.000 0.497 121 G N -0.383 108.407 108.800 -0.017 0.000 2.636 121 G HA2 0.456 4.437 3.960 0.035 0.000 0.246 121 G HA3 0.456 4.437 3.960 0.035 0.000 0.246 121 G C -0.202 174.658 174.900 -0.066 0.000 1.216 121 G CA 0.061 45.174 45.100 0.021 0.000 0.854 121 G HN 0.431 nan 8.290 nan 0.000 0.572 122 H N 0.751 119.596 119.070 -0.375 0.000 2.488 122 H HA 0.151 4.727 4.556 0.035 0.000 0.347 122 H C 1.372 176.439 175.328 -0.435 0.000 1.174 122 H CA -0.882 54.846 56.048 -0.533 0.000 1.307 122 H CB 1.723 30.943 29.762 -0.902 0.000 1.517 122 H HN 0.304 nan 8.280 nan 0.000 0.554 123 L N 2.867 123.521 121.223 -0.948 0.000 2.051 123 L HA -0.240 4.121 4.340 0.035 0.000 0.214 123 L C 2.414 179.033 176.870 -0.419 0.000 1.076 123 L CA 2.584 57.046 54.840 -0.631 0.000 0.758 123 L CB -0.596 41.082 42.059 -0.635 0.000 0.890 123 L HN 0.847 nan 8.230 nan 0.000 0.433 124 T N -5.125 109.280 114.554 -0.248 0.000 3.148 124 T HA -0.041 4.330 4.350 0.035 0.000 0.253 124 T C 0.919 175.663 174.700 0.074 0.000 1.134 124 T CA 0.489 62.591 62.100 0.004 0.000 1.051 124 T CB -0.880 68.195 68.868 0.345 0.000 0.959 124 T HN 0.590 nan 8.240 nan 0.000 0.525 125 H N 0.577 119.536 119.070 -0.184 0.000 2.550 125 H HA 0.495 5.071 4.556 0.035 0.000 0.304 125 H C 1.440 176.184 175.328 -0.973 0.000 1.086 125 H CA -0.434 55.435 56.048 -0.297 0.000 1.089 125 H CB 0.065 29.812 29.762 -0.025 0.000 1.528 125 H HN 0.520 nan 8.280 nan 0.000 0.539 126 G N 0.889 108.937 108.800 -1.253 0.000 2.164 126 G HA2 -0.282 3.699 3.960 0.035 0.000 0.154 126 G HA3 -0.282 3.699 3.960 0.035 0.000 0.154 126 G C 0.240 174.805 174.900 -0.559 0.000 1.014 126 G CA -0.032 44.232 45.100 -1.394 0.000 0.683 126 G HN 0.393 nan 8.290 nan 0.000 0.500 127 S N 1.384 116.827 115.700 -0.428 0.000 2.546 127 S HA 0.384 4.875 4.470 0.035 0.000 0.290 127 S C 0.041 174.518 174.600 -0.205 0.000 1.290 127 S CA 0.074 58.114 58.200 -0.267 0.000 1.069 127 S CB 1.095 64.153 63.200 -0.237 0.000 0.846 127 S HN 0.180 nan 8.310 nan 0.000 0.495 128 P HA -0.020 nan 4.420 nan 0.000 0.234 128 P C 0.980 178.245 177.300 -0.057 0.000 1.167 128 P CA 0.715 63.766 63.100 -0.082 0.000 0.763 128 P CB -0.314 31.354 31.700 -0.054 0.000 0.835 129 V N -4.493 115.384 119.914 -0.061 0.000 3.542 129 V HA 0.279 4.420 4.120 0.035 0.000 0.296 129 V C 0.688 176.768 176.094 -0.024 0.000 1.364 129 V CA -0.424 61.860 62.300 -0.027 0.000 1.118 129 V CB -0.882 30.936 31.823 -0.009 0.000 0.972 129 V HN 0.008 nan 8.190 nan 0.000 0.430 130 N N 0.594 119.252 118.700 -0.070 0.000 2.443 130 N HA 0.244 5.005 4.740 0.035 0.000 0.293 130 N C 0.975 176.451 175.510 -0.055 0.000 1.159 130 N CA -0.136 52.883 53.050 -0.053 0.000 0.904 130 N CB 2.128 40.518 38.487 -0.162 0.000 1.214 130 N HN 0.215 nan 8.380 nan 0.000 0.513 131 F N 2.138 122.103 119.950 0.025 0.000 2.192 131 F HA -0.173 4.376 4.527 0.035 0.000 0.301 131 F C 2.285 178.128 175.800 0.072 0.000 1.079 131 F CA 1.462 59.490 58.000 0.048 0.000 1.303 131 F CB -0.986 38.064 39.000 0.085 0.000 1.024 131 F HN 0.444 nan 8.300 nan 0.000 0.494 132 S N 0.501 115.546 115.700 -1.091 0.000 2.356 132 S HA -0.067 4.424 4.470 0.035 0.000 0.223 132 S C 2.294 176.749 174.600 -0.241 0.000 1.032 132 S CA 1.013 58.791 58.200 -0.703 0.000 1.005 132 S CB -1.679 61.034 63.200 -0.813 0.000 0.867 132 S HN 0.559 nan 8.310 nan 0.000 0.449 133 G N 0.393 109.005 108.800 -0.314 0.000 2.511 133 G HA2 0.082 4.063 3.960 0.035 0.000 0.217 133 G HA3 0.082 4.063 3.960 0.035 0.000 0.217 133 G C 1.320 176.193 174.900 -0.046 0.000 1.133 133 G CA 0.659 45.677 45.100 -0.136 0.000 0.792 133 G HN 0.475 nan 8.290 nan 0.000 0.539 134 V N -0.007 119.869 119.914 -0.063 0.000 2.599 134 V HA -0.056 4.085 4.120 0.035 0.000 0.245 134 V C 2.540 178.602 176.094 -0.052 0.000 1.046 134 V CA 1.923 64.208 62.300 -0.025 0.000 1.065 134 V CB 0.464 32.296 31.823 0.015 0.000 0.703 134 V HN 0.435 nan 8.190 nan 0.000 0.464 135 Q N -0.781 118.934 119.800 -0.142 0.000 2.250 135 Q HA 0.064 4.425 4.340 0.035 0.000 0.200 135 Q C -0.104 175.487 176.000 -0.682 0.000 0.941 135 Q CA 1.008 56.587 55.803 -0.373 0.000 0.872 135 Q CB 0.231 28.657 28.738 -0.520 0.000 0.965 135 Q HN 0.631 nan 8.270 nan 0.000 0.480 136 Y N -0.851 119.436 120.300 -0.022 0.000 2.602 136 Y HA 0.408 4.978 4.550 0.034 0.000 0.342 136 Y C -0.602 175.267 175.900 -0.051 0.000 1.029 136 Y CA -1.877 56.165 58.100 -0.097 0.000 1.080 136 Y CB 0.838 39.208 38.460 -0.150 0.000 1.284 136 Y HN -0.159 nan 8.280 nan 0.000 0.485 137 N N 1.285 119.995 118.700 0.017 0.000 2.719 137 N HA 0.223 4.984 4.740 0.035 0.000 0.243 137 N C -1.743 173.707 175.510 -0.099 0.000 1.104 137 N CA -0.110 52.920 53.050 -0.033 0.000 0.981 137 N CB -0.347 38.098 38.487 -0.070 0.000 1.290 137 N HN 0.412 nan 8.380 nan 0.000 0.513 138 F N 2.305 122.190 119.950 -0.109 0.000 2.427 138 F HA 0.238 4.786 4.527 0.035 0.000 0.352 138 F C 0.752 176.451 175.800 -0.169 0.000 1.100 138 F CA -0.391 57.528 58.000 -0.135 0.000 1.191 138 F CB 0.803 39.723 39.000 -0.134 0.000 1.128 138 F HN 0.123 nan 8.300 nan 0.000 0.533 139 V N 0.764 120.626 119.914 -0.086 0.000 2.919 139 V HA 0.983 5.124 4.120 0.035 0.000 0.316 139 V C -0.571 175.482 176.094 -0.067 0.000 1.077 139 V CA -1.152 61.040 62.300 -0.179 0.000 0.977 139 V CB 1.384 32.896 31.823 -0.518 0.000 1.039 139 V HN 0.886 nan 8.190 nan 0.000 0.441 140 A N 2.252 125.017 122.820 -0.091 0.000 2.401 140 A HA 0.932 5.273 4.320 0.035 0.000 0.310 140 A C -1.003 176.543 177.584 -0.064 0.000 1.075 140 A CA -0.723 51.230 52.037 -0.140 0.000 0.746 140 A CB 1.459 20.333 19.000 -0.211 0.000 1.277 140 A HN 1.548 nan 8.150 nan 0.000 0.425 141 Y N -0.087 120.202 120.300 -0.018 0.000 2.496 141 Y HA 0.844 5.414 4.550 0.035 0.000 0.331 141 Y C 0.429 176.299 175.900 -0.050 0.000 1.140 141 Y CA -0.932 57.157 58.100 -0.018 0.000 1.166 141 Y CB 1.026 39.485 38.460 -0.002 0.000 1.249 141 Y HN 0.790 nan 8.280 nan 0.000 0.479 142 G N 0.368 109.288 108.800 0.200 0.000 2.600 142 G HA2 0.583 4.564 3.960 0.035 0.000 0.303 142 G HA3 0.583 4.564 3.960 0.035 0.000 0.303 142 G C -0.982 174.128 174.900 0.350 0.000 1.253 142 G CA -0.758 44.496 45.100 0.256 0.000 0.974 142 G HN 1.071 nan 8.290 nan 0.000 0.483 143 V N -1.575 118.613 119.914 0.457 0.000 2.863 143 V HA 0.474 4.615 4.120 0.035 0.000 0.307 143 V C 0.282 176.566 176.094 0.318 0.000 1.061 143 V CA -1.124 61.342 62.300 0.276 0.000 1.024 143 V CB 1.699 33.667 31.823 0.241 0.000 1.049 143 V HN 0.690 nan 8.190 nan 0.000 0.471 144 D N 2.929 123.462 120.400 0.222 0.000 2.455 144 D HA 0.154 4.815 4.640 0.035 0.000 0.241 144 D C -1.776 174.612 176.300 0.147 0.000 1.138 144 D CA -1.173 52.917 54.000 0.150 0.000 0.877 144 D CB 2.015 42.858 40.800 0.071 0.000 1.187 144 D HN 0.422 nan 8.370 nan 0.000 0.451 145 P HA -0.058 nan 4.420 nan 0.000 0.222 145 P C 0.717 177.942 177.300 -0.125 0.000 1.147 145 P CA 0.949 63.904 63.100 -0.242 0.000 0.790 145 P CB 0.443 31.814 31.700 -0.548 0.000 0.780 146 E N -0.944 119.145 120.200 -0.186 0.000 2.110 146 E HA -0.061 4.310 4.350 0.035 0.000 0.193 146 E C 1.889 178.189 176.600 -0.499 0.000 0.950 146 E CA 1.326 57.568 56.400 -0.264 0.000 0.840 146 E CB -0.456 29.154 29.700 -0.149 0.000 0.809 146 E HN 0.141 nan 8.360 nan 0.000 0.465 147 T N -2.757 111.604 114.554 -0.322 0.000 3.043 147 T HA -0.027 4.344 4.350 0.035 0.000 0.263 147 T C 0.210 174.784 174.700 -0.210 0.000 1.094 147 T CA 0.950 62.902 62.100 -0.247 0.000 1.127 147 T CB -0.459 68.370 68.868 -0.065 0.000 0.905 147 T HN 0.459 nan 8.240 nan 0.000 0.490 148 H N -0.794 118.330 119.070 0.090 0.000 3.010 148 H HA -0.105 4.472 4.556 0.035 0.000 0.272 148 H C -0.385 175.080 175.328 0.228 0.000 1.151 148 H CA 0.097 56.222 56.048 0.128 0.000 1.159 148 H CB -2.472 27.343 29.762 0.087 0.000 1.295 148 H HN 0.349 nan 8.280 nan 0.000 0.344 149 V N 1.357 121.438 119.914 0.278 0.000 2.607 149 V HA 0.132 4.273 4.120 0.035 0.000 0.289 149 V C 1.362 177.620 176.094 0.272 0.000 1.053 149 V CA -0.487 62.029 62.300 0.358 0.000 0.996 149 V CB 1.394 33.363 31.823 0.243 0.000 0.995 149 V HN 0.198 nan 8.190 nan 0.000 0.476 150 I N 3.399 124.092 120.570 0.205 0.000 2.906 150 I HA -0.067 4.124 4.170 0.035 0.000 0.302 150 I C 0.700 176.685 176.117 -0.221 0.000 1.220 150 I CA 0.605 61.822 61.300 -0.139 0.000 1.441 150 I CB 0.077 37.782 38.000 -0.492 0.000 1.336 150 I HN 0.640 nan 8.210 nan 0.000 0.565 151 D N 6.883 127.204 120.400 -0.132 0.000 2.422 151 D HA 0.043 4.704 4.640 0.035 0.000 0.227 151 D C 0.582 176.749 176.300 -0.221 0.000 1.190 151 D CA -0.042 53.916 54.000 -0.071 0.000 0.905 151 D CB 0.428 41.254 40.800 0.043 0.000 1.034 151 D HN 0.332 nan 8.370 nan 0.000 0.507 152 Y N 1.585 121.814 120.300 -0.117 0.000 2.352 152 Y HA -0.120 4.451 4.550 0.035 0.000 0.292 152 Y C 2.004 177.797 175.900 -0.179 0.000 1.136 152 Y CA 0.716 58.672 58.100 -0.240 0.000 1.227 152 Y CB 0.185 38.492 38.460 -0.255 0.000 0.991 152 Y HN 0.397 nan 8.280 nan 0.000 0.545 153 D N -0.166 120.248 120.400 0.022 0.000 2.178 153 D HA -0.173 4.488 4.640 0.035 0.000 0.202 153 D C 1.551 177.844 176.300 -0.011 0.000 0.974 153 D CA 1.481 55.482 54.000 0.002 0.000 0.841 153 D CB -0.226 40.584 40.800 0.016 0.000 0.953 153 D HN 0.409 nan 8.370 nan 0.000 0.478 154 D N 0.504 120.898 120.400 -0.010 0.000 2.117 154 D HA -0.119 4.542 4.640 0.035 0.000 0.198 154 D C 2.162 178.462 176.300 0.001 0.000 0.982 154 D CA 0.551 54.565 54.000 0.023 0.000 0.828 154 D CB 0.110 40.953 40.800 0.072 0.000 0.967 154 D HN -0.103 nan 8.370 nan 0.000 0.464 155 V N 0.619 120.453 119.914 -0.133 0.000 2.282 155 V HA -0.279 3.862 4.120 0.035 0.000 0.249 155 V C 2.646 178.671 176.094 -0.115 0.000 1.057 155 V CA 2.235 64.382 62.300 -0.254 0.000 1.032 155 V CB -0.649 30.757 31.823 -0.695 0.000 0.645 155 V HN 0.238 nan 8.190 nan 0.000 0.447 156 R N -0.138 120.301 120.500 -0.101 0.000 2.081 156 R HA -0.213 4.148 4.340 0.035 0.000 0.235 156 R C 2.426 178.719 176.300 -0.011 0.000 1.131 156 R CA 2.050 58.120 56.100 -0.050 0.000 0.960 156 R CB -0.277 29.997 30.300 -0.043 0.000 0.856 156 R HN 0.691 nan 8.270 nan 0.000 0.436 157 E N 0.162 120.362 120.200 0.000 0.000 2.047 157 E HA -0.189 4.182 4.350 0.035 0.000 0.191 157 E C 1.590 178.210 176.600 0.032 0.000 0.987 157 E CA 1.063 57.470 56.400 0.011 0.000 0.799 157 E CB 0.200 29.910 29.700 0.017 0.000 0.752 157 E HN 0.146 nan 8.360 nan 0.000 0.449 158 K N 0.319 120.771 120.400 0.087 0.000 2.063 158 K HA -0.133 4.208 4.320 0.035 0.000 0.208 158 K C 2.088 178.798 176.600 0.184 0.000 1.048 158 K CA 1.112 57.518 56.287 0.199 0.000 0.928 158 K CB -0.491 32.151 32.500 0.237 0.000 0.713 158 K HN 0.195 nan 8.250 nan 0.000 0.442 159 A N 1.669 124.551 122.820 0.104 0.000 1.877 159 A HA -0.185 4.156 4.320 0.035 0.000 0.216 159 A C 2.246 179.858 177.584 0.047 0.000 1.186 159 A CA 1.530 53.613 52.037 0.078 0.000 0.620 159 A CB -0.403 18.623 19.000 0.044 0.000 0.822 159 A HN 0.277 nan 8.150 nan 0.000 0.443 160 R N -1.337 119.173 120.500 0.017 0.000 2.115 160 R HA -0.011 4.350 4.340 0.035 0.000 0.226 160 R C 2.096 178.373 176.300 -0.040 0.000 1.100 160 R CA 1.188 57.282 56.100 -0.009 0.000 0.980 160 R CB -0.419 29.872 30.300 -0.015 0.000 0.875 160 R HN 0.494 nan 8.270 nan 0.000 0.445 161 L N 0.075 121.248 121.223 -0.083 0.000 2.023 161 L HA -0.113 4.248 4.340 0.035 0.000 0.205 161 L C 1.814 178.539 176.870 -0.243 0.000 1.073 161 L CA 1.901 56.612 54.840 -0.215 0.000 0.745 161 L CB -0.330 41.505 42.059 -0.374 0.000 0.900 161 L HN 0.190 nan 8.230 nan 0.000 0.435 162 H N 0.010 119.080 119.070 -0.001 0.000 2.562 162 H HA 0.233 4.810 4.556 0.035 0.000 0.267 162 H C 0.016 175.333 175.328 -0.018 0.000 0.959 162 H CA 0.123 56.165 56.048 -0.009 0.000 1.204 162 H CB 0.269 30.025 29.762 -0.009 0.000 1.430 162 H HN 0.162 nan 8.280 nan 0.000 0.545 163 R N 0.511 121.058 120.500 0.078 0.000 3.146 163 R HA -0.102 4.259 4.340 0.035 0.000 0.250 163 R C -2.614 173.701 176.300 0.025 0.000 0.912 163 R CA -0.018 56.103 56.100 0.035 0.000 0.633 163 R CB -2.426 27.882 30.300 0.013 0.000 1.180 163 R HN 0.442 nan 8.270 nan 0.000 0.464 164 P HA 0.066 nan 4.420 nan 0.000 0.272 164 P C 0.613 177.899 177.300 -0.023 0.000 1.223 164 P CA -0.242 62.843 63.100 -0.025 0.000 0.784 164 P CB 0.875 32.558 31.700 -0.030 0.000 0.923 165 K N 0.748 121.121 120.400 -0.046 0.000 2.228 165 K HA 0.011 4.352 4.320 0.035 0.000 0.202 165 K C 0.279 176.914 176.600 0.059 0.000 1.051 165 K CA 0.517 56.804 56.287 -0.000 0.000 0.960 165 K CB 0.013 32.510 32.500 -0.006 0.000 0.743 165 K HN 0.317 nan 8.250 nan 0.000 0.458 166 L N 0.947 122.165 121.223 -0.009 0.000 2.455 166 L HA 0.455 4.816 4.340 0.035 0.000 0.264 166 L C -1.563 175.317 176.870 0.016 0.000 0.968 166 L CA -0.612 54.253 54.840 0.041 0.000 0.827 166 L CB 1.913 43.943 42.059 -0.049 0.000 1.317 166 L HN -0.082 nan 8.230 nan 0.000 0.407 167 I N 4.928 125.567 120.570 0.116 0.000 2.404 167 I HA 0.522 4.713 4.170 0.035 0.000 0.293 167 I C -0.749 175.462 176.117 0.156 0.000 0.992 167 I CA -1.015 60.381 61.300 0.160 0.000 1.149 167 I CB 1.981 40.124 38.000 0.239 0.000 1.315 167 I HN 0.261 nan 8.210 nan 0.000 0.446 168 V N 5.330 125.334 119.914 0.150 0.000 2.435 168 V HA 0.730 4.871 4.120 0.035 0.000 0.290 168 V C 0.218 176.299 176.094 -0.021 0.000 1.030 168 V CA -0.423 61.900 62.300 0.039 0.000 0.881 168 V CB 1.458 33.273 31.823 -0.013 0.000 0.983 168 V HN 0.854 nan 8.190 nan 0.000 0.445 169 A N 3.899 126.581 122.820 -0.231 0.000 2.380 169 A HA 1.066 5.407 4.320 0.035 0.000 0.315 169 A C -0.041 177.458 177.584 -0.142 0.000 1.101 169 A CA -0.023 51.748 52.037 -0.442 0.000 0.771 169 A CB 1.652 20.000 19.000 -1.087 0.000 1.287 169 A HN 2.510 nan 8.150 nan 0.000 0.436 170 A N -0.974 121.843 122.820 -0.003 0.000 2.435 170 A HA 0.570 4.911 4.320 0.035 0.000 0.686 170 A C -0.305 177.413 177.584 0.224 0.000 0.139 170 A CA -0.036 52.090 52.037 0.148 0.000 0.026 170 A CB -1.496 17.587 19.000 0.139 0.000 3.973 170 A HN 2.989 nan 8.150 nan 0.000 0.548 171 A N -0.731 122.230 122.820 0.236 0.000 2.612 171 A HA 0.949 5.290 4.320 0.035 0.000 0.293 171 A C 0.584 178.233 177.584 0.109 0.000 1.075 171 A CA 0.740 52.890 52.037 0.189 0.000 0.680 171 A CB 0.531 19.635 19.000 0.173 0.000 1.279 171 A HN 2.485 nan 8.150 nan 0.000 0.411 172 S N -0.601 115.112 115.700 0.022 0.000 2.511 172 S HA 0.488 4.979 4.470 0.035 0.000 0.214 172 S C 0.719 175.089 174.600 -0.382 0.000 0.997 172 S CA 0.789 58.882 58.200 -0.178 0.000 0.908 172 S CB 0.526 63.790 63.200 0.105 0.000 0.803 172 S HN 2.149 nan 8.310 nan 0.000 0.504 173 A N 0.491 123.227 122.820 -0.140 0.000 3.106 173 A HA 0.535 4.876 4.320 0.035 0.000 0.227 173 A C -0.920 176.688 177.584 0.041 0.000 0.920 173 A CA -0.418 51.555 52.037 -0.106 0.000 1.088 173 A CB -0.012 18.942 19.000 -0.077 0.000 1.233 173 A HN 0.440 nan 8.150 nan 0.000 0.503 174 Y N 1.805 122.058 120.300 -0.079 0.000 2.345 174 Y HA 0.545 5.116 4.550 0.034 0.000 0.331 174 Y C -2.256 173.648 175.900 0.006 0.000 0.959 174 Y CA -2.320 55.780 58.100 0.000 0.000 1.204 174 Y CB 2.230 40.730 38.460 0.068 0.000 1.135 174 Y HN 0.246 nan 8.280 nan 0.000 0.477 175 P HA 0.117 nan 4.420 nan 0.000 0.257 175 P C -0.286 176.813 177.300 -0.334 0.000 1.281 175 P CA 0.536 63.469 63.100 -0.278 0.000 0.826 175 P CB 0.516 32.100 31.700 -0.194 0.000 1.237 176 R N -0.117 119.974 120.500 -0.681 0.000 2.873 176 R HA 0.491 4.852 4.340 0.035 0.000 0.264 176 R C 0.406 176.637 176.300 -0.115 0.000 1.026 176 R CA -1.473 54.381 56.100 -0.410 0.000 1.002 176 R CB 0.770 30.824 30.300 -0.410 0.000 1.174 176 R HN 0.008 nan 8.270 nan 0.000 0.488 177 I N 2.176 122.748 120.570 0.003 0.000 2.710 177 I HA 0.015 4.206 4.170 0.035 0.000 0.286 177 I C 0.573 176.789 176.117 0.165 0.000 1.181 177 I CA 0.414 61.722 61.300 0.014 0.000 1.430 177 I CB 0.313 38.165 38.000 -0.246 0.000 1.367 177 I HN 0.237 nan 8.210 nan 0.000 0.577 178 I N 5.650 126.336 120.570 0.193 0.000 2.396 178 I HA 0.088 4.279 4.170 0.035 0.000 0.292 178 I C 0.271 176.167 176.117 -0.369 0.000 0.999 178 I CA -0.254 61.079 61.300 0.055 0.000 1.310 178 I CB 0.906 38.872 38.000 -0.056 0.000 1.404 178 I HN 0.495 nan 8.210 nan 0.000 0.496 179 D N 6.406 126.772 120.400 -0.057 0.000 2.468 179 D HA 0.139 4.800 4.640 0.035 0.000 0.218 179 D C 0.776 177.023 176.300 -0.088 0.000 1.155 179 D CA -0.071 53.786 54.000 -0.237 0.000 0.924 179 D CB 0.306 40.834 40.800 -0.454 0.000 1.029 179 D HN 0.343 nan 8.370 nan 0.000 0.515 180 F N 1.770 121.745 119.950 0.042 0.000 2.216 180 F HA -0.123 4.425 4.527 0.035 0.000 0.300 180 F C 2.518 178.133 175.800 -0.308 0.000 1.085 180 F CA 0.617 58.608 58.000 -0.015 0.000 1.326 180 F CB -0.086 38.909 39.000 -0.008 0.000 1.027 180 F HN 0.427 nan 8.300 nan 0.000 0.497 181 A N 0.490 122.954 122.820 -0.594 0.000 1.902 181 A HA -0.201 4.140 4.320 0.035 0.000 0.217 181 A C 2.201 179.678 177.584 -0.179 0.000 1.181 181 A CA 1.613 53.285 52.037 -0.608 0.000 0.623 181 A CB -0.543 18.150 19.000 -0.512 0.000 0.818 181 A HN 0.302 nan 8.150 nan 0.000 0.443 182 K N -1.568 118.714 120.400 -0.197 0.000 2.057 182 K HA -0.062 4.279 4.320 0.035 0.000 0.206 182 K C 1.679 178.233 176.600 -0.078 0.000 1.050 182 K CA 1.381 57.546 56.287 -0.203 0.000 0.935 182 K CB -0.331 31.872 32.500 -0.494 0.000 0.715 182 K HN 0.455 nan 8.250 nan 0.000 0.439 183 F N 1.247 121.224 119.950 0.045 0.000 2.095 183 F HA -0.228 4.320 4.527 0.036 0.000 0.298 183 F C 2.628 178.480 175.800 0.086 0.000 1.104 183 F CA 1.416 59.473 58.000 0.095 0.000 1.232 183 F CB -0.229 38.872 39.000 0.168 0.000 0.987 183 F HN -0.056 nan 8.300 nan 0.000 0.475 184 R N 0.852 121.516 120.500 0.273 0.000 2.081 184 R HA -0.164 4.197 4.340 0.035 0.000 0.235 184 R C 2.045 178.428 176.300 0.139 0.000 1.131 184 R CA 1.781 58.009 56.100 0.213 0.000 0.960 184 R CB -0.789 29.663 30.300 0.253 0.000 0.856 184 R HN 0.407 nan 8.270 nan 0.000 0.436 185 E N -0.258 119.993 120.200 0.086 0.000 2.058 185 E HA -0.201 4.170 4.350 0.035 0.000 0.194 185 E C 1.892 178.512 176.600 0.033 0.000 0.997 185 E CA 1.835 58.260 56.400 0.043 0.000 0.801 185 E CB -0.158 29.541 29.700 -0.002 0.000 0.746 185 E HN 0.414 nan 8.360 nan 0.000 0.450 186 I N 0.683 121.265 120.570 0.019 0.000 2.202 186 I HA -0.255 3.936 4.170 0.035 0.000 0.242 186 I C 2.575 178.721 176.117 0.049 0.000 1.091 186 I CA 0.938 62.242 61.300 0.007 0.000 1.368 186 I CB -0.347 37.623 38.000 -0.049 0.000 1.058 186 I HN 0.167 nan 8.210 nan 0.000 0.410 187 A N 0.709 123.590 122.820 0.102 0.000 1.892 187 A HA -0.286 4.055 4.320 0.035 0.000 0.218 187 A C 1.969 179.604 177.584 0.084 0.000 1.188 187 A CA 2.367 54.478 52.037 0.122 0.000 0.631 187 A CB -0.746 18.376 19.000 0.203 0.000 0.822 187 A HN 0.354 nan 8.150 nan 0.000 0.447 188 D N -0.851 119.601 120.400 0.088 0.000 2.123 188 D HA -0.163 4.498 4.640 0.035 0.000 0.196 188 D C 1.892 178.211 176.300 0.030 0.000 0.992 188 D CA 1.493 55.529 54.000 0.061 0.000 0.833 188 D CB -0.372 40.466 40.800 0.063 0.000 0.954 188 D HN 0.754 nan 8.370 nan 0.000 0.455 189 E N 0.327 120.543 120.200 0.026 0.000 2.110 189 E HA -0.141 4.230 4.350 0.035 0.000 0.193 189 E C 1.699 178.302 176.600 0.005 0.000 0.988 189 E CA 1.179 57.586 56.400 0.011 0.000 0.804 189 E CB 0.283 29.987 29.700 0.006 0.000 0.745 189 E HN 0.242 nan 8.360 nan 0.000 0.458 190 V N -3.279 116.640 119.914 0.009 0.000 3.621 190 V HA 0.423 4.564 4.120 0.035 0.000 0.285 190 V C 1.051 177.138 176.094 -0.012 0.000 1.346 190 V CA 0.328 62.630 62.300 0.002 0.000 1.104 190 V CB 0.003 31.833 31.823 0.012 0.000 0.913 190 V HN 0.263 nan 8.190 nan 0.000 0.432 191 G N 0.478 109.266 108.800 -0.020 0.000 2.273 191 G HA2 -0.010 3.971 3.960 0.035 0.000 0.280 191 G HA3 -0.010 3.971 3.960 0.035 0.000 0.280 191 G C 0.199 175.032 174.900 -0.112 0.000 1.047 191 G CA 0.425 45.487 45.100 -0.063 0.000 0.869 191 G HN 1.643 nan 8.290 nan 0.000 0.502 192 A N -0.593 122.188 122.820 -0.065 0.000 2.312 192 A HA 0.818 5.159 4.320 0.035 0.000 0.328 192 A C 0.051 177.588 177.584 -0.079 0.000 1.158 192 A CA -0.820 51.182 52.037 -0.058 0.000 0.821 192 A CB 0.855 19.877 19.000 0.037 0.000 1.170 192 A HN 0.541 nan 8.150 nan 0.000 0.490 193 Y N 0.155 120.427 120.300 -0.047 0.000 2.457 193 Y HA 0.316 4.887 4.550 0.036 0.000 0.341 193 Y C 0.342 176.353 175.900 0.186 0.000 1.240 193 Y CA 0.495 58.535 58.100 -0.099 0.000 1.437 193 Y CB 0.585 39.003 38.460 -0.070 0.000 1.328 193 Y HN 0.545 nan 8.280 nan 0.000 0.588 194 L N 5.066 126.663 121.223 0.622 0.000 2.313 194 L HA 0.509 4.870 4.340 0.035 0.000 0.283 194 L C -0.790 176.278 176.870 0.329 0.000 1.013 194 L CA -0.851 54.221 54.840 0.387 0.000 0.816 194 L CB 1.095 43.332 42.059 0.297 0.000 1.236 194 L HN 0.729 nan 8.230 nan 0.000 0.419 195 M N 5.654 125.390 119.600 0.226 0.000 2.294 195 M HA 0.620 5.121 4.480 0.035 0.000 0.335 195 M C -1.721 174.584 176.300 0.009 0.000 1.079 195 M CA -0.622 54.775 55.300 0.161 0.000 0.982 195 M CB 1.631 34.318 32.600 0.145 0.000 1.651 195 M HN 0.409 nan 8.290 nan 0.000 0.437 196 V N 4.188 124.064 119.914 -0.063 0.000 2.409 196 V HA 0.277 4.418 4.120 0.035 0.000 0.291 196 V C -0.737 175.279 176.094 -0.131 0.000 1.020 196 V CA -0.609 61.595 62.300 -0.160 0.000 0.848 196 V CB 1.591 33.183 31.823 -0.385 0.000 0.990 196 V HN 0.779 nan 8.190 nan 0.000 0.430 197 D N 5.767 126.116 120.400 -0.085 0.000 2.456 197 D HA 0.251 4.912 4.640 0.035 0.000 0.219 197 D C 0.750 177.044 176.300 -0.011 0.000 1.126 197 D CA -0.455 53.527 54.000 -0.029 0.000 0.890 197 D CB 1.148 42.008 40.800 0.101 0.000 1.025 197 D HN 0.604 nan 8.370 nan 0.000 0.511 198 M N 1.764 121.312 119.600 -0.086 0.000 2.493 198 M HA 0.383 4.884 4.480 0.035 0.000 0.244 198 M C 1.389 177.646 176.300 -0.073 0.000 1.182 198 M CA -0.427 54.828 55.300 -0.076 0.000 0.981 198 M CB 0.719 33.220 32.600 -0.164 0.000 1.551 198 M HN 0.133 nan 8.290 nan 0.000 0.476 199 A N 1.249 124.023 122.820 -0.076 0.000 1.896 199 A HA -0.250 4.091 4.320 0.035 0.000 0.220 199 A C 2.113 179.610 177.584 -0.146 0.000 1.206 199 A CA 2.204 54.156 52.037 -0.142 0.000 0.647 199 A CB -1.402 17.487 19.000 -0.185 0.000 0.828 199 A HN 0.754 nan 8.150 nan 0.000 0.455 200 H N -0.492 118.536 119.070 -0.070 0.000 2.389 200 H HA -0.049 4.529 4.556 0.037 0.000 0.299 200 H C 1.888 177.089 175.328 -0.213 0.000 1.081 200 H CA 1.818 57.841 56.048 -0.041 0.000 1.345 200 H CB -0.030 29.831 29.762 0.165 0.000 1.393 200 H HN 0.736 nan 8.280 nan 0.000 0.520 201 I N -2.765 117.786 120.570 -0.031 0.000 3.976 201 I HA 0.349 4.540 4.170 0.035 0.000 0.337 201 I C 2.175 178.274 176.117 -0.030 0.000 1.359 201 I CA 0.204 61.447 61.300 -0.096 0.000 1.098 201 I CB 0.200 38.117 38.000 -0.137 0.000 1.027 201 I HN -0.093 nan 8.210 nan 0.000 0.394 202 A N 2.172 124.981 122.820 -0.017 0.000 1.940 202 A HA -0.054 4.287 4.320 0.035 0.000 0.219 202 A C 2.333 180.087 177.584 0.284 0.000 1.176 202 A CA 2.007 54.094 52.037 0.084 0.000 0.631 202 A CB -1.375 17.622 19.000 -0.005 0.000 0.814 202 A HN 0.543 nan 8.150 nan 0.000 0.446 203 G N -0.163 108.778 108.800 0.235 0.000 2.402 203 G HA2 -0.136 3.845 3.960 0.035 0.000 0.216 203 G HA3 -0.136 3.845 3.960 0.035 0.000 0.216 203 G C 1.536 176.643 174.900 0.344 0.000 1.162 203 G CA 0.999 46.351 45.100 0.420 0.000 0.777 203 G HN 0.450 nan 8.290 nan 0.000 0.539 204 L N 0.296 121.621 121.223 0.170 0.000 2.046 204 L HA -0.085 4.276 4.340 0.035 0.000 0.208 204 L C 2.974 179.979 176.870 0.224 0.000 1.077 204 L CA 0.489 55.418 54.840 0.148 0.000 0.747 204 L CB -0.808 41.325 42.059 0.123 0.000 0.896 204 L HN 0.066 nan 8.230 nan 0.000 0.432 205 V N 0.602 120.675 119.914 0.264 0.000 2.287 205 V HA -0.338 3.803 4.120 0.035 0.000 0.248 205 V C 2.869 179.130 176.094 0.278 0.000 1.053 205 V CA 1.990 64.484 62.300 0.323 0.000 1.027 205 V CB -0.989 31.047 31.823 0.356 0.000 0.646 205 V HN 0.505 nan 8.190 nan 0.000 0.447 206 A N -0.189 122.787 122.820 0.260 0.000 1.940 206 A HA -0.113 4.228 4.320 0.035 0.000 0.219 206 A C 2.192 179.822 177.584 0.078 0.000 1.176 206 A CA 2.094 54.101 52.037 -0.049 0.000 0.631 206 A CB -0.601 18.304 19.000 -0.157 0.000 0.814 206 A HN 0.653 nan 8.150 nan 0.000 0.446 207 A N -1.927 121.015 122.820 0.204 0.000 2.251 207 A HA 0.432 4.773 4.320 0.035 0.000 0.209 207 A C 1.696 179.344 177.584 0.108 0.000 1.187 207 A CA 1.086 53.224 52.037 0.168 0.000 0.823 207 A CB -0.932 18.149 19.000 0.135 0.000 0.846 207 A HN 1.913 nan 8.150 nan 0.000 0.486 208 G N -0.855 108.017 108.800 0.120 0.000 2.160 208 G HA2 -0.245 3.736 3.960 0.035 0.000 0.251 208 G HA3 -0.245 3.736 3.960 0.035 0.000 0.251 208 G C 0.544 175.508 174.900 0.108 0.000 1.008 208 G CA 0.570 45.736 45.100 0.111 0.000 0.724 208 G HN 0.541 nan 8.290 nan 0.000 0.514 209 L N -0.616 120.684 121.223 0.129 0.000 2.616 209 L HA 0.363 4.724 4.340 0.035 0.000 0.229 209 L C 0.943 177.911 176.870 0.164 0.000 1.110 209 L CA -0.159 54.746 54.840 0.109 0.000 0.884 209 L CB 0.256 42.359 42.059 0.073 0.000 1.115 209 L HN 0.402 nan 8.230 nan 0.000 0.481 210 H N 0.636 119.779 119.070 0.122 0.000 2.806 210 H HA 0.374 4.952 4.556 0.036 0.000 0.367 210 H C -2.683 172.764 175.328 0.197 0.000 1.136 210 H CA -1.901 54.239 56.048 0.152 0.000 1.178 210 H CB 2.745 32.618 29.762 0.185 0.000 1.718 210 H HN -0.249 nan 8.280 nan 0.000 0.540 211 P HA -0.047 nan 4.420 nan 0.000 0.265 211 P C -0.217 177.445 177.300 0.603 0.000 1.187 211 P CA 0.094 63.387 63.100 0.322 0.000 0.766 211 P CB 0.517 32.328 31.700 0.185 0.000 0.820 212 N N 3.775 122.737 118.700 0.436 0.000 2.422 212 N HA 0.109 4.870 4.740 0.035 0.000 0.264 212 N C -1.557 174.128 175.510 0.292 0.000 1.063 212 N CA -2.276 50.977 53.050 0.339 0.000 0.959 212 N CB 0.446 39.077 38.487 0.239 0.000 1.087 212 N HN 0.215 nan 8.380 nan 0.000 0.483 213 P HA -0.047 nan 4.420 nan 0.000 0.236 213 P C 1.290 178.511 177.300 -0.132 0.000 1.177 213 P CA 0.316 63.156 63.100 -0.434 0.000 0.773 213 P CB 0.527 31.501 31.700 -1.210 0.000 0.878 214 V N 1.997 121.862 119.914 -0.082 0.000 2.282 214 V HA -0.168 3.973 4.120 0.035 0.000 0.249 214 V C -0.260 175.776 176.094 -0.097 0.000 1.057 214 V CA 2.611 64.865 62.300 -0.076 0.000 1.032 214 V CB -2.500 29.310 31.823 -0.022 0.000 0.645 214 V HN 0.217 nan 8.190 nan 0.000 0.447 215 P HA -0.084 nan 4.420 nan 0.000 0.226 215 P C 0.884 177.925 177.300 -0.433 0.000 1.153 215 P CA 1.345 64.255 63.100 -0.317 0.000 0.777 215 P CB -0.055 31.365 31.700 -0.467 0.000 0.794 216 Y N -1.007 119.267 120.300 -0.043 0.000 2.524 216 Y HA 0.421 4.992 4.550 0.034 0.000 0.270 216 Y C 1.375 177.204 175.900 -0.118 0.000 1.094 216 Y CA -0.286 57.793 58.100 -0.034 0.000 1.276 216 Y CB -0.361 38.151 38.460 0.087 0.000 1.130 216 Y HN -0.203 nan 8.280 nan 0.000 0.536 217 A N -0.604 122.199 122.820 -0.029 0.000 2.306 217 A HA 0.376 4.717 4.320 0.035 0.000 0.314 217 A C -0.032 177.424 177.584 -0.213 0.000 1.164 217 A CA -0.410 51.569 52.037 -0.097 0.000 0.822 217 A CB 0.292 19.235 19.000 -0.096 0.000 1.130 217 A HN 0.462 nan 8.150 nan 0.000 0.496 218 H N 0.881 119.868 119.070 -0.138 0.000 2.389 218 H HA 0.104 4.681 4.556 0.035 0.000 0.299 218 H C -0.656 174.144 175.328 -0.879 0.000 1.081 218 H CA 2.073 57.834 56.048 -0.479 0.000 1.345 218 H CB -0.041 29.283 29.762 -0.730 0.000 1.393 218 H HN 0.578 nan 8.280 nan 0.000 0.520 219 F N -0.439 119.522 119.950 0.018 0.000 2.556 219 F HA 0.483 5.031 4.527 0.034 0.000 0.314 219 F C -0.856 174.891 175.800 -0.088 0.000 1.106 219 F CA -1.213 56.751 58.000 -0.059 0.000 0.911 219 F CB 1.880 40.801 39.000 -0.131 0.000 1.190 219 F HN -0.335 nan 8.300 nan 0.000 0.448 220 V N 1.754 121.698 119.914 0.050 0.000 2.487 220 V HA 0.603 4.744 4.120 0.035 0.000 0.298 220 V C -0.209 175.833 176.094 -0.086 0.000 1.028 220 V CA -0.708 61.544 62.300 -0.080 0.000 0.860 220 V CB 1.959 33.669 31.823 -0.188 0.000 0.991 220 V HN 0.898 nan 8.190 nan 0.000 0.427 221 T N 0.781 115.274 114.554 -0.101 0.000 2.945 221 T HA 0.836 5.207 4.350 0.035 0.000 0.286 221 T C -0.314 174.300 174.700 -0.143 0.000 1.025 221 T CA -0.673 61.363 62.100 -0.106 0.000 1.039 221 T CB 2.121 70.935 68.868 -0.090 0.000 1.068 221 T HN 0.735 nan 8.240 nan 0.000 0.497 222 T N 0.524 114.998 114.554 -0.134 0.000 2.830 222 T HA 0.568 4.939 4.350 0.035 0.000 0.322 222 T C -0.662 173.971 174.700 -0.111 0.000 1.501 222 T CA -0.436 61.573 62.100 -0.152 0.000 1.036 222 T CB 1.340 70.072 68.868 -0.227 0.000 1.379 222 T HN 1.177 nan 8.240 nan 0.000 0.493 223 T N 0.233 114.690 114.554 -0.161 0.000 2.899 223 T HA 0.420 4.791 4.350 0.035 0.000 0.284 223 T C 1.568 176.225 174.700 -0.072 0.000 1.004 223 T CA 0.195 62.189 62.100 -0.176 0.000 1.043 223 T CB 1.006 69.508 68.868 -0.610 0.000 1.013 223 T HN 0.770 nan 8.240 nan 0.000 0.518 224 T N -2.183 112.421 114.554 0.084 0.000 3.051 224 T HA 0.035 4.406 4.350 0.035 0.000 0.255 224 T C 1.085 175.878 174.700 0.155 0.000 1.085 224 T CA 0.188 62.396 62.100 0.180 0.000 1.109 224 T CB -0.544 68.445 68.868 0.201 0.000 0.921 224 T HN 0.898 nan 8.240 nan 0.000 0.488 225 H N 1.386 120.466 119.070 0.016 0.000 2.408 225 H HA 0.575 5.154 4.556 0.039 0.000 0.345 225 H C 0.508 175.819 175.328 -0.027 0.000 1.547 225 H CA -0.439 55.605 56.048 -0.007 0.000 1.447 225 H CB 0.518 30.261 29.762 -0.031 0.000 1.686 225 H HN 0.201 nan 8.280 nan 0.000 0.625 226 K N -2.061 118.314 120.400 -0.042 0.000 5.203 226 K HA -0.221 4.120 4.320 0.035 0.000 0.375 226 K C 1.451 178.036 176.600 -0.025 0.000 1.724 226 K CA 1.088 57.294 56.287 -0.135 0.000 0.812 226 K CB -1.895 30.389 32.500 -0.360 0.000 1.079 226 K HN 0.797 nan 8.250 nan 0.000 0.516 227 T N 0.011 114.524 114.554 -0.068 0.000 2.915 227 T HA -0.084 4.287 4.350 0.035 0.000 0.269 227 T C 1.723 176.593 174.700 0.284 0.000 1.071 227 T CA 1.589 63.716 62.100 0.046 0.000 1.132 227 T CB -0.051 68.734 68.868 -0.138 0.000 0.878 227 T HN 0.331 nan 8.240 nan 0.000 0.479 228 L N 1.142 122.498 121.223 0.222 0.000 2.362 228 L HA 0.315 4.676 4.340 0.035 0.000 0.219 228 L C 1.682 178.700 176.870 0.246 0.000 1.134 228 L CA 1.143 56.149 54.840 0.276 0.000 0.807 228 L CB -1.106 41.073 42.059 0.202 0.000 0.927 228 L HN 0.477 nan 8.230 nan 0.000 0.447 229 R N -1.291 119.339 120.500 0.216 0.000 3.656 229 R HA -0.146 4.215 4.340 0.035 0.000 0.297 229 R C 0.494 176.854 176.300 0.100 0.000 1.166 229 R CA 0.397 56.600 56.100 0.171 0.000 0.799 229 R CB -1.785 28.661 30.300 0.242 0.000 1.285 229 R HN 0.560 nan 8.270 nan 0.000 0.477 230 G N 0.131 108.989 108.800 0.098 0.000 2.642 230 G HA2 0.675 4.656 3.960 0.035 0.000 0.291 230 G HA3 0.675 4.656 3.960 0.035 0.000 0.291 230 G C -2.545 172.383 174.900 0.046 0.000 1.345 230 G CA -0.939 44.187 45.100 0.043 0.000 1.043 230 G HN 0.122 nan 8.290 nan 0.000 0.528 231 P HA 0.181 nan 4.420 nan 0.000 0.274 231 P C -0.549 176.746 177.300 -0.007 0.000 1.246 231 P CA -0.382 62.702 63.100 -0.028 0.000 0.795 231 P CB 0.991 32.647 31.700 -0.073 0.000 1.006 232 R N 0.427 120.851 120.500 -0.126 0.000 2.421 232 R HA 0.515 4.876 4.340 0.035 0.000 0.305 232 R C 0.796 177.049 176.300 -0.078 0.000 1.039 232 R CA 0.658 56.572 56.100 -0.309 0.000 1.003 232 R CB -0.168 29.858 30.300 -0.458 0.000 0.959 232 R HN 0.813 nan 8.270 nan 0.000 0.427 233 G N 0.772 109.643 108.800 0.119 0.000 2.320 233 G HA2 0.410 4.391 3.960 0.035 0.000 0.296 233 G HA3 0.410 4.391 3.960 0.035 0.000 0.296 233 G C -1.337 173.662 174.900 0.165 0.000 1.306 233 G CA -0.395 44.774 45.100 0.116 0.000 0.836 233 G HN 0.697 nan 8.290 nan 0.000 0.517 234 G N -1.323 107.537 108.800 0.099 0.000 2.600 234 G HA2 0.822 4.803 3.960 0.035 0.000 0.303 234 G HA3 0.822 4.803 3.960 0.035 0.000 0.303 234 G C -0.773 174.163 174.900 0.060 0.000 1.253 234 G CA -0.379 44.760 45.100 0.063 0.000 0.974 234 G HN 1.180 nan 8.290 nan 0.000 0.483 235 M N -0.096 119.520 119.600 0.027 0.000 2.534 235 M HA 0.636 5.137 4.480 0.035 0.000 0.280 235 M C -2.097 174.187 176.300 -0.027 0.000 1.217 235 M CA -0.677 54.638 55.300 0.025 0.000 0.893 235 M CB 2.243 34.879 32.600 0.061 0.000 1.730 235 M HN 0.404 nan 8.290 nan 0.000 0.483 236 I N 4.174 124.737 120.570 -0.012 0.000 2.509 236 I HA 0.514 4.705 4.170 0.035 0.000 0.293 236 I C -1.315 174.798 176.117 -0.008 0.000 1.020 236 I CA -0.736 60.560 61.300 -0.006 0.000 1.088 236 I CB 2.080 40.106 38.000 0.043 0.000 1.267 236 I HN 0.599 nan 8.210 nan 0.000 0.430 237 L N 5.910 127.122 121.223 -0.017 0.000 2.346 237 L HA 0.825 5.186 4.340 0.035 0.000 0.274 237 L C -0.611 176.310 176.870 0.085 0.000 1.007 237 L CA -0.612 54.225 54.840 -0.006 0.000 0.818 237 L CB 1.961 43.959 42.059 -0.101 0.000 1.284 237 L HN 0.827 nan 8.230 nan 0.000 0.424 238 C N -0.255 119.130 119.300 0.140 0.000 3.275 238 C HA 0.451 4.932 4.460 0.035 0.000 0.340 238 C C -0.875 174.214 174.990 0.166 0.000 1.366 238 C CA -1.048 58.074 59.018 0.172 0.000 1.227 238 C CB 1.754 29.681 27.740 0.311 0.000 1.512 238 C HN 0.872 nan 8.230 nan 0.000 0.461 239 Q N 0.956 120.844 119.800 0.146 0.000 2.368 239 Q HA 0.263 4.624 4.340 0.035 0.000 0.237 239 Q C 0.676 176.675 176.000 -0.002 0.000 0.987 239 Q CA 0.040 55.869 55.803 0.043 0.000 0.896 239 Q CB 0.901 29.618 28.738 -0.035 0.000 1.241 239 Q HN 0.848 nan 8.270 nan 0.000 0.485 240 E N 1.286 121.456 120.200 -0.050 0.000 2.130 240 E HA -0.249 4.122 4.350 0.035 0.000 0.196 240 E C 1.956 178.448 176.600 -0.180 0.000 0.998 240 E CA 2.117 58.461 56.400 -0.094 0.000 0.806 240 E CB 0.012 29.668 29.700 -0.073 0.000 0.738 240 E HN 0.687 nan 8.360 nan 0.000 0.459 241 Q N -0.798 118.827 119.800 -0.291 0.000 2.234 241 Q HA -0.183 4.178 4.340 0.035 0.000 0.206 241 Q C 1.312 177.039 176.000 -0.455 0.000 0.980 241 Q CA 1.361 56.899 55.803 -0.441 0.000 0.869 241 Q CB -0.491 27.870 28.738 -0.629 0.000 0.912 241 Q HN 0.414 nan 8.270 nan 0.000 0.436 242 F N 0.323 120.263 119.950 -0.018 0.000 2.695 242 F HA 0.447 4.995 4.527 0.035 0.000 0.303 242 F C 2.237 178.026 175.800 -0.017 0.000 1.091 242 F CA -0.242 57.785 58.000 0.044 0.000 1.300 242 F CB -0.282 38.810 39.000 0.153 0.000 1.071 242 F HN 0.071 nan 8.300 nan 0.000 0.578 243 A N 0.813 123.595 122.820 -0.063 0.000 1.873 243 A HA -0.278 4.063 4.320 0.035 0.000 0.218 243 A C 2.349 179.747 177.584 -0.310 0.000 1.193 243 A CA 2.174 53.933 52.037 -0.463 0.000 0.629 243 A CB -0.692 17.758 19.000 -0.916 0.000 0.826 243 A HN 0.324 nan 8.150 nan 0.000 0.447 244 K N -0.702 119.587 120.400 -0.185 0.000 2.032 244 K HA -0.239 4.102 4.320 0.035 0.000 0.209 244 K C 2.317 178.906 176.600 -0.018 0.000 1.048 244 K CA 1.927 58.153 56.287 -0.103 0.000 0.927 244 K CB -0.218 32.247 32.500 -0.058 0.000 0.712 244 K HN 0.650 nan 8.250 nan 0.000 0.441 245 Q N 0.111 119.938 119.800 0.045 0.000 2.079 245 Q HA -0.122 4.239 4.340 0.035 0.000 0.200 245 Q C 2.121 178.178 176.000 0.094 0.000 0.974 245 Q CA 1.246 57.101 55.803 0.086 0.000 0.840 245 Q CB -0.005 28.814 28.738 0.134 0.000 0.898 245 Q HN 0.306 nan 8.270 nan 0.000 0.430 246 I N 1.339 121.979 120.570 0.117 0.000 2.179 246 I HA -0.254 3.937 4.170 0.035 0.000 0.242 246 I C 1.552 177.742 176.117 0.122 0.000 1.088 246 I CA 1.455 62.829 61.300 0.123 0.000 1.357 246 I CB -0.972 37.151 38.000 0.206 0.000 1.051 246 I HN 0.236 nan 8.210 nan 0.000 0.409 247 D N 0.968 121.405 120.400 0.061 0.000 2.123 247 D HA -0.183 4.478 4.640 0.035 0.000 0.196 247 D C 2.201 178.620 176.300 0.199 0.000 0.992 247 D CA 1.213 55.207 54.000 -0.009 0.000 0.833 247 D CB -0.160 40.362 40.800 -0.463 0.000 0.954 247 D HN 0.334 nan 8.370 nan 0.000 0.455 248 K N 0.365 120.853 120.400 0.147 0.000 2.148 248 K HA 0.020 4.361 4.320 0.035 0.000 0.204 248 K C 2.072 178.783 176.600 0.186 0.000 1.050 248 K CA 0.817 57.211 56.287 0.178 0.000 0.942 248 K CB 0.022 32.594 32.500 0.120 0.000 0.724 248 K HN 0.025 nan 8.250 nan 0.000 0.446 249 A N 1.652 124.592 122.820 0.200 0.000 1.902 249 A HA -0.156 4.185 4.320 0.035 0.000 0.217 249 A C 2.040 179.694 177.584 0.117 0.000 1.181 249 A CA 1.181 53.370 52.037 0.253 0.000 0.623 249 A CB -0.353 18.786 19.000 0.232 0.000 0.818 249 A HN 0.087 nan 8.150 nan 0.000 0.443 250 I N -2.727 117.938 120.570 0.158 0.000 2.202 250 I HA 0.030 4.221 4.170 0.035 0.000 0.242 250 I C 0.510 176.753 176.117 0.210 0.000 1.091 250 I CA 1.272 62.658 61.300 0.144 0.000 1.368 250 I CB -0.551 37.572 38.000 0.206 0.000 1.058 250 I HN 0.339 nan 8.210 nan 0.000 0.410 251 F N 2.438 122.484 119.950 0.160 0.000 2.588 251 F HA 0.407 4.956 4.527 0.038 0.000 0.318 251 F C -2.221 173.699 175.800 0.200 0.000 1.155 251 F CA -1.856 56.218 58.000 0.124 0.000 0.967 251 F CB 1.942 40.974 39.000 0.052 0.000 1.236 251 F HN -0.245 nan 8.300 nan 0.000 0.455 252 P HA 0.166 nan 4.420 nan 0.000 0.255 252 P C 0.998 178.075 177.300 -0.371 0.000 1.301 252 P CA 0.565 63.046 63.100 -1.032 0.000 0.817 252 P CB 0.336 31.491 31.700 -0.907 0.000 1.259 253 G N 2.211 110.910 108.800 -0.168 0.000 2.484 253 G HA2 -0.196 3.784 3.960 0.035 0.000 0.215 253 G HA3 -0.196 3.784 3.960 0.035 0.000 0.215 253 G C 1.326 175.954 174.900 -0.453 0.000 1.219 253 G CA 1.162 46.141 45.100 -0.202 0.000 0.791 253 G HN 0.441 nan 8.290 nan 0.000 0.550 254 I N -3.650 116.715 120.570 -0.341 0.000 4.471 254 I HA 0.427 4.618 4.170 0.035 0.000 0.326 254 I C 0.683 176.721 176.117 -0.131 0.000 1.300 254 I CA -0.202 60.899 61.300 -0.332 0.000 1.237 254 I CB 0.502 38.265 38.000 -0.394 0.000 1.195 254 I HN 0.052 nan 8.210 nan 0.000 0.427 255 Q N 1.086 120.872 119.800 -0.023 0.000 2.418 255 Q HA 0.648 5.009 4.340 0.035 0.000 0.276 255 Q C 0.020 176.185 176.000 0.275 0.000 1.081 255 Q CA -0.434 55.420 55.803 0.086 0.000 0.864 255 Q CB 2.233 30.942 28.738 -0.049 0.000 1.384 255 Q HN 0.277 nan 8.270 nan 0.000 0.467 256 G N -0.403 108.578 108.800 0.302 0.000 3.434 256 G HA2 0.448 4.429 3.960 0.035 0.000 0.197 256 G HA3 0.448 4.429 3.960 0.035 0.000 0.197 256 G C -0.172 174.827 174.900 0.166 0.000 1.559 256 G CA -0.138 45.196 45.100 0.390 0.000 0.852 256 G HN 0.584 nan 8.290 nan 0.000 0.682 257 G N 1.639 110.574 108.800 0.225 0.000 2.380 257 G HA2 0.476 4.457 3.960 0.035 0.000 0.242 257 G HA3 0.476 4.457 3.960 0.035 0.000 0.242 257 G C -2.077 172.901 174.900 0.130 0.000 1.298 257 G CA -0.301 44.896 45.100 0.162 0.000 0.878 257 G HN 0.398 nan 8.290 nan 0.000 0.542 258 P HA 0.215 nan 4.420 nan 0.000 0.276 258 P C -0.214 177.154 177.300 0.113 0.000 1.252 258 P CA -0.549 62.580 63.100 0.048 0.000 0.802 258 P CB 1.298 32.946 31.700 -0.086 0.000 1.035 259 L N 2.445 123.732 121.223 0.106 0.000 2.356 259 L HA 0.157 4.518 4.340 0.035 0.000 0.282 259 L C 1.788 178.608 176.870 -0.084 0.000 1.132 259 L CA -0.486 54.348 54.840 -0.009 0.000 0.923 259 L CB -0.014 41.944 42.059 -0.169 0.000 1.278 259 L HN 0.229 nan 8.230 nan 0.000 0.436 260 M N 1.466 121.119 119.600 0.089 0.000 2.229 260 M HA -0.126 4.375 4.480 0.035 0.000 0.264 260 M C 2.365 178.700 176.300 0.059 0.000 1.063 260 M CA 1.425 56.761 55.300 0.061 0.000 1.114 260 M CB -1.038 31.611 32.600 0.081 0.000 1.387 260 M HN 0.644 nan 8.290 nan 0.000 0.420 261 H N -0.657 118.406 119.070 -0.011 0.000 2.387 261 H HA 0.017 4.583 4.556 0.017 0.000 0.299 261 H C 2.068 177.378 175.328 -0.030 0.000 1.090 261 H CA 1.445 57.481 56.048 -0.020 0.000 1.332 261 H CB -1.415 28.335 29.762 -0.020 0.000 1.386 261 H HN 0.240 nan 8.280 nan 0.000 0.516 262 V N 1.581 121.198 119.914 -0.494 0.000 2.453 262 V HA -0.159 3.982 4.120 0.035 0.000 0.247 262 V C 2.967 178.951 176.094 -0.184 0.000 1.048 262 V CA 1.339 63.451 62.300 -0.313 0.000 1.049 262 V CB -0.531 31.091 31.823 -0.334 0.000 0.672 262 V HN 0.245 nan 8.190 nan 0.000 0.457 263 I N 0.649 121.130 120.570 -0.147 0.000 2.226 263 I HA -0.239 3.952 4.170 0.035 0.000 0.245 263 I C 2.704 178.751 176.117 -0.116 0.000 1.100 263 I CA 1.398 62.634 61.300 -0.106 0.000 1.374 263 I CB -0.578 37.390 38.000 -0.053 0.000 1.057 263 I HN 0.293 nan 8.210 nan 0.000 0.413 264 A N 0.904 123.678 122.820 -0.076 0.000 1.892 264 A HA -0.250 4.091 4.320 0.035 0.000 0.218 264 A C 2.547 180.064 177.584 -0.113 0.000 1.188 264 A CA 2.149 54.147 52.037 -0.065 0.000 0.631 264 A CB -0.907 18.084 19.000 -0.014 0.000 0.822 264 A HN 0.449 nan 8.150 nan 0.000 0.447 265 A N -0.444 122.304 122.820 -0.121 0.000 1.933 265 A HA -0.154 4.187 4.320 0.035 0.000 0.218 265 A C 2.094 179.527 177.584 -0.252 0.000 1.175 265 A CA 1.791 53.744 52.037 -0.140 0.000 0.628 265 A CB -0.418 18.518 19.000 -0.106 0.000 0.814 265 A HN 0.577 nan 8.150 nan 0.000 0.444 266 K N -0.227 119.968 120.400 -0.342 0.000 2.032 266 K HA -0.113 4.228 4.320 0.035 0.000 0.209 266 K C 2.360 178.337 176.600 -1.038 0.000 1.048 266 K CA 1.234 57.093 56.287 -0.713 0.000 0.927 266 K CB -0.397 31.751 32.500 -0.586 0.000 0.712 266 K HN 0.433 nan 8.250 nan 0.000 0.441 267 A N 1.196 123.692 122.820 -0.539 0.000 1.883 267 A HA -0.163 4.178 4.320 0.035 0.000 0.217 267 A C 2.428 179.882 177.584 -0.216 0.000 1.186 267 A CA 1.763 53.626 52.037 -0.291 0.000 0.624 267 A CB -0.840 18.097 19.000 -0.105 0.000 0.822 267 A HN 0.090 nan 8.150 nan 0.000 0.444 268 V N -0.182 119.615 119.914 -0.195 0.000 2.295 268 V HA -0.269 3.872 4.120 0.035 0.000 0.246 268 V C 3.066 179.087 176.094 -0.122 0.000 1.049 268 V CA 2.069 64.298 62.300 -0.118 0.000 1.024 268 V CB -1.369 30.401 31.823 -0.089 0.000 0.648 268 V HN 0.637 nan 8.190 nan 0.000 0.447 269 A N -0.414 122.286 122.820 -0.199 0.000 1.902 269 A HA -0.183 4.158 4.320 0.035 0.000 0.217 269 A C 2.144 179.711 177.584 -0.029 0.000 1.181 269 A CA 1.885 53.840 52.037 -0.137 0.000 0.623 269 A CB -0.773 18.136 19.000 -0.153 0.000 0.818 269 A HN 0.548 nan 8.150 nan 0.000 0.443 270 F N 0.023 119.910 119.950 -0.105 0.000 2.134 270 F HA -0.115 4.440 4.527 0.047 0.000 0.299 270 F C 2.743 178.454 175.800 -0.149 0.000 1.097 270 F CA 0.259 58.178 58.000 -0.136 0.000 1.264 270 F CB -0.626 38.330 39.000 -0.074 0.000 1.001 270 F HN 0.368 nan 8.300 nan 0.000 0.479 271 G N 0.372 109.213 108.800 0.069 0.000 2.446 271 G HA2 -0.258 3.723 3.960 0.035 0.000 0.217 271 G HA3 -0.258 3.723 3.960 0.035 0.000 0.217 271 G C 1.371 176.259 174.900 -0.019 0.000 1.168 271 G CA 1.003 46.112 45.100 0.014 0.000 0.771 271 G HN 0.354 nan 8.290 nan 0.000 0.551 272 E N 0.536 120.712 120.200 -0.040 0.000 2.077 272 E HA -0.052 4.319 4.350 0.035 0.000 0.193 272 E C 2.870 179.402 176.600 -0.113 0.000 0.989 272 E CA 0.814 57.190 56.400 -0.040 0.000 0.800 272 E CB -0.201 29.481 29.700 -0.030 0.000 0.746 272 E HN 0.431 nan 8.360 nan 0.000 0.452 273 A N 0.869 123.485 122.820 -0.340 0.000 2.067 273 A HA -0.076 4.265 4.320 0.035 0.000 0.219 273 A C 2.072 179.502 177.584 -0.257 0.000 1.158 273 A CA 0.701 52.290 52.037 -0.746 0.000 0.661 273 A CB -0.366 18.074 19.000 -0.933 0.000 0.801 273 A HN 0.132 nan 8.150 nan 0.000 0.452 274 L N -0.486 120.658 121.223 -0.133 0.000 2.376 274 L HA -0.076 4.285 4.340 0.035 0.000 0.219 274 L C 0.915 177.792 176.870 0.012 0.000 1.133 274 L CA 0.236 55.040 54.840 -0.060 0.000 0.816 274 L CB -0.265 41.764 42.059 -0.050 0.000 0.933 274 L HN 0.485 nan 8.230 nan 0.000 0.449 275 Q N -0.122 119.707 119.800 0.048 0.000 2.340 275 Q HA -0.021 4.340 4.340 0.035 0.000 0.249 275 Q C 0.469 176.546 176.000 0.128 0.000 0.957 275 Q CA -0.558 55.294 55.803 0.082 0.000 0.882 275 Q CB 0.914 29.704 28.738 0.086 0.000 1.235 275 Q HN 0.037 nan 8.270 nan 0.000 0.439 276 D N 1.666 122.124 120.400 0.096 0.000 2.158 276 D HA -0.195 4.466 4.640 0.035 0.000 0.197 276 D C 1.283 177.655 176.300 0.121 0.000 0.995 276 D CA 1.651 55.709 54.000 0.097 0.000 0.846 276 D CB -0.140 40.699 40.800 0.066 0.000 0.941 276 D HN 0.670 nan 8.370 nan 0.000 0.456 277 D N -0.072 120.403 120.400 0.126 0.000 2.219 277 D HA -0.188 4.473 4.640 0.035 0.000 0.205 277 D C 1.953 178.366 176.300 0.188 0.000 0.970 277 D CA 0.316 54.395 54.000 0.130 0.000 0.851 277 D CB -0.982 39.881 40.800 0.104 0.000 0.943 277 D HN 0.272 nan 8.370 nan 0.000 0.488 278 F N 1.186 121.197 119.950 0.103 0.000 2.146 278 F HA -0.030 4.518 4.527 0.034 0.000 0.298 278 F C 1.993 177.905 175.800 0.187 0.000 1.096 278 F CA 1.130 59.230 58.000 0.168 0.000 1.275 278 F CB 0.053 39.125 39.000 0.120 0.000 1.008 278 F HN -0.240 nan 8.300 nan 0.000 0.480 279 K N 0.695 121.216 120.400 0.201 0.000 2.063 279 K HA -0.116 4.225 4.320 0.035 0.000 0.208 279 K C 2.275 178.865 176.600 -0.016 0.000 1.048 279 K CA 1.451 57.785 56.287 0.078 0.000 0.928 279 K CB -1.003 31.559 32.500 0.103 0.000 0.713 279 K HN 0.330 nan 8.250 nan 0.000 0.442 280 A N 0.029 122.864 122.820 0.024 0.000 1.877 280 A HA -0.212 4.129 4.320 0.035 0.000 0.216 280 A C 2.163 179.734 177.584 -0.021 0.000 1.186 280 A CA 1.653 53.698 52.037 0.013 0.000 0.620 280 A CB -0.955 18.075 19.000 0.049 0.000 0.822 280 A HN 0.440 nan 8.150 nan 0.000 0.443 281 Y N 0.904 121.117 120.300 -0.144 0.000 2.081 281 Y HA -0.200 4.373 4.550 0.040 0.000 0.280 281 Y C 2.594 178.341 175.900 -0.256 0.000 1.163 281 Y CA 1.637 59.617 58.100 -0.200 0.000 1.135 281 Y CB -0.848 37.447 38.460 -0.276 0.000 0.970 281 Y HN 0.288 nan 8.280 nan 0.000 0.498 282 A N 0.438 122.818 122.820 -0.734 0.000 1.940 282 A HA -0.229 4.112 4.320 0.035 0.000 0.219 282 A C 2.366 179.727 177.584 -0.372 0.000 1.176 282 A CA 1.978 53.595 52.037 -0.699 0.000 0.631 282 A CB -0.841 17.877 19.000 -0.470 0.000 0.814 282 A HN 0.590 nan 8.150 nan 0.000 0.446 283 K N -0.445 119.819 120.400 -0.227 0.000 2.057 283 K HA -0.119 4.222 4.320 0.035 0.000 0.206 283 K C 2.262 178.790 176.600 -0.120 0.000 1.050 283 K CA 1.146 57.360 56.287 -0.121 0.000 0.935 283 K CB -0.175 32.289 32.500 -0.060 0.000 0.715 283 K HN 0.439 nan 8.250 nan 0.000 0.439 284 R N 0.264 120.679 120.500 -0.141 0.000 2.105 284 R HA -0.114 4.247 4.340 0.035 0.000 0.239 284 R C 2.274 178.497 176.300 -0.129 0.000 1.135 284 R CA 1.416 57.459 56.100 -0.097 0.000 0.967 284 R CB -0.439 29.836 30.300 -0.041 0.000 0.861 284 R HN 0.071 nan 8.270 nan 0.000 0.442 285 V N 0.608 120.354 119.914 -0.280 0.000 2.255 285 V HA -0.247 3.894 4.120 0.035 0.000 0.247 285 V C 2.384 178.426 176.094 -0.087 0.000 1.051 285 V CA 1.844 64.009 62.300 -0.226 0.000 1.018 285 V CB -0.396 31.193 31.823 -0.391 0.000 0.641 285 V HN 0.128 nan 8.190 nan 0.000 0.445 286 V N 0.012 119.877 119.914 -0.082 0.000 2.307 286 V HA -0.220 3.921 4.120 0.035 0.000 0.245 286 V C 2.280 178.366 176.094 -0.013 0.000 1.045 286 V CA 2.081 64.370 62.300 -0.019 0.000 1.024 286 V CB -0.745 31.073 31.823 -0.008 0.000 0.651 286 V HN 0.534 nan 8.190 nan 0.000 0.449 287 D N 0.389 120.775 120.400 -0.024 0.000 2.123 287 D HA -0.155 4.506 4.640 0.035 0.000 0.196 287 D C 2.066 178.368 176.300 0.003 0.000 0.992 287 D CA 1.246 55.241 54.000 -0.008 0.000 0.833 287 D CB -0.404 40.390 40.800 -0.009 0.000 0.954 287 D HN 0.352 nan 8.370 nan 0.000 0.455 288 N N 0.456 119.158 118.700 0.004 0.000 2.142 288 N HA -0.072 4.689 4.740 0.035 0.000 0.186 288 N C 1.720 177.244 175.510 0.023 0.000 1.023 288 N CA 1.250 54.315 53.050 0.026 0.000 0.852 288 N CB -0.411 38.101 38.487 0.042 0.000 0.998 288 N HN 0.129 nan 8.380 nan 0.000 0.424 289 A N 1.419 124.246 122.820 0.013 0.000 1.902 289 A HA -0.153 4.188 4.320 0.035 0.000 0.217 289 A C 2.132 179.718 177.584 0.002 0.000 1.181 289 A CA 1.441 53.481 52.037 0.005 0.000 0.623 289 A CB -0.379 18.622 19.000 0.002 0.000 0.818 289 A HN 0.255 nan 8.150 nan 0.000 0.443 290 K N -1.081 119.321 120.400 0.004 0.000 2.057 290 K HA -0.160 4.181 4.320 0.035 0.000 0.207 290 K C 2.358 178.964 176.600 0.010 0.000 1.049 290 K CA 1.519 57.808 56.287 0.004 0.000 0.931 290 K CB -0.150 32.352 32.500 0.003 0.000 0.714 290 K HN 0.316 nan 8.250 nan 0.000 0.440 291 R N 1.444 121.953 120.500 0.015 0.000 2.081 291 R HA -0.109 4.252 4.340 0.035 0.000 0.235 291 R C 2.073 178.389 176.300 0.027 0.000 1.131 291 R CA 1.086 57.198 56.100 0.021 0.000 0.960 291 R CB -0.688 29.626 30.300 0.024 0.000 0.856 291 R HN 0.119 nan 8.270 nan 0.000 0.436 292 L N 0.207 121.446 121.223 0.026 0.000 2.056 292 L HA 0.075 4.436 4.340 0.035 0.000 0.207 292 L C 2.069 178.952 176.870 0.022 0.000 1.078 292 L CA 2.128 56.985 54.840 0.027 0.000 0.749 292 L CB -1.071 41.002 42.059 0.023 0.000 0.901 292 L HN 0.263 nan 8.230 nan 0.000 0.433 293 A N -1.202 121.626 122.820 0.013 0.000 1.851 293 A HA -0.239 4.102 4.320 0.035 0.000 0.216 293 A C 2.389 179.993 177.584 0.035 0.000 1.195 293 A CA 2.313 54.358 52.037 0.015 0.000 0.622 293 A CB -1.186 17.816 19.000 0.003 0.000 0.831 293 A HN 0.527 nan 8.150 nan 0.000 0.444 294 S N -0.167 115.551 115.700 0.030 0.000 2.370 294 S HA -0.086 4.405 4.470 0.035 0.000 0.226 294 S C 2.264 176.892 174.600 0.047 0.000 1.033 294 S CA 1.329 59.549 58.200 0.034 0.000 1.011 294 S CB -0.516 62.699 63.200 0.024 0.000 0.852 294 S HN 0.828 nan 8.310 nan 0.000 0.457 295 A N 1.100 123.950 122.820 0.049 0.000 1.930 295 A HA 0.058 4.399 4.320 0.035 0.000 0.217 295 A C 2.105 179.750 177.584 0.103 0.000 1.175 295 A CA 0.963 53.037 52.037 0.062 0.000 0.627 295 A CB -0.604 18.428 19.000 0.054 0.000 0.815 295 A HN 0.444 nan 8.150 nan 0.000 0.443 296 L N -0.901 120.392 121.223 0.117 0.000 2.056 296 L HA -0.243 4.118 4.340 0.035 0.000 0.207 296 L C 2.876 179.913 176.870 0.280 0.000 1.078 296 L CA 1.514 56.489 54.840 0.225 0.000 0.749 296 L CB -0.491 41.633 42.059 0.109 0.000 0.901 296 L HN 0.472 nan 8.230 nan 0.000 0.433 297 Q N -0.508 119.385 119.800 0.154 0.000 2.124 297 Q HA -0.228 4.133 4.340 0.035 0.000 0.202 297 Q C 2.019 178.057 176.000 0.063 0.000 0.977 297 Q CA 1.484 57.351 55.803 0.107 0.000 0.850 297 Q CB -0.303 28.476 28.738 0.068 0.000 0.901 297 Q HN 0.498 nan 8.270 nan 0.000 0.429 298 N N 0.496 119.232 118.700 0.060 0.000 2.205 298 N HA -0.187 4.574 4.740 0.035 0.000 0.186 298 N C 1.156 176.675 175.510 0.015 0.000 1.015 298 N CA 0.846 53.916 53.050 0.033 0.000 0.862 298 N CB 0.236 38.744 38.487 0.036 0.000 0.986 298 N HN 0.213 nan 8.380 nan 0.000 0.429 299 E N -0.396 119.830 120.200 0.043 0.000 2.427 299 E HA 0.008 4.379 4.350 0.035 0.000 0.196 299 E C 1.148 177.602 176.600 -0.244 0.000 1.028 299 E CA 0.696 57.078 56.400 -0.029 0.000 0.864 299 E CB 0.050 29.832 29.700 0.137 0.000 0.813 299 E HN 0.603 nan 8.360 nan 0.000 0.514 300 G N 0.704 109.392 108.800 -0.187 0.000 2.184 300 G HA2 -0.223 3.758 3.960 0.035 0.000 0.206 300 G HA3 -0.223 3.758 3.960 0.035 0.000 0.206 300 G C -0.005 174.728 174.900 -0.278 0.000 0.995 300 G CA -0.331 44.621 45.100 -0.247 0.000 0.651 300 G HN 0.126 nan 8.290 nan 0.000 0.511 301 F N 2.090 122.045 119.950 0.008 0.000 2.429 301 F HA 0.543 5.092 4.527 0.036 0.000 0.348 301 F C 1.214 177.020 175.800 0.011 0.000 1.109 301 F CA 0.203 58.208 58.000 0.009 0.000 1.232 301 F CB 1.073 40.078 39.000 0.007 0.000 1.157 301 F HN -0.090 nan 8.300 nan 0.000 0.564 302 T N 4.827 119.509 114.554 0.213 0.000 2.806 302 T HA 0.537 4.908 4.350 0.035 0.000 0.290 302 T C -0.141 174.632 174.700 0.122 0.000 0.966 302 T CA -0.516 61.664 62.100 0.133 0.000 1.060 302 T CB 0.365 69.295 68.868 0.103 0.000 0.927 302 T HN 0.278 nan 8.240 nan 0.000 0.485 303 L N 3.018 124.297 121.223 0.094 0.000 2.317 303 L HA 0.500 4.861 4.340 0.035 0.000 0.281 303 L C 0.140 177.060 176.870 0.083 0.000 1.024 303 L CA -1.326 53.552 54.840 0.062 0.000 0.810 303 L CB 1.595 43.680 42.059 0.043 0.000 1.240 303 L HN 0.319 nan 8.230 nan 0.000 0.427 304 V N 2.800 122.740 119.914 0.044 0.000 2.617 304 V HA -0.075 4.066 4.120 0.035 0.000 0.304 304 V C 1.171 177.372 176.094 0.178 0.000 1.040 304 V CA 1.297 63.636 62.300 0.066 0.000 1.149 304 V CB 0.964 32.716 31.823 -0.118 0.000 0.914 304 V HN 1.177 nan 8.190 nan 0.000 0.487 305 S N 2.598 118.568 115.700 0.450 0.000 2.981 305 S HA -0.224 4.267 4.470 0.035 0.000 0.274 305 S C 1.341 175.981 174.600 0.067 0.000 1.297 305 S CA 1.230 59.538 58.200 0.180 0.000 1.266 305 S CB -1.967 61.277 63.200 0.073 0.000 1.542 305 S HN 2.841 nan 8.310 nan 0.000 0.674 306 G N -0.423 108.425 108.800 0.081 0.000 2.155 306 G HA2 0.300 4.281 3.960 0.035 0.000 0.257 306 G HA3 0.300 4.281 3.960 0.035 0.000 0.257 306 G C 1.030 175.943 174.900 0.022 0.000 0.983 306 G CA 0.664 45.789 45.100 0.041 0.000 0.676 306 G HN 2.637 nan 8.290 nan 0.000 0.528 307 G N -2.718 106.089 108.800 0.012 0.000 2.403 307 G HA2 0.650 4.631 3.960 0.035 0.000 0.223 307 G HA3 0.650 4.631 3.960 0.035 0.000 0.223 307 G C -0.580 174.300 174.900 -0.033 0.000 1.287 307 G CA 0.868 45.964 45.100 -0.006 0.000 0.982 307 G HN 1.850 nan 8.290 nan 0.000 0.471 308 T N -0.918 113.614 114.554 -0.038 0.000 2.932 308 T HA 0.559 4.930 4.350 0.035 0.000 0.318 308 T C -1.107 173.571 174.700 -0.038 0.000 1.265 308 T CA 0.062 62.128 62.100 -0.056 0.000 1.036 308 T CB 1.852 70.686 68.868 -0.057 0.000 1.209 308 T HN 0.306 nan 8.240 nan 0.000 0.484 309 D N 2.133 122.509 120.400 -0.040 0.000 2.398 309 D HA 0.186 4.847 4.640 0.035 0.000 0.210 309 D C 0.693 177.022 176.300 0.049 0.000 1.094 309 D CA 0.280 54.276 54.000 -0.007 0.000 0.839 309 D CB 0.498 41.285 40.800 -0.021 0.000 0.963 309 D HN 0.674 nan 8.370 nan 0.000 0.506 310 N N -0.737 118.000 118.700 0.062 0.000 3.567 310 N HA -0.021 4.740 4.740 0.035 0.000 0.347 310 N C 0.944 176.542 175.510 0.146 0.000 1.553 310 N CA -0.363 52.787 53.050 0.167 0.000 0.636 310 N CB -0.212 38.459 38.487 0.308 0.000 2.483 310 N HN -0.157 nan 8.380 nan 0.000 0.608 311 H N -0.922 118.167 119.070 0.033 0.000 2.548 311 H HA 0.328 4.905 4.556 0.035 0.000 0.265 311 H C 0.039 175.378 175.328 0.018 0.000 0.969 311 H CA -0.078 55.979 56.048 0.016 0.000 1.155 311 H CB -0.470 29.311 29.762 0.032 0.000 1.394 311 H HN 0.519 nan 8.280 nan 0.000 0.570 312 L N -0.250 120.705 121.223 -0.447 0.000 2.350 312 L HA 0.682 5.043 4.340 0.035 0.000 0.260 312 L C -1.179 175.563 176.870 -0.214 0.000 1.015 312 L CA -1.600 53.006 54.840 -0.390 0.000 0.821 312 L CB 2.343 44.050 42.059 -0.587 0.000 1.370 312 L HN 0.013 nan 8.230 nan 0.000 0.416 313 L N 0.066 121.196 121.223 -0.155 0.000 2.376 313 L HA 0.824 5.185 4.340 0.035 0.000 0.258 313 L C -1.510 175.297 176.870 -0.103 0.000 1.013 313 L CA -0.819 53.955 54.840 -0.111 0.000 0.822 313 L CB 2.037 44.050 42.059 -0.077 0.000 1.388 313 L HN 0.674 nan 8.230 nan 0.000 0.413 314 L N 1.966 123.138 121.223 -0.085 0.000 2.349 314 L HA 0.643 5.004 4.340 0.035 0.000 0.278 314 L C -0.872 175.960 176.870 -0.064 0.000 0.996 314 L CA -0.935 53.857 54.840 -0.080 0.000 0.825 314 L CB 2.208 44.219 42.059 -0.081 0.000 1.243 314 L HN 0.503 nan 8.230 nan 0.000 0.412 315 V N 2.063 121.931 119.914 -0.075 0.000 2.461 315 V HA 0.115 4.256 4.120 0.035 0.000 0.275 315 V C -0.090 175.989 176.094 -0.025 0.000 1.047 315 V CA -0.408 61.857 62.300 -0.058 0.000 0.955 315 V CB 1.446 33.180 31.823 -0.148 0.000 0.988 315 V HN 0.605 nan 8.190 nan 0.000 0.471 316 D N 4.721 125.131 120.400 0.017 0.000 2.380 316 D HA 0.217 4.878 4.640 0.035 0.000 0.230 316 D C 0.627 176.969 176.300 0.071 0.000 1.154 316 D CA -0.095 53.920 54.000 0.025 0.000 0.859 316 D CB 1.092 41.909 40.800 0.029 0.000 1.045 316 D HN 0.448 nan 8.370 nan 0.000 0.495 317 L N 3.542 124.801 121.223 0.060 0.000 2.591 317 L HA 0.167 4.528 4.340 0.035 0.000 0.228 317 L C 2.328 179.245 176.870 0.079 0.000 1.133 317 L CA -0.101 54.796 54.840 0.095 0.000 0.880 317 L CB -0.033 42.069 42.059 0.071 0.000 1.033 317 L HN 0.279 nan 8.230 nan 0.000 0.450 318 R N 0.649 121.184 120.500 0.060 0.000 2.103 318 R HA -0.174 4.187 4.340 0.035 0.000 0.242 318 R C -0.396 175.932 176.300 0.046 0.000 1.142 318 R CA 1.564 57.693 56.100 0.048 0.000 0.960 318 R CB -1.472 28.854 30.300 0.043 0.000 0.858 318 R HN 0.316 nan 8.270 nan 0.000 0.439 319 P HA -0.131 nan 4.420 nan 0.000 0.219 319 P C 0.522 177.836 177.300 0.024 0.000 1.146 319 P CA 1.248 64.367 63.100 0.032 0.000 0.808 319 P CB 0.135 31.853 31.700 0.029 0.000 0.779 320 Q N -1.233 118.594 119.800 0.046 0.000 2.360 320 Q HA 0.092 4.453 4.340 0.035 0.000 0.202 320 Q C 0.233 176.259 176.000 0.042 0.000 0.915 320 Q CA 0.165 55.994 55.803 0.043 0.000 0.943 320 Q CB -0.503 28.289 28.738 0.090 0.000 1.064 320 Q HN 0.055 nan 8.270 nan 0.000 0.511 321 Q N -0.292 119.532 119.800 0.039 0.000 2.435 321 Q HA -0.212 4.149 4.340 0.035 0.000 0.312 321 Q C -0.973 175.050 176.000 0.039 0.000 1.333 321 Q CA 0.871 56.694 55.803 0.034 0.000 0.883 321 Q CB -2.080 26.673 28.738 0.025 0.000 1.170 321 Q HN 0.410 nan 8.270 nan 0.000 0.443 322 L N -0.161 121.091 121.223 0.049 0.000 2.342 322 L HA 0.529 4.890 4.340 0.035 0.000 0.271 322 L C 0.990 177.885 176.870 0.040 0.000 1.008 322 L CA -0.744 54.124 54.840 0.047 0.000 0.818 322 L CB 1.896 43.993 42.059 0.062 0.000 1.296 322 L HN 0.135 nan 8.230 nan 0.000 0.427 323 T N -1.778 112.796 114.554 0.033 0.000 2.899 323 T HA 0.247 4.618 4.350 0.035 0.000 0.284 323 T C 1.256 175.969 174.700 0.021 0.000 1.004 323 T CA -0.093 62.024 62.100 0.027 0.000 1.043 323 T CB 1.619 70.504 68.868 0.028 0.000 1.013 323 T HN 0.711 nan 8.240 nan 0.000 0.518 324 G N 0.365 109.172 108.800 0.011 0.000 2.442 324 G HA2 -0.216 3.765 3.960 0.035 0.000 0.219 324 G HA3 -0.216 3.765 3.960 0.035 0.000 0.219 324 G C 1.368 176.270 174.900 0.004 0.000 1.141 324 G CA 0.909 46.008 45.100 -0.002 0.000 0.763 324 G HN 0.850 nan 8.290 nan 0.000 0.554 325 K N -0.192 120.217 120.400 0.015 0.000 2.026 325 K HA -0.101 4.240 4.320 0.035 0.000 0.208 325 K C 2.577 179.190 176.600 0.021 0.000 1.048 325 K CA 1.742 58.043 56.287 0.022 0.000 0.929 325 K CB -0.327 32.194 32.500 0.036 0.000 0.713 325 K HN 0.265 nan 8.250 nan 0.000 0.439 326 T N 0.758 115.325 114.554 0.023 0.000 2.708 326 T HA -0.130 4.241 4.350 0.035 0.000 0.266 326 T C 1.855 176.568 174.700 0.021 0.000 1.037 326 T CA 1.377 63.491 62.100 0.023 0.000 1.146 326 T CB -0.318 68.566 68.868 0.027 0.000 0.865 326 T HN 0.428 nan 8.240 nan 0.000 0.435 327 A N 1.407 124.238 122.820 0.017 0.000 1.877 327 A HA -0.155 4.186 4.320 0.035 0.000 0.216 327 A C 2.222 179.807 177.584 0.000 0.000 1.186 327 A CA 2.011 54.053 52.037 0.010 0.000 0.620 327 A CB -0.745 18.253 19.000 -0.003 0.000 0.822 327 A HN 0.635 nan 8.150 nan 0.000 0.443 328 E N -0.023 120.176 120.200 -0.003 0.000 2.070 328 E HA -0.302 4.069 4.350 0.035 0.000 0.197 328 E C 2.091 178.694 176.600 0.006 0.000 1.004 328 E CA 1.830 58.229 56.400 -0.002 0.000 0.805 328 E CB -0.181 29.518 29.700 -0.001 0.000 0.744 328 E HN 0.636 nan 8.360 nan 0.000 0.451 329 K N 0.183 120.590 120.400 0.012 0.000 2.002 329 K HA -0.136 4.205 4.320 0.035 0.000 0.209 329 K C 2.186 178.796 176.600 0.016 0.000 1.048 329 K CA 1.465 57.761 56.287 0.015 0.000 0.930 329 K CB -0.278 32.232 32.500 0.018 0.000 0.714 329 K HN 0.149 nan 8.250 nan 0.000 0.438 330 V N 1.433 121.357 119.914 0.017 0.000 2.427 330 V HA -0.175 3.966 4.120 0.035 0.000 0.248 330 V C 2.096 178.201 176.094 0.018 0.000 1.051 330 V CA 1.404 63.716 62.300 0.020 0.000 1.048 330 V CB -0.194 31.644 31.823 0.025 0.000 0.666 330 V HN 0.349 nan 8.190 nan 0.000 0.456 331 L N 0.118 121.349 121.223 0.013 0.000 2.046 331 L HA -0.201 4.160 4.340 0.035 0.000 0.208 331 L C 2.372 179.250 176.870 0.013 0.000 1.077 331 L CA 2.292 57.139 54.840 0.010 0.000 0.747 331 L CB -0.738 41.320 42.059 -0.003 0.000 0.896 331 L HN 0.459 nan 8.230 nan 0.000 0.432 332 D N 0.141 120.549 120.400 0.012 0.000 2.158 332 D HA -0.239 4.422 4.640 0.035 0.000 0.197 332 D C 1.978 178.288 176.300 0.017 0.000 0.995 332 D CA 1.275 55.284 54.000 0.015 0.000 0.846 332 D CB 0.109 40.917 40.800 0.014 0.000 0.941 332 D HN 0.329 nan 8.370 nan 0.000 0.456 333 E N -0.578 119.632 120.200 0.017 0.000 2.204 333 E HA -0.125 4.246 4.350 0.035 0.000 0.195 333 E C 1.981 178.592 176.600 0.019 0.000 0.990 333 E CA 1.182 57.592 56.400 0.018 0.000 0.821 333 E CB 0.161 29.872 29.700 0.018 0.000 0.750 333 E HN 0.469 nan 8.360 nan 0.000 0.477 334 V N -3.835 116.092 119.914 0.021 0.000 3.578 334 V HA 0.463 4.604 4.120 0.035 0.000 0.290 334 V C 1.077 177.185 176.094 0.024 0.000 1.376 334 V CA 0.401 62.714 62.300 0.023 0.000 1.083 334 V CB 0.356 32.195 31.823 0.025 0.000 0.911 334 V HN 0.220 nan 8.190 nan 0.000 0.433 335 G N 0.966 109.780 108.800 0.023 0.000 2.131 335 G HA2 -0.182 3.799 3.960 0.035 0.000 0.223 335 G HA3 -0.182 3.799 3.960 0.035 0.000 0.223 335 G C -0.216 174.701 174.900 0.028 0.000 0.990 335 G CA 0.157 45.272 45.100 0.025 0.000 0.671 335 G HN 0.591 nan 8.290 nan 0.000 0.521 336 I N 1.880 122.465 120.570 0.025 0.000 2.339 336 I HA 0.353 4.544 4.170 0.035 0.000 0.290 336 I C 0.120 176.245 176.117 0.014 0.000 0.994 336 I CA -0.543 60.770 61.300 0.023 0.000 1.191 336 I CB 1.771 39.783 38.000 0.020 0.000 1.343 336 I HN 0.017 nan 8.210 nan 0.000 0.458 337 T N 6.617 121.180 114.554 0.014 0.000 2.762 337 T HA 0.467 4.838 4.350 0.035 0.000 0.303 337 T C 0.027 174.726 174.700 -0.001 0.000 0.977 337 T CA -0.512 61.594 62.100 0.009 0.000 0.961 337 T CB 0.741 69.619 68.868 0.017 0.000 0.944 337 T HN 0.439 nan 8.240 nan 0.000 0.481 338 V N 1.181 121.091 119.914 -0.007 0.000 3.164 338 V HA 0.789 4.930 4.120 0.035 0.000 0.313 338 V C -0.954 175.132 176.094 -0.013 0.000 1.188 338 V CA -1.403 60.887 62.300 -0.017 0.000 1.058 338 V CB 2.414 34.216 31.823 -0.035 0.000 1.110 338 V HN 0.846 nan 8.190 nan 0.000 0.453 339 N N 0.217 118.905 118.700 -0.019 0.000 2.258 339 N HA 0.342 5.103 4.740 0.035 0.000 0.299 339 N C -0.725 174.767 175.510 -0.030 0.000 1.047 339 N CA -0.792 52.247 53.050 -0.019 0.000 0.814 339 N CB 2.574 41.053 38.487 -0.012 0.000 1.413 339 N HN 0.999 nan 8.380 nan 0.000 0.478 340 K N 1.413 121.796 120.400 -0.027 0.000 2.518 340 K HA 0.017 4.358 4.320 0.035 0.000 0.276 340 K C -0.957 175.614 176.600 -0.049 0.000 0.974 340 K CA 0.101 56.368 56.287 -0.033 0.000 0.986 340 K CB 0.256 32.743 32.500 -0.021 0.000 0.901 340 K HN 0.708 nan 8.250 nan 0.000 0.497 341 N N 0.635 119.303 118.700 -0.054 0.000 2.406 341 N HA 0.085 4.846 4.740 0.035 0.000 0.283 341 N C -1.679 173.792 175.510 -0.065 0.000 1.074 341 N CA -0.576 52.434 53.050 -0.066 0.000 0.916 341 N CB 1.782 40.230 38.487 -0.065 0.000 1.639 341 N HN 0.784 nan 8.380 nan 0.000 0.485 342 T N 0.660 115.169 114.554 -0.075 0.000 2.932 342 T HA 0.328 4.699 4.350 0.035 0.000 0.312 342 T C 0.699 175.357 174.700 -0.070 0.000 1.071 342 T CA -0.358 61.703 62.100 -0.066 0.000 1.128 342 T CB -0.076 68.750 68.868 -0.069 0.000 0.984 342 T HN 0.426 nan 8.240 nan 0.000 0.549 343 I N -0.751 119.774 120.570 -0.074 0.000 2.676 343 I HA 0.652 4.843 4.170 0.035 0.000 0.309 343 I C -2.852 173.178 176.117 -0.144 0.000 0.990 343 I CA -3.726 57.503 61.300 -0.118 0.000 1.168 343 I CB 1.127 39.055 38.000 -0.121 0.000 1.343 343 I HN 0.313 nan 8.210 nan 0.000 0.482 344 P HA 0.038 nan 4.420 nan 0.000 0.264 344 P C -1.230 175.978 177.300 -0.154 0.000 1.193 344 P CA 0.690 63.536 63.100 -0.424 0.000 0.763 344 P CB -0.200 31.231 31.700 -0.448 0.000 0.810 345 Y N -0.746 119.503 120.300 -0.085 0.000 4.177 345 Y HA -0.257 4.314 4.550 0.035 0.000 0.227 345 Y C 0.807 176.714 175.900 0.011 0.000 1.154 345 Y CA 0.335 58.446 58.100 0.018 0.000 1.887 345 Y CB -2.430 36.038 38.460 0.013 0.000 1.594 345 Y HN 0.387 nan 8.280 nan 0.000 0.668 346 D N 2.242 122.673 120.400 0.052 0.000 2.487 346 D HA 0.017 4.678 4.640 0.035 0.000 0.243 346 D C -0.774 175.559 176.300 0.055 0.000 1.154 346 D CA -0.783 53.239 54.000 0.037 0.000 0.876 346 D CB 1.059 41.859 40.800 -0.001 0.000 1.161 346 D HN 0.183 nan 8.370 nan 0.000 0.478 347 P HA 0.018 nan 4.420 nan 0.000 0.241 347 P C -0.048 177.278 177.300 0.043 0.000 1.191 347 P CA 0.440 63.572 63.100 0.054 0.000 0.771 347 P CB 0.653 32.383 31.700 0.050 0.000 0.929 348 E N 0.443 120.665 120.200 0.037 0.000 2.227 348 E HA 0.256 4.627 4.350 0.035 0.000 0.268 348 E C 0.372 176.997 176.600 0.041 0.000 0.990 348 E CA -0.505 55.918 56.400 0.039 0.000 0.856 348 E CB 1.360 31.081 29.700 0.035 0.000 1.159 348 E HN 0.046 nan 8.360 nan 0.000 0.401 349 S N 0.931 116.669 115.700 0.064 0.000 2.584 349 S HA 0.109 4.600 4.470 0.035 0.000 0.270 349 S C -1.647 172.988 174.600 0.059 0.000 1.346 349 S CA -0.923 57.334 58.200 0.095 0.000 1.018 349 S CB 0.695 64.000 63.200 0.175 0.000 0.899 349 S HN 0.245 nan 8.310 nan 0.000 0.542 350 P HA -0.011 nan 4.420 nan 0.000 0.228 350 P C 0.549 177.680 177.300 -0.283 0.000 1.151 350 P CA 1.001 63.990 63.100 -0.186 0.000 0.770 350 P CB -0.219 31.288 31.700 -0.322 0.000 0.786 351 F N -1.617 118.322 119.950 -0.019 0.000 2.754 351 F HA 0.036 4.584 4.527 0.035 0.000 0.297 351 F C 2.109 177.903 175.800 -0.010 0.000 1.122 351 F CA 0.379 58.370 58.000 -0.015 0.000 1.400 351 F CB -0.150 38.842 39.000 -0.014 0.000 1.117 351 F HN -0.261 nan 8.300 nan 0.000 0.587 352 V N -1.876 118.119 119.914 0.135 0.000 3.001 352 V HA 0.160 4.301 4.120 0.035 0.000 0.228 352 V C 0.603 176.718 176.094 0.035 0.000 1.204 352 V CA 0.896 63.244 62.300 0.080 0.000 1.247 352 V CB -0.017 31.851 31.823 0.076 0.000 1.093 352 V HN 0.363 nan 8.190 nan 0.000 0.504 353 T N -0.776 113.791 114.554 0.023 0.000 0.541 353 T HA -0.225 4.146 4.350 0.035 0.000 0.774 353 T C 0.165 174.868 174.700 0.006 0.000 0.992 353 T CA 0.401 62.501 62.100 -0.001 0.000 4.077 353 T CB -1.434 67.418 68.868 -0.026 0.000 2.303 353 T HN 0.347 nan 8.240 nan 0.000 0.398 354 S N 1.076 116.775 115.700 -0.002 0.000 2.593 354 S HA 0.579 5.070 4.470 0.035 0.000 0.236 354 S C 0.760 175.358 174.600 -0.004 0.000 0.991 354 S CA -0.013 58.190 58.200 0.006 0.000 0.963 354 S CB 0.619 63.826 63.200 0.012 0.000 0.865 354 S HN 1.229 nan 8.310 nan 0.000 0.488 355 G N 1.532 110.320 108.800 -0.020 0.000 2.694 355 G HA2 0.727 4.708 3.960 0.035 0.000 0.290 355 G HA3 0.727 4.708 3.960 0.035 0.000 0.290 355 G C -1.246 173.628 174.900 -0.043 0.000 1.386 355 G CA -0.895 44.184 45.100 -0.034 0.000 0.872 355 G HN 0.306 nan 8.290 nan 0.000 0.475 356 I N -1.883 118.652 120.570 -0.060 0.000 2.608 356 I HA 0.751 4.942 4.170 0.035 0.000 0.295 356 I C -0.379 175.692 176.117 -0.076 0.000 1.049 356 I CA -1.202 60.058 61.300 -0.067 0.000 1.063 356 I CB 2.484 40.438 38.000 -0.078 0.000 1.248 356 I HN 0.450 nan 8.210 nan 0.000 0.424 357 R N 5.613 126.073 120.500 -0.067 0.000 2.428 357 R HA 0.788 5.149 4.340 0.035 0.000 0.294 357 R C -1.523 174.738 176.300 -0.065 0.000 1.000 357 R CA -0.579 55.478 56.100 -0.072 0.000 0.960 357 R CB 1.408 31.669 30.300 -0.065 0.000 1.076 357 R HN 0.822 nan 8.270 nan 0.000 0.475 358 I N 2.311 122.835 120.570 -0.077 0.000 2.619 358 I HA 0.435 4.626 4.170 0.035 0.000 0.292 358 I C -0.176 175.900 176.117 -0.069 0.000 1.100 358 I CA -0.769 60.493 61.300 -0.063 0.000 1.043 358 I CB 2.508 40.464 38.000 -0.073 0.000 1.239 358 I HN 0.786 nan 8.210 nan 0.000 0.420 359 G N 1.359 110.139 108.800 -0.034 0.000 2.574 359 G HA2 0.512 4.493 3.960 0.035 0.000 0.299 359 G HA3 0.512 4.493 3.960 0.035 0.000 0.299 359 G C 0.089 175.002 174.900 0.022 0.000 1.298 359 G CA -0.266 44.825 45.100 -0.016 0.000 0.952 359 G HN 0.585 nan 8.290 nan 0.000 0.477 360 T N -2.134 112.449 114.554 0.048 0.000 3.054 360 T HA 0.377 4.748 4.350 0.035 0.000 0.255 360 T C 2.123 176.856 174.700 0.055 0.000 1.035 360 T CA 1.199 63.325 62.100 0.043 0.000 0.941 360 T CB 0.668 69.559 68.868 0.037 0.000 1.026 360 T HN 0.734 nan 8.240 nan 0.000 0.533 361 A N 1.911 124.783 122.820 0.088 0.000 1.908 361 A HA 0.242 4.583 4.320 0.035 0.000 0.218 361 A C 2.698 180.365 177.584 0.139 0.000 1.181 361 A CA 1.867 53.973 52.037 0.115 0.000 0.627 361 A CB -1.344 17.732 19.000 0.127 0.000 0.818 361 A HN 0.740 nan 8.150 nan 0.000 0.445 362 A N -0.194 122.634 122.820 0.013 0.000 1.872 362 A HA 0.041 4.382 4.320 0.035 0.000 0.214 362 A C 2.326 179.966 177.584 0.092 0.000 1.187 362 A CA 2.148 54.138 52.037 -0.080 0.000 0.614 362 A CB -1.277 17.528 19.000 -0.325 0.000 0.826 362 A HN 1.126 nan 8.150 nan 0.000 0.442 363 V N -2.382 117.506 119.914 -0.042 0.000 2.490 363 V HA -0.172 3.969 4.120 0.035 0.000 0.250 363 V C 2.161 178.199 176.094 -0.093 0.000 1.061 363 V CA 2.623 64.743 62.300 -0.300 0.000 1.064 363 V CB -1.911 29.638 31.823 -0.458 0.000 0.670 363 V HN 0.418 nan 8.190 nan 0.000 0.461 364 T N 0.629 115.242 114.554 0.099 0.000 2.746 364 T HA -0.165 4.206 4.350 0.035 0.000 0.267 364 T C 1.960 176.852 174.700 0.319 0.000 1.039 364 T CA 2.295 64.525 62.100 0.217 0.000 1.142 364 T CB -0.674 68.286 68.868 0.153 0.000 0.866 364 T HN 0.646 nan 8.240 nan 0.000 0.444 365 T N 1.864 116.631 114.554 0.355 0.000 2.759 365 T HA -0.096 4.275 4.350 0.035 0.000 0.269 365 T C 1.922 176.712 174.700 0.150 0.000 1.042 365 T CA 1.024 63.239 62.100 0.192 0.000 1.140 365 T CB -0.202 68.766 68.868 0.167 0.000 0.864 365 T HN 0.365 nan 8.240 nan 0.000 0.455 366 R N 0.238 120.821 120.500 0.138 0.000 2.339 366 R HA 0.169 4.530 4.340 0.035 0.000 0.199 366 R C 1.710 178.123 176.300 0.189 0.000 1.018 366 R CA 0.539 56.679 56.100 0.066 0.000 1.036 366 R CB 0.009 30.247 30.300 -0.104 0.000 0.899 366 R HN 0.509 nan 8.270 nan 0.000 0.473 367 G N 0.262 109.199 108.800 0.229 0.000 2.159 367 G HA2 -0.268 3.713 3.960 0.035 0.000 0.227 367 G HA3 -0.268 3.713 3.960 0.035 0.000 0.227 367 G C 0.169 175.281 174.900 0.353 0.000 0.986 367 G CA -0.601 44.650 45.100 0.250 0.000 0.651 367 G HN 0.268 nan 8.290 nan 0.000 0.523 368 F N 0.887 120.881 119.950 0.074 0.000 2.518 368 F HA 0.439 4.988 4.527 0.037 0.000 0.359 368 F C 1.496 177.327 175.800 0.051 0.000 1.118 368 F CA 0.287 58.321 58.000 0.056 0.000 1.287 368 F CB 0.987 40.022 39.000 0.058 0.000 1.132 368 F HN 0.231 nan 8.300 nan 0.000 0.587 369 G N 1.851 110.749 108.800 0.164 0.000 3.262 369 G HA2 0.404 4.385 3.960 0.035 0.000 0.229 369 G HA3 0.404 4.385 3.960 0.035 0.000 0.229 369 G C 0.487 175.427 174.900 0.067 0.000 1.280 369 G CA -0.825 44.334 45.100 0.099 0.000 0.951 369 G HN 0.563 nan 8.290 nan 0.000 0.589 370 L N -0.012 121.236 121.223 0.040 0.000 2.042 370 L HA -0.077 4.284 4.340 0.035 0.000 0.210 370 L C 2.804 179.684 176.870 0.017 0.000 1.076 370 L CA 1.186 56.044 54.840 0.030 0.000 0.749 370 L CB -0.352 41.720 42.059 0.021 0.000 0.893 370 L HN 0.379 nan 8.230 nan 0.000 0.432 371 E N 0.436 120.634 120.200 -0.002 0.000 2.118 371 E HA -0.227 4.144 4.350 0.035 0.000 0.195 371 E C 2.101 178.678 176.600 -0.038 0.000 0.992 371 E CA 1.301 57.688 56.400 -0.021 0.000 0.804 371 E CB -0.160 29.518 29.700 -0.037 0.000 0.741 371 E HN 0.510 nan 8.360 nan 0.000 0.458 372 E N -0.065 120.098 120.200 -0.062 0.000 2.107 372 E HA -0.077 4.294 4.350 0.035 0.000 0.191 372 E C 1.967 178.584 176.600 0.028 0.000 0.982 372 E CA 0.655 56.993 56.400 -0.104 0.000 0.809 372 E CB -0.125 29.406 29.700 -0.282 0.000 0.756 372 E HN 0.116 nan 8.360 nan 0.000 0.459 373 M N 0.873 120.513 119.600 0.067 0.000 2.080 373 M HA -0.160 4.341 4.480 0.035 0.000 0.260 373 M C 1.403 177.733 176.300 0.051 0.000 1.068 373 M CA 1.481 56.827 55.300 0.076 0.000 1.109 373 M CB -1.008 31.631 32.600 0.066 0.000 1.342 373 M HN 0.039 nan 8.290 nan 0.000 0.405 374 D N 0.087 120.506 120.400 0.033 0.000 2.133 374 D HA -0.194 4.467 4.640 0.035 0.000 0.195 374 D C 2.014 178.332 176.300 0.030 0.000 0.997 374 D CA 1.499 55.516 54.000 0.029 0.000 0.840 374 D CB -0.242 40.568 40.800 0.017 0.000 0.947 374 D HN 0.408 nan 8.370 nan 0.000 0.452 375 E N 0.495 120.705 120.200 0.016 0.000 2.072 375 E HA -0.084 4.287 4.350 0.035 0.000 0.191 375 E C 2.147 178.769 176.600 0.036 0.000 0.985 375 E CA 0.646 57.053 56.400 0.013 0.000 0.801 375 E CB -0.353 29.334 29.700 -0.020 0.000 0.750 375 E HN 0.282 nan 8.360 nan 0.000 0.452 376 I N 0.661 121.264 120.570 0.054 0.000 2.127 376 I HA -0.330 3.861 4.170 0.035 0.000 0.241 376 I C 2.446 178.595 176.117 0.054 0.000 1.075 376 I CA 1.251 62.593 61.300 0.071 0.000 1.334 376 I CB -0.569 37.493 38.000 0.104 0.000 1.040 376 I HN 0.230 nan 8.210 nan 0.000 0.405 377 A N 0.802 123.655 122.820 0.055 0.000 1.892 377 A HA -0.271 4.070 4.320 0.035 0.000 0.218 377 A C 2.541 180.188 177.584 0.106 0.000 1.188 377 A CA 2.336 54.416 52.037 0.072 0.000 0.631 377 A CB -1.019 18.029 19.000 0.080 0.000 0.822 377 A HN 0.479 nan 8.150 nan 0.000 0.447 378 A N -0.313 122.556 122.820 0.081 0.000 1.902 378 A HA -0.081 4.260 4.320 0.035 0.000 0.217 378 A C 2.134 179.766 177.584 0.080 0.000 1.181 378 A CA 1.574 53.658 52.037 0.078 0.000 0.623 378 A CB -0.621 18.408 19.000 0.048 0.000 0.818 378 A HN 0.523 nan 8.150 nan 0.000 0.443 379 I N -0.348 120.260 120.570 0.065 0.000 2.226 379 I HA -0.252 3.939 4.170 0.035 0.000 0.245 379 I C 2.283 178.443 176.117 0.072 0.000 1.100 379 I CA 1.263 62.598 61.300 0.059 0.000 1.374 379 I CB -0.340 37.689 38.000 0.047 0.000 1.057 379 I HN 0.297 nan 8.210 nan 0.000 0.413 380 I N 0.754 121.364 120.570 0.068 0.000 2.163 380 I HA -0.239 3.952 4.170 0.035 0.000 0.243 380 I C 2.705 178.938 176.117 0.193 0.000 1.085 380 I CA 1.695 63.026 61.300 0.053 0.000 1.347 380 I CB -0.981 36.975 38.000 -0.074 0.000 1.044 380 I HN 0.287 nan 8.210 nan 0.000 0.408 381 G N 1.165 110.152 108.800 0.312 0.000 2.446 381 G HA2 -0.293 3.688 3.960 0.035 0.000 0.217 381 G HA3 -0.293 3.688 3.960 0.035 0.000 0.217 381 G C 1.651 176.657 174.900 0.177 0.000 1.168 381 G CA 0.878 46.194 45.100 0.359 0.000 0.771 381 G HN 0.279 nan 8.290 nan 0.000 0.551 382 L N 0.746 122.039 121.223 0.116 0.000 2.013 382 L HA -0.092 4.269 4.340 0.035 0.000 0.212 382 L C 2.913 179.828 176.870 0.075 0.000 1.073 382 L CA 1.729 56.613 54.840 0.073 0.000 0.753 382 L CB -0.614 41.478 42.059 0.055 0.000 0.890 382 L HN 0.103 nan 8.230 nan 0.000 0.432 383 V N -0.428 119.538 119.914 0.085 0.000 2.270 383 V HA -0.271 3.870 4.120 0.035 0.000 0.245 383 V C 2.480 178.627 176.094 0.088 0.000 1.043 383 V CA 2.017 64.360 62.300 0.072 0.000 1.014 383 V CB -0.532 31.325 31.823 0.057 0.000 0.645 383 V HN 0.444 nan 8.190 nan 0.000 0.447 384 L N -0.599 120.709 121.223 0.141 0.000 2.291 384 L HA -0.083 4.278 4.340 0.035 0.000 0.214 384 L C 2.244 179.194 176.870 0.134 0.000 1.120 384 L CA 1.215 56.155 54.840 0.166 0.000 0.799 384 L CB -0.493 41.735 42.059 0.282 0.000 0.925 384 L HN 0.311 nan 8.230 nan 0.000 0.446 385 K N 0.236 120.698 120.400 0.104 0.000 2.426 385 K HA 0.030 4.371 4.320 0.035 0.000 0.193 385 K C -0.009 176.610 176.600 0.032 0.000 1.028 385 K CA 0.397 56.708 56.287 0.040 0.000 1.047 385 K CB 0.160 32.662 32.500 0.003 0.000 0.821 385 K HN 0.291 nan 8.250 nan 0.000 0.513 386 N N -0.216 118.509 118.700 0.042 0.000 2.628 386 N HA -0.019 4.742 4.740 0.035 0.000 0.299 386 N C 0.465 175.995 175.510 0.033 0.000 1.834 386 N CA -0.095 52.974 53.050 0.031 0.000 0.871 386 N CB 1.419 39.923 38.487 0.028 0.000 1.377 386 N HN -0.106 nan 8.380 nan 0.000 0.493 387 V N -2.739 117.196 119.914 0.036 0.000 2.867 387 V HA 0.061 4.202 4.120 0.035 0.000 0.260 387 V C 1.596 177.706 176.094 0.026 0.000 1.099 387 V CA 1.936 64.256 62.300 0.034 0.000 1.122 387 V CB -0.561 31.284 31.823 0.036 0.000 0.708 387 V HN 0.332 nan 8.190 nan 0.000 0.490 388 G N -0.269 108.544 108.800 0.022 0.000 3.337 388 G HA2 0.225 4.206 3.960 0.035 0.000 0.246 388 G HA3 0.225 4.206 3.960 0.035 0.000 0.246 388 G C 0.521 175.431 174.900 0.016 0.000 1.131 388 G CA 0.630 45.740 45.100 0.018 0.000 0.773 388 G HN 0.556 nan 8.290 nan 0.000 0.544 389 S N 0.402 116.113 115.700 0.018 0.000 2.532 389 S HA 0.319 4.810 4.470 0.035 0.000 0.318 389 S C 1.052 175.661 174.600 0.016 0.000 1.083 389 S CA -0.564 57.645 58.200 0.016 0.000 1.131 389 S CB 0.809 64.018 63.200 0.016 0.000 0.973 389 S HN 0.150 nan 8.310 nan 0.000 0.468 390 E N 3.302 123.510 120.200 0.015 0.000 2.160 390 E HA -0.209 4.162 4.350 0.035 0.000 0.195 390 E C 2.178 178.787 176.600 0.014 0.000 0.991 390 E CA 1.323 57.732 56.400 0.014 0.000 0.810 390 E CB -0.104 29.604 29.700 0.013 0.000 0.742 390 E HN 0.968 nan 8.360 nan 0.000 0.466 391 Q N 0.327 120.135 119.800 0.013 0.000 2.084 391 Q HA -0.078 4.283 4.340 0.035 0.000 0.202 391 Q C 2.128 178.137 176.000 0.015 0.000 0.978 391 Q CA 1.693 57.503 55.803 0.013 0.000 0.844 391 Q CB -0.410 28.335 28.738 0.011 0.000 0.898 391 Q HN 0.137 nan 8.270 nan 0.000 0.426 392 A N 1.942 124.772 122.820 0.017 0.000 1.902 392 A HA -0.085 4.256 4.320 0.035 0.000 0.217 392 A C 2.311 179.909 177.584 0.023 0.000 1.181 392 A CA 1.321 53.371 52.037 0.020 0.000 0.623 392 A CB -0.714 18.300 19.000 0.023 0.000 0.818 392 A HN 0.378 nan 8.150 nan 0.000 0.443 393 L N -0.907 120.329 121.223 0.022 0.000 2.083 393 L HA -0.190 4.171 4.340 0.035 0.000 0.209 393 L C 2.659 179.542 176.870 0.021 0.000 1.083 393 L CA 1.752 56.606 54.840 0.023 0.000 0.752 393 L CB -0.552 41.520 42.059 0.022 0.000 0.899 393 L HN 0.465 nan 8.230 nan 0.000 0.433 394 E N 0.801 121.012 120.200 0.018 0.000 2.072 394 E HA -0.266 4.105 4.350 0.035 0.000 0.191 394 E C 2.007 178.617 176.600 0.017 0.000 0.985 394 E CA 1.517 57.926 56.400 0.016 0.000 0.801 394 E CB -0.035 29.674 29.700 0.014 0.000 0.750 394 E HN 0.419 nan 8.360 nan 0.000 0.452 395 E N -0.347 119.863 120.200 0.017 0.000 2.058 395 E HA -0.242 4.129 4.350 0.035 0.000 0.194 395 E C 1.952 178.564 176.600 0.020 0.000 0.997 395 E CA 1.242 57.652 56.400 0.017 0.000 0.801 395 E CB -0.294 29.416 29.700 0.017 0.000 0.746 395 E HN 0.323 nan 8.360 nan 0.000 0.450 396 A N 1.473 124.307 122.820 0.023 0.000 1.883 396 A HA -0.240 4.101 4.320 0.035 0.000 0.217 396 A C 2.234 179.833 177.584 0.026 0.000 1.186 396 A CA 1.783 53.836 52.037 0.027 0.000 0.624 396 A CB -0.684 18.335 19.000 0.031 0.000 0.822 396 A HN 0.267 nan 8.150 nan 0.000 0.444 397 R N -0.552 119.962 120.500 0.023 0.000 2.096 397 R HA -0.216 4.145 4.340 0.035 0.000 0.240 397 R C 2.448 178.761 176.300 0.021 0.000 1.139 397 R CA 2.086 58.199 56.100 0.022 0.000 0.952 397 R CB -0.313 29.999 30.300 0.020 0.000 0.854 397 R HN 0.728 nan 8.270 nan 0.000 0.436 398 Q N -0.579 119.232 119.800 0.018 0.000 2.119 398 Q HA -0.153 4.208 4.340 0.035 0.000 0.201 398 Q C 2.187 178.196 176.000 0.014 0.000 0.972 398 Q CA 1.523 57.336 55.803 0.015 0.000 0.847 398 Q CB 0.007 28.753 28.738 0.013 0.000 0.903 398 Q HN 0.337 nan 8.270 nan 0.000 0.433 399 R N -0.217 120.292 120.500 0.015 0.000 2.115 399 R HA -0.073 4.288 4.340 0.035 0.000 0.230 399 R C 2.295 178.605 176.300 0.017 0.000 1.111 399 R CA 0.967 57.074 56.100 0.012 0.000 0.976 399 R CB -0.215 30.094 30.300 0.014 0.000 0.870 399 R HN 0.068 nan 8.270 nan 0.000 0.445 400 V N 1.086 121.016 119.914 0.028 0.000 2.295 400 V HA -0.250 3.891 4.120 0.035 0.000 0.246 400 V C 2.440 178.555 176.094 0.035 0.000 1.049 400 V CA 2.032 64.357 62.300 0.042 0.000 1.024 400 V CB -0.717 31.131 31.823 0.042 0.000 0.648 400 V HN 0.410 nan 8.190 nan 0.000 0.447 401 A N 0.021 122.855 122.820 0.024 0.000 1.940 401 A HA -0.172 4.169 4.320 0.035 0.000 0.219 401 A C 2.427 180.019 177.584 0.015 0.000 1.176 401 A CA 2.199 54.248 52.037 0.020 0.000 0.631 401 A CB -0.823 18.190 19.000 0.021 0.000 0.814 401 A HN 0.599 nan 8.150 nan 0.000 0.446 402 A N -0.454 122.370 122.820 0.007 0.000 1.940 402 A HA -0.070 4.271 4.320 0.035 0.000 0.219 402 A C 2.172 179.739 177.584 -0.030 0.000 1.176 402 A CA 1.560 53.592 52.037 -0.008 0.000 0.631 402 A CB -0.539 18.452 19.000 -0.014 0.000 0.814 402 A HN 0.490 nan 8.150 nan 0.000 0.446 403 L N -0.443 120.762 121.223 -0.030 0.000 2.109 403 L HA -0.116 4.245 4.340 0.035 0.000 0.207 403 L C 2.780 179.655 176.870 0.008 0.000 1.086 403 L CA 1.755 56.544 54.840 -0.085 0.000 0.760 403 L CB -0.439 41.598 42.059 -0.038 0.000 0.910 403 L HN 0.647 nan 8.230 nan 0.000 0.437 404 T N -4.533 110.054 114.554 0.054 0.000 3.081 404 T HA 0.041 4.412 4.350 0.035 0.000 0.250 404 T C 0.523 175.193 174.700 -0.050 0.000 1.100 404 T CA 0.049 62.145 62.100 -0.007 0.000 1.038 404 T CB 0.131 68.923 68.868 -0.126 0.000 0.962 404 T HN 0.470 nan 8.240 nan 0.000 0.516 405 D N 0.000 120.415 120.400 0.025 0.000 6.856 405 D HA 0.000 4.661 4.640 0.035 0.000 0.175 405 D CA 0.000 54.044 54.000 0.073 0.000 0.868 405 D CB 0.000 40.869 40.800 0.114 0.000 0.688 405 D HN 0.000 nan 8.370 nan 0.000 0.683