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 2w7l_1_A DATA FIRST_RESID 1 DATA SEQUENCE MKYLPQQDPQ VFAAIEQERK RQHAKIELIA SENFVSRAVM EAQGSVLTNK DATA SEQUENCE YAEGYPGRRY AGGCEYVDIV EELARERAKQ LFGAEHANVQ PHSGAQANMA DATA SEQUENCE VYFTVLEHGD TVLGMNLSHG GHLTHGSPVN FSGVQYNFVA YGVDPETHVI DATA SEQUENCE DYDDVREKAR LHRPKLIVAA ASAYPRIIDF AKFREIADEV GAYLMVDMAH DATA SEQUENCE IAGLVAAGLH PNPVPYAHFV TTTTHKTLRG PRGGMILCQE QFAKQIDKAI DATA SEQUENCE FPGIQGGPLM HVIAAKAVAF GEALQDDFKA YAKRVVDNAK RLASALQNEG DATA SEQUENCE FTLVSGGTDN HLLLVDLRPQ QLTGKTAEKV LDEVGITVNK NTIPYDPESP DATA SEQUENCE FVTSGIRIGT AAVTTRGFGL EEMDEIAAII GLVLKNVGSE QALEEARQRV DATA SEQUENCE AALTD VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.256 176.300 -0.073 0.000 1.140 1 M CA 0.000 55.328 55.300 0.048 0.000 0.988 1 M CB 0.000 32.680 32.600 0.133 0.000 1.302 2 K N 0.215 120.555 120.400 -0.101 0.000 2.585 2 K HA 0.261 4.598 4.320 0.027 0.000 0.198 2 K C 0.633 177.031 176.600 -0.337 0.000 1.403 2 K CA 0.395 56.528 56.287 -0.256 0.000 1.021 2 K CB 0.467 32.773 32.500 -0.323 0.000 1.558 2 K HN 0.654 nan 8.250 nan 0.000 0.524 3 Y N 0.802 121.033 120.300 -0.114 0.000 2.490 3 Y HA 0.029 4.587 4.550 0.014 0.000 0.285 3 Y C 1.840 177.668 175.900 -0.120 0.000 1.117 3 Y CA 0.276 58.316 58.100 -0.101 0.000 1.262 3 Y CB 0.252 38.673 38.460 -0.065 0.000 1.043 3 Y HN 0.099 nan 8.280 nan 0.000 0.553 4 L N 1.173 122.389 121.223 -0.012 0.000 2.072 4 L HA 0.041 4.397 4.340 0.027 0.000 0.205 4 L C -0.926 175.817 176.870 -0.211 0.000 1.079 4 L CA 1.539 56.347 54.840 -0.054 0.000 0.752 4 L CB -1.450 40.629 42.059 0.033 0.000 0.906 4 L HN -0.059 nan 8.230 nan 0.000 0.436 5 P HA -0.198 nan 4.420 nan 0.000 0.216 5 P C 1.372 178.505 177.300 -0.278 0.000 1.150 5 P CA 1.270 63.934 63.100 -0.727 0.000 0.837 5 P CB 0.096 31.178 31.700 -1.031 0.000 0.786 6 Q N -0.451 119.225 119.800 -0.207 0.000 2.096 6 Q HA -0.176 4.180 4.340 0.027 0.000 0.197 6 Q C 2.343 178.311 176.000 -0.052 0.000 0.964 6 Q CA 1.531 57.268 55.803 -0.110 0.000 0.838 6 Q CB -0.764 27.912 28.738 -0.103 0.000 0.906 6 Q HN 0.013 nan 8.270 nan 0.000 0.444 7 Q N 0.241 120.022 119.800 -0.033 0.000 2.049 7 Q HA -0.037 4.320 4.340 0.027 0.000 0.198 7 Q C -0.318 175.686 176.000 0.007 0.000 0.971 7 Q CA 1.560 57.363 55.803 -0.000 0.000 0.833 7 Q CB 0.276 29.026 28.738 0.019 0.000 0.896 7 Q HN 0.203 nan 8.270 nan 0.000 0.434 8 D N -1.096 119.313 120.400 0.015 0.000 2.400 8 D HA 0.219 4.876 4.640 0.027 0.000 0.272 8 D C -2.212 174.140 176.300 0.087 0.000 1.220 8 D CA -1.792 52.235 54.000 0.046 0.000 0.897 8 D CB 1.454 42.287 40.800 0.055 0.000 1.134 8 D HN 0.021 nan 8.370 nan 0.000 0.507 9 P HA -0.098 nan 4.420 nan 0.000 0.218 9 P C 1.367 178.749 177.300 0.136 0.000 1.149 9 P CA 1.044 64.218 63.100 0.122 0.000 0.817 9 P CB 0.632 32.374 31.700 0.071 0.000 0.785 10 Q N -0.757 119.094 119.800 0.086 0.000 2.046 10 Q HA -0.085 4.271 4.340 0.027 0.000 0.200 10 Q C 2.098 178.137 176.000 0.065 0.000 0.975 10 Q CA 1.297 57.137 55.803 0.062 0.000 0.836 10 Q CB -0.694 28.069 28.738 0.040 0.000 0.896 10 Q HN 0.106 nan 8.270 nan 0.000 0.428 11 V N 0.460 120.423 119.914 0.082 0.000 2.379 11 V HA -0.215 3.922 4.120 0.027 0.000 0.245 11 V C 1.907 178.064 176.094 0.106 0.000 1.044 11 V CA 1.513 63.859 62.300 0.077 0.000 1.036 11 V CB -0.551 31.316 31.823 0.073 0.000 0.664 11 V HN 0.310 nan 8.190 nan 0.000 0.453 12 F N 1.735 121.689 119.950 0.006 0.000 2.171 12 F HA -0.134 4.398 4.527 0.009 0.000 0.300 12 F C 2.243 178.045 175.800 0.004 0.000 1.090 12 F CA 1.325 59.328 58.000 0.006 0.000 1.293 12 F CB -0.500 38.503 39.000 0.005 0.000 1.013 12 F HN 0.076 nan 8.300 nan 0.000 0.486 13 A N 0.215 123.001 122.820 -0.057 0.000 1.930 13 A HA 0.010 4.346 4.320 0.027 0.000 0.217 13 A C 2.388 179.883 177.584 -0.147 0.000 1.175 13 A CA 1.579 53.530 52.037 -0.142 0.000 0.627 13 A CB -1.450 17.543 19.000 -0.012 0.000 0.815 13 A HN 0.477 nan 8.150 nan 0.000 0.443 14 A N -0.199 122.572 122.820 -0.083 0.000 1.929 14 A HA 0.031 4.368 4.320 0.027 0.000 0.216 14 A C 2.076 179.608 177.584 -0.086 0.000 1.176 14 A CA 1.285 53.284 52.037 -0.063 0.000 0.628 14 A CB -0.501 18.485 19.000 -0.024 0.000 0.816 14 A HN 0.475 nan 8.150 nan 0.000 0.444 15 I N -0.384 120.118 120.570 -0.114 0.000 2.252 15 I HA -0.188 3.999 4.170 0.027 0.000 0.245 15 I C 2.368 178.376 176.117 -0.182 0.000 1.102 15 I CA 1.102 62.333 61.300 -0.115 0.000 1.385 15 I CB -0.276 37.680 38.000 -0.073 0.000 1.064 15 I HN 0.279 nan 8.210 nan 0.000 0.414 16 E N 0.600 120.594 120.200 -0.344 0.000 2.150 16 E HA -0.230 4.136 4.350 0.027 0.000 0.193 16 E C 2.142 178.635 176.600 -0.178 0.000 0.985 16 E CA 1.094 57.291 56.400 -0.339 0.000 0.814 16 E CB -0.183 29.187 29.700 -0.550 0.000 0.752 16 E HN 0.595 nan 8.360 nan 0.000 0.466 17 Q N 0.221 119.936 119.800 -0.141 0.000 2.079 17 Q HA -0.189 4.167 4.340 0.027 0.000 0.200 17 Q C 2.086 178.060 176.000 -0.042 0.000 0.974 17 Q CA 1.424 57.183 55.803 -0.074 0.000 0.840 17 Q CB -0.025 28.678 28.738 -0.057 0.000 0.898 17 Q HN 0.091 nan 8.270 nan 0.000 0.430 18 E N 1.035 121.209 120.200 -0.043 0.000 2.072 18 E HA -0.176 4.190 4.350 0.027 0.000 0.191 18 E C 1.825 178.431 176.600 0.009 0.000 0.985 18 E CA 1.147 57.542 56.400 -0.009 0.000 0.801 18 E CB -0.041 29.654 29.700 -0.009 0.000 0.750 18 E HN 0.141 nan 8.360 nan 0.000 0.452 19 R N 0.269 120.759 120.500 -0.017 0.000 2.091 19 R HA -0.137 4.219 4.340 0.027 0.000 0.238 19 R C 2.037 178.341 176.300 0.007 0.000 1.136 19 R CA 1.885 57.981 56.100 -0.006 0.000 0.959 19 R CB -0.058 30.215 30.300 -0.045 0.000 0.856 19 R HN 0.064 nan 8.270 nan 0.000 0.437 20 K N -0.325 120.069 120.400 -0.011 0.000 2.155 20 K HA -0.100 4.236 4.320 0.027 0.000 0.203 20 K C 2.241 178.878 176.600 0.062 0.000 1.052 20 K CA 0.932 57.227 56.287 0.013 0.000 0.948 20 K CB -0.106 32.385 32.500 -0.015 0.000 0.728 20 K HN 0.121 nan 8.250 nan 0.000 0.448 21 R N 1.455 121.982 120.500 0.045 0.000 2.066 21 R HA -0.152 4.204 4.340 0.027 0.000 0.232 21 R C 1.965 178.315 176.300 0.084 0.000 1.131 21 R CA 1.606 57.739 56.100 0.055 0.000 0.955 21 R CB -0.015 30.308 30.300 0.038 0.000 0.851 21 R HN 0.262 nan 8.270 nan 0.000 0.432 22 Q N -1.271 118.595 119.800 0.110 0.000 2.226 22 Q HA -0.223 4.133 4.340 0.027 0.000 0.204 22 Q C 1.767 177.820 176.000 0.087 0.000 0.975 22 Q CA 1.785 57.696 55.803 0.179 0.000 0.866 22 Q CB -0.104 28.797 28.738 0.272 0.000 0.915 22 Q HN 0.538 nan 8.270 nan 0.000 0.440 23 H N -0.435 118.612 119.070 -0.039 0.000 2.384 23 H HA 0.127 4.699 4.556 0.027 0.000 0.300 23 H C 1.828 177.145 175.328 -0.018 0.000 1.057 23 H CA 1.260 57.262 56.048 -0.077 0.000 1.370 23 H CB 0.125 29.846 29.762 -0.070 0.000 1.417 23 H HN 0.192 nan 8.280 nan 0.000 0.527 24 A N 1.141 123.992 122.820 0.051 0.000 1.929 24 A HA 0.029 4.365 4.320 0.027 0.000 0.216 24 A C 1.016 178.596 177.584 -0.007 0.000 1.176 24 A CA 0.574 52.623 52.037 0.019 0.000 0.628 24 A CB -0.027 19.015 19.000 0.069 0.000 0.816 24 A HN 0.178 nan 8.150 nan 0.000 0.444 25 K N -0.197 120.211 120.400 0.013 0.000 2.126 25 K HA 0.467 4.803 4.320 0.027 0.000 0.257 25 K C -0.707 175.899 176.600 0.009 0.000 1.007 25 K CA -0.314 55.986 56.287 0.021 0.000 0.928 25 K CB 0.914 33.437 32.500 0.037 0.000 1.013 25 K HN 0.255 nan 8.250 nan 0.000 0.473 26 I N 2.142 122.719 120.570 0.012 0.000 2.281 26 I HA 0.028 4.215 4.170 0.027 0.000 0.293 26 I C 0.308 176.417 176.117 -0.014 0.000 1.085 26 I CA -0.509 60.782 61.300 -0.014 0.000 1.257 26 I CB 0.611 38.628 38.000 0.028 0.000 1.430 26 I HN 0.371 nan 8.210 nan 0.000 0.489 27 E N 6.963 127.158 120.200 -0.010 0.000 2.105 27 E HA 0.266 4.632 4.350 0.027 0.000 0.285 27 E C -0.101 176.475 176.600 -0.040 0.000 1.055 27 E CA 0.184 56.584 56.400 0.000 0.000 0.843 27 E CB 0.624 30.354 29.700 0.051 0.000 1.067 27 E HN 0.541 nan 8.360 nan 0.000 0.398 28 L N 5.181 126.384 121.223 -0.034 0.000 3.122 28 L HA 0.365 4.722 4.340 0.027 0.000 0.274 28 L C 0.024 176.881 176.870 -0.022 0.000 1.222 28 L CA -0.308 54.512 54.840 -0.032 0.000 1.028 28 L CB 0.249 42.288 42.059 -0.033 0.000 1.386 28 L HN 0.499 nan 8.230 nan 0.000 0.578 29 I N 1.019 121.575 120.570 -0.022 0.000 2.505 29 I HA 0.001 4.187 4.170 0.027 0.000 0.287 29 I C 1.639 177.778 176.117 0.036 0.000 1.104 29 I CA 0.007 61.307 61.300 0.000 0.000 1.387 29 I CB 1.541 39.536 38.000 -0.007 0.000 1.404 29 I HN 0.182 nan 8.210 nan 0.000 0.528 30 A N 4.620 127.489 122.820 0.081 0.000 2.024 30 A HA -0.170 4.166 4.320 0.027 0.000 0.220 30 A C 2.165 179.932 177.584 0.305 0.000 1.164 30 A CA 2.007 54.152 52.037 0.180 0.000 0.643 30 A CB -0.426 18.644 19.000 0.115 0.000 0.806 30 A HN 0.803 nan 8.150 nan 0.000 0.451 31 S N -1.016 114.816 115.700 0.220 0.000 2.575 31 S HA 0.179 4.665 4.470 0.027 0.000 0.215 31 S C 0.381 174.985 174.600 0.007 0.000 0.966 31 S CA -0.294 57.932 58.200 0.043 0.000 0.911 31 S CB 0.049 63.270 63.200 0.035 0.000 0.780 31 S HN 0.610 nan 8.310 nan 0.000 0.514 32 E N 1.238 121.434 120.200 -0.006 0.000 2.250 32 E HA 0.542 4.908 4.350 0.027 0.000 0.269 32 E C -0.722 175.784 176.600 -0.157 0.000 1.018 32 E CA -0.746 55.598 56.400 -0.094 0.000 0.873 32 E CB 0.800 30.406 29.700 -0.156 0.000 1.134 32 E HN 0.163 nan 8.360 nan 0.000 0.403 33 N N 0.403 118.947 118.700 -0.261 0.000 2.927 33 N HA 0.302 5.058 4.740 0.027 0.000 0.248 33 N C -1.917 173.331 175.510 -0.437 0.000 1.443 33 N CA -0.571 52.310 53.050 -0.282 0.000 0.870 33 N CB 0.987 39.457 38.487 -0.028 0.000 1.444 33 N HN 0.205 nan 8.380 nan 0.000 0.519 34 F N 1.102 121.070 119.950 0.030 0.000 2.411 34 F HA 0.354 4.893 4.527 0.019 0.000 0.352 34 F C 0.825 176.624 175.800 -0.001 0.000 1.123 34 F CA -0.815 57.191 58.000 0.011 0.000 1.044 34 F CB 1.113 40.116 39.000 0.005 0.000 1.135 34 F HN 0.106 nan 8.300 nan 0.000 0.461 35 V N 0.617 120.625 119.914 0.156 0.000 2.881 35 V HA 0.581 4.718 4.120 0.027 0.000 0.303 35 V C 0.387 176.522 176.094 0.069 0.000 1.070 35 V CA -0.949 61.397 62.300 0.077 0.000 1.074 35 V CB 0.989 32.834 31.823 0.038 0.000 1.012 35 V HN 0.819 nan 8.190 nan 0.000 0.482 36 S N 3.236 118.953 115.700 0.028 0.000 2.600 36 S HA 0.315 4.801 4.470 0.027 0.000 0.265 36 S C 0.860 175.467 174.600 0.013 0.000 1.325 36 S CA -0.184 58.025 58.200 0.015 0.000 1.002 36 S CB 0.638 63.836 63.200 -0.004 0.000 0.921 36 S HN 0.754 nan 8.310 nan 0.000 0.554 37 R N 0.654 121.160 120.500 0.011 0.000 2.189 37 R HA -0.007 4.349 4.340 0.027 0.000 0.223 37 R C 2.431 178.733 176.300 0.003 0.000 1.092 37 R CA 1.121 57.228 56.100 0.010 0.000 0.989 37 R CB -0.776 29.530 30.300 0.009 0.000 0.876 37 R HN 0.815 nan 8.270 nan 0.000 0.457 38 A N 0.408 123.225 122.820 -0.005 0.000 1.898 38 A HA -0.083 4.253 4.320 0.027 0.000 0.216 38 A C 2.241 179.812 177.584 -0.022 0.000 1.181 38 A CA 1.095 53.124 52.037 -0.013 0.000 0.620 38 A CB -0.353 18.636 19.000 -0.019 0.000 0.819 38 A HN 0.106 nan 8.150 nan 0.000 0.442 39 V N 0.004 119.901 119.914 -0.028 0.000 2.343 39 V HA -0.312 3.824 4.120 0.027 0.000 0.247 39 V C 2.639 178.719 176.094 -0.023 0.000 1.051 39 V CA 2.258 64.532 62.300 -0.042 0.000 1.036 39 V CB -0.686 31.107 31.823 -0.051 0.000 0.654 39 V HN 0.570 nan 8.190 nan 0.000 0.451 40 M N -0.765 118.833 119.600 -0.004 0.000 2.175 40 M HA -0.183 4.314 4.480 0.027 0.000 0.264 40 M C 2.186 178.495 176.300 0.015 0.000 1.063 40 M CA 1.757 57.063 55.300 0.011 0.000 1.119 40 M CB -0.476 32.137 32.600 0.022 0.000 1.377 40 M HN 0.351 nan 8.290 nan 0.000 0.415 41 E N 0.395 120.601 120.200 0.009 0.000 2.153 41 E HA -0.141 4.225 4.350 0.027 0.000 0.194 41 E C 2.030 178.636 176.600 0.009 0.000 0.988 41 E CA 1.118 57.524 56.400 0.010 0.000 0.811 41 E CB -0.088 29.616 29.700 0.005 0.000 0.746 41 E HN 0.496 nan 8.360 nan 0.000 0.466 42 A N 0.883 123.704 122.820 0.003 0.000 1.930 42 A HA -0.190 4.147 4.320 0.027 0.000 0.217 42 A C 1.969 179.578 177.584 0.040 0.000 1.175 42 A CA 1.056 53.097 52.037 0.006 0.000 0.627 42 A CB -0.195 18.792 19.000 -0.021 0.000 0.815 42 A HN 0.152 nan 8.150 nan 0.000 0.443 43 Q N -0.984 118.842 119.800 0.044 0.000 2.311 43 Q HA -0.024 4.333 4.340 0.027 0.000 0.203 43 Q C 1.499 177.577 176.000 0.130 0.000 0.954 43 Q CA 0.717 56.590 55.803 0.117 0.000 0.885 43 Q CB -0.092 28.686 28.738 0.066 0.000 0.963 43 Q HN 0.639 nan 8.270 nan 0.000 0.471 44 G N 0.792 109.624 108.800 0.053 0.000 3.518 44 G HA2 0.074 4.050 3.960 0.027 0.000 0.273 44 G HA3 0.074 4.050 3.960 0.027 0.000 0.273 44 G C 0.154 175.046 174.900 -0.013 0.000 1.199 44 G CA -0.104 45.005 45.100 0.015 0.000 0.899 44 G HN 0.216 nan 8.290 nan 0.000 0.533 45 S N -0.929 114.767 115.700 -0.006 0.000 2.730 45 S HA 0.346 4.833 4.470 0.027 0.000 0.284 45 S C 1.412 175.973 174.600 -0.065 0.000 1.153 45 S CA 0.012 58.199 58.200 -0.023 0.000 0.995 45 S CB 1.493 64.695 63.200 0.004 0.000 1.058 45 S HN 0.523 nan 8.310 nan 0.000 0.552 46 V N -1.046 118.832 119.914 -0.059 0.000 3.444 46 V HA 0.106 4.243 4.120 0.027 0.000 0.271 46 V C 1.440 177.495 176.094 -0.065 0.000 1.188 46 V CA 0.737 62.993 62.300 -0.073 0.000 1.168 46 V CB -1.402 30.387 31.823 -0.057 0.000 0.810 46 V HN 0.671 nan 8.190 nan 0.000 0.500 47 L N 0.949 122.151 121.223 -0.036 0.000 2.456 47 L HA -0.025 4.331 4.340 0.027 0.000 0.224 47 L C 2.670 179.532 176.870 -0.012 0.000 1.148 47 L CA 2.144 56.990 54.840 0.010 0.000 0.825 47 L CB -1.114 40.988 42.059 0.071 0.000 0.937 47 L HN 0.534 nan 8.230 nan 0.000 0.450 48 T N -1.458 112.977 114.554 -0.199 0.000 2.995 48 T HA -0.117 4.249 4.350 0.027 0.000 0.269 48 T C 1.602 176.198 174.700 -0.174 0.000 1.091 48 T CA 1.487 63.379 62.100 -0.347 0.000 1.128 48 T CB -0.319 68.103 68.868 -0.743 0.000 0.891 48 T HN 0.498 nan 8.240 nan 0.000 0.492 49 N N -0.026 118.605 118.700 -0.115 0.000 2.459 49 N HA 0.016 4.772 4.740 0.027 0.000 0.181 49 N C 0.426 175.922 175.510 -0.024 0.000 1.046 49 N CA 0.313 53.325 53.050 -0.063 0.000 0.904 49 N CB 0.119 38.579 38.487 -0.045 0.000 0.964 49 N HN 0.126 nan 8.380 nan 0.000 0.444 50 K N 0.688 121.073 120.400 -0.025 0.000 2.211 50 K HA 0.153 4.490 4.320 0.027 0.000 0.275 50 K C -1.502 175.085 176.600 -0.021 0.000 1.024 50 K CA -0.430 55.864 56.287 0.012 0.000 0.887 50 K CB 0.284 32.798 32.500 0.024 0.000 1.084 50 K HN -0.054 nan 8.250 nan 0.000 0.463 51 Y N 2.491 122.781 120.300 -0.017 0.000 2.486 51 Y HA 0.336 4.906 4.550 0.033 0.000 0.348 51 Y C 0.325 176.193 175.900 -0.053 0.000 1.000 51 Y CA 0.095 58.174 58.100 -0.035 0.000 1.253 51 Y CB 1.173 39.615 38.460 -0.030 0.000 1.140 51 Y HN 0.705 nan 8.280 nan 0.000 0.526 52 A N 4.623 127.465 122.820 0.036 0.000 3.113 52 A HA 0.278 4.614 4.320 0.027 0.000 0.307 52 A C -0.070 177.437 177.584 -0.129 0.000 1.025 52 A CA -0.603 51.417 52.037 -0.027 0.000 1.012 52 A CB -0.371 18.598 19.000 -0.052 0.000 1.085 52 A HN 0.767 nan 8.150 nan 0.000 0.519 53 E N 0.403 120.531 120.200 -0.120 0.000 2.415 53 E HA 0.391 4.758 4.350 0.027 0.000 0.263 53 E C 1.043 177.451 176.600 -0.320 0.000 0.995 53 E CA 1.287 57.394 56.400 -0.487 0.000 0.915 53 E CB 0.619 30.003 29.700 -0.527 0.000 0.951 53 E HN 0.942 nan 8.360 nan 0.000 0.449 54 G N 2.132 110.598 108.800 -0.555 0.000 2.445 54 G HA2 -0.224 3.753 3.960 0.027 0.000 0.212 54 G HA3 -0.224 3.753 3.960 0.027 0.000 0.212 54 G C -1.426 173.213 174.900 -0.435 0.000 1.217 54 G CA -0.653 44.422 45.100 -0.041 0.000 1.002 54 G HN 0.466 nan 8.290 nan 0.000 0.574 55 Y N -0.078 120.268 120.300 0.077 0.000 2.615 55 Y HA 0.590 5.157 4.550 0.028 0.000 0.341 55 Y C -2.119 173.793 175.900 0.019 0.000 1.089 55 Y CA -1.788 56.346 58.100 0.056 0.000 1.049 55 Y CB 2.017 40.536 38.460 0.098 0.000 1.296 55 Y HN 0.415 nan 8.280 nan 0.000 0.470 56 P HA 0.024 nan 4.420 nan 0.000 0.256 56 P C 0.679 178.019 177.300 0.066 0.000 1.173 56 P CA 2.448 65.603 63.100 0.092 0.000 0.768 56 P CB 0.072 31.829 31.700 0.095 0.000 0.758 57 G N 3.777 112.588 108.800 0.019 0.000 2.383 57 G HA2 -0.260 3.717 3.960 0.027 0.000 0.229 57 G HA3 -0.260 3.717 3.960 0.027 0.000 0.229 57 G C 0.483 175.369 174.900 -0.024 0.000 1.089 57 G CA -0.411 44.687 45.100 -0.005 0.000 0.640 57 G HN 0.535 nan 8.290 nan 0.000 0.510 58 R N 1.319 121.817 120.500 -0.003 0.000 3.760 58 R HA 0.370 4.727 4.340 0.027 0.000 0.310 58 R C 0.358 176.568 176.300 -0.150 0.000 1.414 58 R CA -0.354 55.709 56.100 -0.061 0.000 1.410 58 R CB 0.303 30.613 30.300 0.017 0.000 1.459 58 R HN 0.327 nan 8.270 nan 0.000 0.663 59 R N 0.214 120.614 120.500 -0.168 0.000 2.549 59 R HA 0.238 4.594 4.340 0.027 0.000 0.267 59 R C 0.289 176.407 176.300 -0.304 0.000 1.045 59 R CA -0.458 55.546 56.100 -0.160 0.000 1.115 59 R CB 0.513 30.774 30.300 -0.066 0.000 1.121 59 R HN 0.256 nan 8.270 nan 0.000 0.543 60 Y N -0.781 119.518 120.300 -0.002 0.000 2.658 60 Y HA 0.451 5.017 4.550 0.026 0.000 0.276 60 Y C 0.338 176.234 175.900 -0.006 0.000 1.167 60 Y CA -0.196 57.917 58.100 0.021 0.000 1.230 60 Y CB 0.883 39.384 38.460 0.068 0.000 1.144 60 Y HN 0.594 nan 8.280 nan 0.000 0.529 61 A N -0.518 122.343 122.820 0.068 0.000 2.594 61 A HA 0.692 5.028 4.320 0.027 0.000 0.296 61 A C -0.103 177.486 177.584 0.008 0.000 1.061 61 A CA -0.355 51.705 52.037 0.039 0.000 0.689 61 A CB 0.240 19.270 19.000 0.049 0.000 1.280 61 A HN 0.249 nan 8.150 nan 0.000 0.406 62 G N -0.645 108.156 108.800 0.002 0.000 2.537 62 G HA2 0.574 4.551 3.960 0.027 0.000 0.273 62 G HA3 0.574 4.551 3.960 0.027 0.000 0.273 62 G C 1.078 175.972 174.900 -0.010 0.000 1.189 62 G CA 0.165 45.257 45.100 -0.013 0.000 0.881 62 G HN 2.467 nan 8.290 nan 0.000 0.535 63 G N -1.561 107.220 108.800 -0.031 0.000 2.141 63 G HA2 -0.276 3.700 3.960 0.027 0.000 0.231 63 G HA3 -0.276 3.700 3.960 0.027 0.000 0.231 63 G C 0.888 175.765 174.900 -0.038 0.000 0.984 63 G CA 0.425 45.509 45.100 -0.027 0.000 0.660 63 G HN 0.946 nan 8.290 nan 0.000 0.525 64 C N 0.742 120.007 119.300 -0.059 0.000 2.673 64 C HA 0.339 4.815 4.460 0.027 0.000 0.274 64 C C 2.266 177.190 174.990 -0.111 0.000 1.276 64 C CA 0.515 59.502 59.018 -0.052 0.000 1.701 64 C CB -0.647 27.072 27.740 -0.035 0.000 1.836 64 C HN 0.649 nan 8.230 nan 0.000 0.596 65 E N 0.766 120.818 120.200 -0.246 0.000 2.130 65 E HA -0.216 4.150 4.350 0.027 0.000 0.196 65 E C 1.110 177.487 176.600 -0.373 0.000 0.998 65 E CA 1.814 57.972 56.400 -0.403 0.000 0.806 65 E CB -0.258 29.027 29.700 -0.693 0.000 0.738 65 E HN 0.808 nan 8.360 nan 0.000 0.459 66 Y N -0.871 119.431 120.300 0.004 0.000 2.503 66 Y HA 0.024 4.591 4.550 0.028 0.000 0.277 66 Y C 2.195 178.098 175.900 0.005 0.000 1.102 66 Y CA 0.262 58.365 58.100 0.004 0.000 1.261 66 Y CB 0.079 38.540 38.460 0.002 0.000 1.096 66 Y HN 0.012 nan 8.280 nan 0.000 0.546 67 V N -2.445 117.541 119.914 0.119 0.000 2.809 67 V HA -0.141 3.996 4.120 0.027 0.000 0.256 67 V C 1.324 177.444 176.094 0.043 0.000 1.080 67 V CA 1.713 64.055 62.300 0.070 0.000 1.102 67 V CB -0.379 31.471 31.823 0.045 0.000 0.705 67 V HN 0.135 nan 8.190 nan 0.000 0.475 68 D N 1.326 121.741 120.400 0.024 0.000 2.117 68 D HA -0.097 4.559 4.640 0.027 0.000 0.197 68 D C 2.045 178.369 176.300 0.041 0.000 0.987 68 D CA 2.038 56.051 54.000 0.022 0.000 0.829 68 D CB -0.305 40.491 40.800 -0.006 0.000 0.961 68 D HN 0.540 nan 8.370 nan 0.000 0.460 69 I N 0.136 120.737 120.570 0.052 0.000 2.179 69 I HA -0.237 3.949 4.170 0.027 0.000 0.242 69 I C 2.429 178.582 176.117 0.060 0.000 1.088 69 I CA 0.591 61.929 61.300 0.063 0.000 1.357 69 I CB -0.358 37.698 38.000 0.092 0.000 1.051 69 I HN -0.099 nan 8.210 nan 0.000 0.409 70 V N 0.777 120.729 119.914 0.062 0.000 2.287 70 V HA -0.335 3.801 4.120 0.027 0.000 0.248 70 V C 2.554 178.678 176.094 0.050 0.000 1.053 70 V CA 2.338 64.667 62.300 0.049 0.000 1.027 70 V CB -0.596 31.253 31.823 0.044 0.000 0.646 70 V HN 0.487 nan 8.190 nan 0.000 0.447 71 E N -0.559 119.671 120.200 0.051 0.000 2.072 71 E HA -0.216 4.151 4.350 0.027 0.000 0.191 71 E C 2.287 178.933 176.600 0.076 0.000 0.985 71 E CA 1.055 57.493 56.400 0.063 0.000 0.801 71 E CB -0.005 29.731 29.700 0.061 0.000 0.750 71 E HN 0.552 nan 8.360 nan 0.000 0.452 72 E N 0.512 120.752 120.200 0.067 0.000 2.077 72 E HA -0.187 4.180 4.350 0.027 0.000 0.193 72 E C 2.301 178.937 176.600 0.059 0.000 0.989 72 E CA 0.707 57.143 56.400 0.060 0.000 0.800 72 E CB -0.169 29.561 29.700 0.050 0.000 0.746 72 E HN 0.378 nan 8.360 nan 0.000 0.452 73 L N 0.423 121.684 121.223 0.062 0.000 2.046 73 L HA -0.196 4.161 4.340 0.027 0.000 0.208 73 L C 2.552 179.489 176.870 0.112 0.000 1.077 73 L CA 1.242 56.123 54.840 0.068 0.000 0.747 73 L CB -0.449 41.643 42.059 0.056 0.000 0.896 73 L HN 0.074 nan 8.230 nan 0.000 0.432 74 A N -0.178 122.725 122.820 0.140 0.000 1.898 74 A HA -0.179 4.158 4.320 0.027 0.000 0.216 74 A C 2.384 180.107 177.584 0.232 0.000 1.181 74 A CA 1.321 53.524 52.037 0.277 0.000 0.620 74 A CB -0.402 18.729 19.000 0.219 0.000 0.819 74 A HN 0.307 nan 8.150 nan 0.000 0.442 75 R N -0.613 119.950 120.500 0.105 0.000 2.066 75 R HA -0.074 4.283 4.340 0.027 0.000 0.232 75 R C 1.991 178.275 176.300 -0.027 0.000 1.131 75 R CA 1.299 57.407 56.100 0.012 0.000 0.955 75 R CB -0.264 30.035 30.300 -0.001 0.000 0.851 75 R HN 0.459 nan 8.270 nan 0.000 0.432 76 E N 0.588 120.791 120.200 0.006 0.000 2.107 76 E HA -0.114 4.252 4.350 0.027 0.000 0.191 76 E C 2.017 178.601 176.600 -0.027 0.000 0.982 76 E CA 0.943 57.339 56.400 -0.008 0.000 0.809 76 E CB -0.059 29.648 29.700 0.010 0.000 0.756 76 E HN 0.281 nan 8.360 nan 0.000 0.459 77 R N 0.508 121.006 120.500 -0.003 0.000 2.092 77 R HA -0.013 4.343 4.340 0.027 0.000 0.231 77 R C 2.303 178.499 176.300 -0.174 0.000 1.119 77 R CA 1.168 57.254 56.100 -0.023 0.000 0.970 77 R CB -0.244 30.121 30.300 0.107 0.000 0.864 77 R HN 0.089 nan 8.270 nan 0.000 0.440 78 A N 1.334 123.962 122.820 -0.320 0.000 1.930 78 A HA -0.168 4.168 4.320 0.027 0.000 0.217 78 A C 1.863 179.362 177.584 -0.141 0.000 1.175 78 A CA 1.296 53.051 52.037 -0.470 0.000 0.627 78 A CB -0.181 18.435 19.000 -0.640 0.000 0.815 78 A HN 0.175 nan 8.150 nan 0.000 0.443 79 K N -0.714 119.624 120.400 -0.104 0.000 2.057 79 K HA -0.167 4.169 4.320 0.027 0.000 0.207 79 K C 2.355 178.927 176.600 -0.048 0.000 1.049 79 K CA 1.531 57.792 56.287 -0.044 0.000 0.931 79 K CB -0.138 32.339 32.500 -0.039 0.000 0.714 79 K HN 0.644 nan 8.250 nan 0.000 0.440 80 Q N 0.550 120.302 119.800 -0.079 0.000 2.119 80 Q HA -0.144 4.212 4.340 0.027 0.000 0.201 80 Q C 2.030 177.946 176.000 -0.140 0.000 0.972 80 Q CA 0.948 56.702 55.803 -0.083 0.000 0.847 80 Q CB 0.096 28.792 28.738 -0.069 0.000 0.903 80 Q HN 0.167 nan 8.270 nan 0.000 0.433 81 L N -0.678 120.394 121.223 -0.251 0.000 2.072 81 L HA -0.044 4.313 4.340 0.027 0.000 0.205 81 L C 1.146 177.670 176.870 -0.576 0.000 1.079 81 L CA 1.715 56.263 54.840 -0.488 0.000 0.752 81 L CB -0.105 41.492 42.059 -0.770 0.000 0.906 81 L HN 0.207 nan 8.230 nan 0.000 0.436 82 F N -0.885 119.009 119.950 -0.094 0.000 2.706 82 F HA 0.434 4.975 4.527 0.025 0.000 0.308 82 F C 1.682 177.451 175.800 -0.053 0.000 1.095 82 F CA 0.240 58.200 58.000 -0.068 0.000 1.244 82 F CB -0.208 38.733 39.000 -0.097 0.000 1.063 82 F HN 0.060 nan 8.300 nan 0.000 0.582 83 G N 1.275 110.118 108.800 0.072 0.000 2.198 83 G HA2 -0.070 3.907 3.960 0.027 0.000 0.257 83 G HA3 -0.070 3.907 3.960 0.027 0.000 0.257 83 G C 0.173 175.092 174.900 0.033 0.000 1.042 83 G CA 0.007 45.128 45.100 0.034 0.000 0.791 83 G HN 0.642 nan 8.290 nan 0.000 0.502 84 A N -0.812 122.034 122.820 0.043 0.000 2.293 84 A HA 0.791 5.127 4.320 0.027 0.000 0.302 84 A C 0.999 178.593 177.584 0.017 0.000 1.119 84 A CA 0.403 52.453 52.037 0.021 0.000 0.823 84 A CB 0.667 19.674 19.000 0.012 0.000 1.097 84 A HN 0.382 nan 8.150 nan 0.000 0.491 85 E N -0.319 119.897 120.200 0.026 0.000 2.230 85 E HA -0.022 4.345 4.350 0.027 0.000 0.192 85 E C 0.170 176.834 176.600 0.107 0.000 0.987 85 E CA 0.698 57.123 56.400 0.042 0.000 0.841 85 E CB 0.132 29.846 29.700 0.023 0.000 0.783 85 E HN 0.679 nan 8.360 nan 0.000 0.481 86 H N -1.136 117.927 119.070 -0.011 0.000 2.974 86 H HA 0.584 5.157 4.556 0.029 0.000 0.366 86 H C -1.875 173.452 175.328 -0.002 0.000 1.155 86 H CA -0.609 55.435 56.048 -0.006 0.000 1.186 86 H CB 1.971 31.733 29.762 -0.001 0.000 1.799 86 H HN 0.017 nan 8.280 nan 0.000 0.541 87 A N 3.941 126.366 122.820 -0.658 0.000 2.414 87 A HA 0.339 4.675 4.320 0.027 0.000 0.306 87 A C -1.056 176.217 177.584 -0.518 0.000 1.054 87 A CA -0.881 50.897 52.037 -0.432 0.000 0.724 87 A CB 1.602 20.465 19.000 -0.228 0.000 1.267 87 A HN 0.678 nan 8.150 nan 0.000 0.418 88 N N 1.949 120.527 118.700 -0.204 0.000 2.491 88 N HA 0.322 5.079 4.740 0.027 0.000 0.274 88 N C -0.084 175.449 175.510 0.038 0.000 1.023 88 N CA -0.166 52.871 53.050 -0.021 0.000 0.902 88 N CB 1.929 40.473 38.487 0.096 0.000 1.267 88 N HN 0.726 nan 8.380 nan 0.000 0.503 89 V N 1.226 121.187 119.914 0.078 0.000 3.342 89 V HA 0.262 4.399 4.120 0.027 0.000 0.322 89 V C 1.149 177.275 176.094 0.052 0.000 1.370 89 V CA 0.216 62.575 62.300 0.099 0.000 1.170 89 V CB 0.031 31.953 31.823 0.165 0.000 1.101 89 V HN 0.535 nan 8.190 nan 0.000 0.442 90 Q N 0.476 120.296 119.800 0.033 0.000 2.402 90 Q HA 0.209 4.565 4.340 0.027 0.000 0.206 90 Q C -1.705 174.193 176.000 -0.171 0.000 0.919 90 Q CA -0.687 55.079 55.803 -0.063 0.000 0.923 90 Q CB -0.413 28.283 28.738 -0.071 0.000 1.048 90 Q HN 0.556 nan 8.270 nan 0.000 0.515 91 P HA -0.096 nan 4.420 nan 0.000 0.263 91 P C -0.064 177.172 177.300 -0.107 0.000 1.195 91 P CA 0.564 63.583 63.100 -0.135 0.000 0.762 91 P CB 0.421 32.096 31.700 -0.042 0.000 0.799 92 H N 0.576 119.636 119.070 -0.017 0.000 2.489 92 H HA 0.000 4.572 4.556 0.026 0.000 0.293 92 H C 0.978 176.298 175.328 -0.014 0.000 1.066 92 H CA 1.180 57.210 56.048 -0.031 0.000 1.305 92 H CB 0.114 29.853 29.762 -0.040 0.000 1.386 92 H HN 0.500 nan 8.280 nan 0.000 0.551 93 S N -2.811 112.953 115.700 0.107 0.000 2.636 93 S HA 0.407 4.893 4.470 0.027 0.000 0.268 93 S C 1.282 175.925 174.600 0.071 0.000 1.159 93 S CA -0.399 57.860 58.200 0.098 0.000 0.815 93 S CB 1.152 64.406 63.200 0.091 0.000 1.130 93 S HN 0.089 nan 8.310 nan 0.000 0.471 94 G N 0.436 109.283 108.800 0.079 0.000 2.422 94 G HA2 0.159 4.135 3.960 0.027 0.000 0.218 94 G HA3 0.159 4.135 3.960 0.027 0.000 0.218 94 G C 1.434 176.369 174.900 0.058 0.000 1.140 94 G CA 0.987 46.102 45.100 0.026 0.000 0.775 94 G HN 1.283 nan 8.290 nan 0.000 0.545 95 A N 0.242 123.129 122.820 0.112 0.000 1.902 95 A HA -0.062 4.274 4.320 0.027 0.000 0.217 95 A C 2.350 180.004 177.584 0.117 0.000 1.181 95 A CA 2.053 54.208 52.037 0.196 0.000 0.623 95 A CB -0.315 18.810 19.000 0.208 0.000 0.818 95 A HN 0.341 nan 8.150 nan 0.000 0.443 96 Q N -0.620 119.199 119.800 0.032 0.000 2.245 96 Q HA 0.191 4.548 4.340 0.027 0.000 0.201 96 Q C 2.212 178.192 176.000 -0.033 0.000 0.955 96 Q CA 1.316 57.099 55.803 -0.034 0.000 0.870 96 Q CB -0.540 28.183 28.738 -0.024 0.000 0.945 96 Q HN 0.642 nan 8.270 nan 0.000 0.461 97 A N 0.744 123.555 122.820 -0.015 0.000 1.877 97 A HA -0.209 4.128 4.320 0.027 0.000 0.216 97 A C 1.755 179.289 177.584 -0.084 0.000 1.186 97 A CA 1.695 53.710 52.037 -0.037 0.000 0.620 97 A CB -0.523 18.459 19.000 -0.029 0.000 0.822 97 A HN 0.324 nan 8.150 nan 0.000 0.443 98 N N -0.598 118.057 118.700 -0.075 0.000 2.142 98 N HA -0.134 4.622 4.740 0.027 0.000 0.186 98 N C 1.710 177.001 175.510 -0.365 0.000 1.023 98 N CA 1.628 54.525 53.050 -0.255 0.000 0.852 98 N CB -0.513 37.941 38.487 -0.054 0.000 0.998 98 N HN 0.624 nan 8.380 nan 0.000 0.424 99 M N 0.477 120.111 119.600 0.056 0.000 2.108 99 M HA -0.124 4.373 4.480 0.027 0.000 0.261 99 M C 1.804 178.178 176.300 0.124 0.000 1.066 99 M CA 1.555 56.978 55.300 0.206 0.000 1.107 99 M CB 0.000 32.501 32.600 -0.165 0.000 1.356 99 M HN 0.185 nan 8.290 nan 0.000 0.406 100 A N -0.551 122.266 122.820 -0.005 0.000 1.898 100 A HA -0.091 4.245 4.320 0.027 0.000 0.216 100 A C 2.008 179.596 177.584 0.007 0.000 1.181 100 A CA 1.682 53.735 52.037 0.027 0.000 0.620 100 A CB -0.996 18.003 19.000 -0.002 0.000 0.819 100 A HN 0.414 nan 8.150 nan 0.000 0.442 101 V N -0.985 118.823 119.914 -0.178 0.000 2.295 101 V HA -0.272 3.864 4.120 0.027 0.000 0.246 101 V C 2.431 178.343 176.094 -0.303 0.000 1.049 101 V CA 1.917 63.972 62.300 -0.408 0.000 1.024 101 V CB -1.146 30.345 31.823 -0.554 0.000 0.648 101 V HN 0.631 nan 8.190 nan 0.000 0.447 102 Y N -0.830 119.407 120.300 -0.104 0.000 2.165 102 Y HA -0.223 4.344 4.550 0.028 0.000 0.286 102 Y C 2.283 178.200 175.900 0.028 0.000 1.155 102 Y CA 1.072 59.093 58.100 -0.132 0.000 1.164 102 Y CB -1.224 37.255 38.460 0.032 0.000 0.978 102 Y HN 0.268 nan 8.280 nan 0.000 0.513 103 F N 0.567 120.633 119.950 0.193 0.000 2.269 103 F HA -0.209 4.335 4.527 0.029 0.000 0.301 103 F C 2.134 177.955 175.800 0.035 0.000 1.082 103 F CA 1.802 59.893 58.000 0.151 0.000 1.360 103 F CB -0.382 38.683 39.000 0.109 0.000 1.041 103 F HN -0.033 nan 8.300 nan 0.000 0.512 104 T N -0.547 114.014 114.554 0.011 0.000 2.698 104 T HA -0.101 4.265 4.350 0.027 0.000 0.260 104 T C 1.917 176.497 174.700 -0.200 0.000 1.044 104 T CA 1.932 63.968 62.100 -0.108 0.000 1.149 104 T CB -0.587 68.179 68.868 -0.169 0.000 0.864 104 T HN 0.186 nan 8.240 nan 0.000 0.419 105 V N -1.078 118.647 119.914 -0.314 0.000 3.621 105 V HA 0.479 4.615 4.120 0.027 0.000 0.285 105 V C 0.270 176.252 176.094 -0.187 0.000 1.346 105 V CA -0.053 62.040 62.300 -0.346 0.000 1.104 105 V CB -0.815 30.580 31.823 -0.714 0.000 0.913 105 V HN 0.236 nan 8.190 nan 0.000 0.432 106 L N 0.591 121.729 121.223 -0.141 0.000 2.381 106 L HA 0.661 5.018 4.340 0.027 0.000 0.268 106 L C -0.239 176.665 176.870 0.057 0.000 0.997 106 L CA -0.555 54.246 54.840 -0.064 0.000 0.818 106 L CB 2.295 44.214 42.059 -0.233 0.000 1.310 106 L HN 0.094 nan 8.230 nan 0.000 0.416 107 E N -0.470 119.782 120.200 0.086 0.000 2.280 107 E HA 0.218 4.584 4.350 0.027 0.000 0.264 107 E C -0.857 175.872 176.600 0.216 0.000 1.064 107 E CA -0.869 55.598 56.400 0.112 0.000 0.900 107 E CB 1.076 30.813 29.700 0.062 0.000 1.123 107 E HN 0.459 nan 8.360 nan 0.000 0.418 108 H N -0.069 119.038 119.070 0.061 0.000 3.034 108 H HA 0.123 4.695 4.556 0.027 0.000 0.324 108 H C 1.043 176.377 175.328 0.011 0.000 1.015 108 H CA 1.663 57.696 56.048 -0.025 0.000 1.429 108 H CB 0.164 29.892 29.762 -0.057 0.000 1.429 108 H HN 0.672 nan 8.280 nan 0.000 0.585 109 G N 3.695 112.150 108.800 -0.575 0.000 2.176 109 G HA2 -0.276 3.701 3.960 0.027 0.000 0.253 109 G HA3 -0.276 3.701 3.960 0.027 0.000 0.253 109 G C -0.016 174.813 174.900 -0.117 0.000 0.979 109 G CA 0.108 44.969 45.100 -0.398 0.000 0.641 109 G HN 0.738 nan 8.290 nan 0.000 0.530 110 D N 1.289 121.690 120.400 0.001 0.000 2.423 110 D HA 0.407 5.063 4.640 0.027 0.000 0.238 110 D C 0.841 177.087 176.300 -0.091 0.000 1.142 110 D CA 0.730 54.721 54.000 -0.016 0.000 0.884 110 D CB 0.751 41.550 40.800 -0.001 0.000 1.199 110 D HN 0.118 nan 8.370 nan 0.000 0.438 111 T N 1.470 115.955 114.554 -0.116 0.000 2.794 111 T HA 0.368 4.734 4.350 0.027 0.000 0.296 111 T C 0.080 174.607 174.700 -0.288 0.000 0.949 111 T CA -0.505 61.489 62.100 -0.177 0.000 1.101 111 T CB 0.664 69.478 68.868 -0.090 0.000 0.905 111 T HN 0.002 nan 8.240 nan 0.000 0.516 112 V N 4.308 123.907 119.914 -0.525 0.000 2.656 112 V HA 0.501 4.637 4.120 0.027 0.000 0.307 112 V C -0.581 175.182 176.094 -0.551 0.000 1.051 112 V CA -1.079 60.797 62.300 -0.707 0.000 0.893 112 V CB 1.973 32.934 31.823 -1.436 0.000 0.999 112 V HN 0.668 nan 8.190 nan 0.000 0.426 113 L N 4.031 125.127 121.223 -0.212 0.000 2.280 113 L HA 0.913 5.269 4.340 0.027 0.000 0.287 113 L C 0.328 177.303 176.870 0.175 0.000 1.023 113 L CA 0.563 55.421 54.840 0.029 0.000 0.819 113 L CB 0.716 42.871 42.059 0.160 0.000 1.212 113 L HN 0.811 nan 8.230 nan 0.000 0.420 114 G N 4.042 112.943 108.800 0.169 0.000 2.816 114 G HA2 0.454 4.430 3.960 0.027 0.000 0.288 114 G HA3 0.454 4.430 3.960 0.027 0.000 0.288 114 G C -1.105 173.464 174.900 -0.552 0.000 1.334 114 G CA -0.938 44.199 45.100 0.061 0.000 0.978 114 G HN 0.612 nan 8.290 nan 0.000 0.493 115 M N 1.393 120.595 119.600 -0.663 0.000 2.217 115 M HA 0.175 4.672 4.480 0.027 0.000 0.354 115 M C 0.447 176.466 176.300 -0.468 0.000 1.225 115 M CA -0.681 54.065 55.300 -0.922 0.000 1.137 115 M CB 0.513 32.868 32.600 -0.407 0.000 1.576 115 M HN 0.563 nan 8.290 nan 0.000 0.461 116 N N 3.491 121.899 118.700 -0.488 0.000 2.359 116 N HA -0.065 4.692 4.740 0.027 0.000 0.261 116 N C 0.434 175.810 175.510 -0.223 0.000 1.267 116 N CA 0.250 53.067 53.050 -0.389 0.000 0.864 116 N CB 0.632 38.698 38.487 -0.702 0.000 1.063 116 N HN 0.683 nan 8.380 nan 0.000 0.474 117 L N 2.947 124.058 121.223 -0.187 0.000 2.093 117 L HA -0.150 4.206 4.340 0.027 0.000 0.208 117 L C 2.285 179.106 176.870 -0.082 0.000 1.085 117 L CA 1.309 56.069 54.840 -0.134 0.000 0.755 117 L CB -0.518 41.439 42.059 -0.171 0.000 0.904 117 L HN 0.693 nan 8.230 nan 0.000 0.435 118 S N -2.788 112.878 115.700 -0.057 0.000 2.562 118 S HA -0.038 4.449 4.470 0.027 0.000 0.221 118 S C 1.550 176.212 174.600 0.103 0.000 0.975 118 S CA 0.259 58.465 58.200 0.009 0.000 0.918 118 S CB -0.639 62.567 63.200 0.011 0.000 0.772 118 S HN 0.549 nan 8.310 nan 0.000 0.531 119 H N 0.134 119.122 119.070 -0.137 0.000 2.622 119 H HA 0.333 4.905 4.556 0.027 0.000 0.269 119 H C 1.605 176.921 175.328 -0.020 0.000 0.977 119 H CA 0.200 56.190 56.048 -0.097 0.000 1.179 119 H CB 0.673 30.358 29.762 -0.130 0.000 1.458 119 H HN 0.622 nan 8.280 nan 0.000 0.531 120 G N 0.386 109.235 108.800 0.082 0.000 2.977 120 G HA2 -0.177 3.800 3.960 0.027 0.000 0.211 120 G HA3 -0.177 3.800 3.960 0.027 0.000 0.211 120 G C 0.754 175.688 174.900 0.057 0.000 0.994 120 G CA -0.312 44.834 45.100 0.077 0.000 0.795 120 G HN 0.514 nan 8.290 nan 0.000 0.518 121 G N -0.045 108.769 108.800 0.022 0.000 2.614 121 G HA2 0.427 4.403 3.960 0.027 0.000 0.239 121 G HA3 0.427 4.403 3.960 0.027 0.000 0.239 121 G C -0.153 174.772 174.900 0.042 0.000 1.240 121 G CA 0.291 45.435 45.100 0.073 0.000 0.842 121 G HN 0.488 nan 8.290 nan 0.000 0.584 122 H N 0.980 119.979 119.070 -0.117 0.000 2.496 122 H HA 0.166 4.738 4.556 0.027 0.000 0.342 122 H C 1.342 176.431 175.328 -0.399 0.000 1.170 122 H CA -0.914 54.907 56.048 -0.379 0.000 1.274 122 H CB 1.707 31.084 29.762 -0.642 0.000 1.538 122 H HN 0.304 nan 8.280 nan 0.000 0.542 123 L N 2.665 123.158 121.223 -1.217 0.000 2.081 123 L HA -0.207 4.149 4.340 0.027 0.000 0.212 123 L C 2.285 178.778 176.870 -0.628 0.000 1.080 123 L CA 2.489 56.827 54.840 -0.838 0.000 0.754 123 L CB -0.557 41.031 42.059 -0.784 0.000 0.893 123 L HN 0.841 nan 8.230 nan 0.000 0.433 124 T N -5.160 109.065 114.554 -0.548 0.000 3.194 124 T HA -0.019 4.347 4.350 0.027 0.000 0.251 124 T C 0.863 175.473 174.700 -0.150 0.000 1.132 124 T CA 0.471 62.445 62.100 -0.209 0.000 1.028 124 T CB -0.867 68.131 68.868 0.216 0.000 0.976 124 T HN 0.579 nan 8.240 nan 0.000 0.535 125 H N 0.664 119.553 119.070 -0.302 0.000 2.503 125 H HA 0.506 5.079 4.556 0.027 0.000 0.296 125 H C 1.306 176.022 175.328 -1.021 0.000 1.097 125 H CA -0.466 55.333 56.048 -0.415 0.000 1.055 125 H CB 0.169 29.870 29.762 -0.101 0.000 1.580 125 H HN 0.498 nan 8.280 nan 0.000 0.546 126 G N 0.948 108.987 108.800 -1.268 0.000 2.157 126 G HA2 -0.257 3.720 3.960 0.027 0.000 0.118 126 G HA3 -0.257 3.720 3.960 0.027 0.000 0.118 126 G C -0.014 174.560 174.900 -0.543 0.000 1.032 126 G CA -0.118 44.203 45.100 -1.299 0.000 0.697 126 G HN 0.347 nan 8.290 nan 0.000 0.495 127 S N 1.103 116.526 115.700 -0.460 0.000 2.531 127 S HA 0.496 4.982 4.470 0.027 0.000 0.279 127 S C 0.052 174.523 174.600 -0.216 0.000 1.305 127 S CA -0.433 57.593 58.200 -0.290 0.000 1.058 127 S CB 1.150 64.185 63.200 -0.275 0.000 0.899 127 S HN 0.186 nan 8.310 nan 0.000 0.493 128 P HA -0.037 nan 4.420 nan 0.000 0.230 128 P C 1.015 178.280 177.300 -0.060 0.000 1.158 128 P CA 0.778 63.827 63.100 -0.085 0.000 0.769 128 P CB -0.240 31.425 31.700 -0.058 0.000 0.807 129 V N -4.532 115.344 119.914 -0.064 0.000 3.621 129 V HA 0.266 4.402 4.120 0.027 0.000 0.285 129 V C 0.807 176.884 176.094 -0.028 0.000 1.346 129 V CA -0.378 61.904 62.300 -0.029 0.000 1.104 129 V CB -0.899 30.920 31.823 -0.006 0.000 0.913 129 V HN 0.015 nan 8.190 nan 0.000 0.432 130 N N 0.587 119.239 118.700 -0.080 0.000 2.472 130 N HA 0.242 4.998 4.740 0.027 0.000 0.289 130 N C 1.002 176.476 175.510 -0.060 0.000 1.156 130 N CA -0.102 52.907 53.050 -0.070 0.000 0.940 130 N CB 2.111 40.474 38.487 -0.206 0.000 1.200 130 N HN 0.215 nan 8.380 nan 0.000 0.511 131 F N 1.658 121.611 119.950 0.006 0.000 2.202 131 F HA -0.148 4.396 4.527 0.028 0.000 0.301 131 F C 2.289 178.120 175.800 0.053 0.000 1.082 131 F CA 1.375 59.397 58.000 0.036 0.000 1.313 131 F CB -0.923 38.125 39.000 0.081 0.000 1.024 131 F HN 0.424 nan 8.300 nan 0.000 0.495 132 S N 0.445 115.593 115.700 -0.919 0.000 2.368 132 S HA -0.031 4.455 4.470 0.027 0.000 0.225 132 S C 2.272 176.765 174.600 -0.178 0.000 1.030 132 S CA 0.897 58.740 58.200 -0.596 0.000 0.999 132 S CB -1.605 61.041 63.200 -0.925 0.000 0.844 132 S HN 0.547 nan 8.310 nan 0.000 0.459 133 G N 0.610 109.243 108.800 -0.278 0.000 2.511 133 G HA2 0.076 4.053 3.960 0.027 0.000 0.217 133 G HA3 0.076 4.053 3.960 0.027 0.000 0.217 133 G C 1.330 176.209 174.900 -0.035 0.000 1.133 133 G CA 0.684 45.719 45.100 -0.108 0.000 0.792 133 G HN 0.471 nan 8.290 nan 0.000 0.539 134 V N 0.101 119.985 119.914 -0.050 0.000 2.446 134 V HA -0.081 4.056 4.120 0.027 0.000 0.244 134 V C 2.609 178.675 176.094 -0.047 0.000 1.039 134 V CA 1.914 64.203 62.300 -0.018 0.000 1.045 134 V CB 0.101 31.935 31.823 0.020 0.000 0.681 134 V HN 0.390 nan 8.190 nan 0.000 0.459 135 Q N -0.674 119.049 119.800 -0.128 0.000 2.187 135 Q HA 0.005 4.362 4.340 0.027 0.000 0.199 135 Q C -0.098 175.478 176.000 -0.707 0.000 0.957 135 Q CA 1.220 56.799 55.803 -0.373 0.000 0.857 135 Q CB 0.120 28.534 28.738 -0.539 0.000 0.929 135 Q HN 0.660 nan 8.270 nan 0.000 0.453 136 Y N -0.908 119.367 120.300 -0.040 0.000 2.570 136 Y HA 0.387 4.952 4.550 0.027 0.000 0.345 136 Y C -0.523 175.331 175.900 -0.077 0.000 1.014 136 Y CA -1.836 56.193 58.100 -0.120 0.000 1.063 136 Y CB 0.865 39.220 38.460 -0.175 0.000 1.272 136 Y HN -0.169 nan 8.280 nan 0.000 0.477 137 N N 1.453 120.148 118.700 -0.008 0.000 2.663 137 N HA 0.196 4.953 4.740 0.027 0.000 0.250 137 N C -1.742 173.699 175.510 -0.114 0.000 1.129 137 N CA -0.024 52.995 53.050 -0.051 0.000 0.995 137 N CB -0.329 38.108 38.487 -0.085 0.000 1.324 137 N HN 0.428 nan 8.380 nan 0.000 0.512 138 F N 2.772 122.651 119.950 -0.117 0.000 2.424 138 F HA 0.224 4.768 4.527 0.027 0.000 0.356 138 F C 0.602 176.296 175.800 -0.177 0.000 1.110 138 F CA -0.498 57.416 58.000 -0.144 0.000 1.161 138 F CB 0.761 39.672 39.000 -0.149 0.000 1.115 138 F HN 0.116 nan 8.300 nan 0.000 0.507 139 V N 1.321 121.181 119.914 -0.091 0.000 2.732 139 V HA 0.952 5.089 4.120 0.027 0.000 0.310 139 V C -0.342 175.713 176.094 -0.065 0.000 1.053 139 V CA -1.079 61.112 62.300 -0.182 0.000 0.957 139 V CB 1.322 32.842 31.823 -0.506 0.000 1.018 139 V HN 0.833 nan 8.190 nan 0.000 0.452 140 A N 2.815 125.580 122.820 -0.092 0.000 2.350 140 A HA 0.905 5.242 4.320 0.027 0.000 0.324 140 A C -0.890 176.653 177.584 -0.068 0.000 1.118 140 A CA -0.717 51.233 52.037 -0.144 0.000 0.783 140 A CB 1.264 20.136 19.000 -0.215 0.000 1.236 140 A HN 1.440 nan 8.150 nan 0.000 0.457 141 Y N 0.101 120.383 120.300 -0.031 0.000 2.496 141 Y HA 0.841 5.408 4.550 0.027 0.000 0.331 141 Y C 0.467 176.309 175.900 -0.098 0.000 1.140 141 Y CA -0.807 57.270 58.100 -0.039 0.000 1.166 141 Y CB 0.918 39.374 38.460 -0.007 0.000 1.249 141 Y HN 0.785 nan 8.280 nan 0.000 0.479 142 G N 0.387 109.267 108.800 0.133 0.000 3.108 142 G HA2 0.620 4.596 3.960 0.027 0.000 0.268 142 G HA3 0.620 4.596 3.960 0.027 0.000 0.268 142 G C -1.043 174.035 174.900 0.297 0.000 1.361 142 G CA -0.622 44.544 45.100 0.111 0.000 1.047 142 G HN 1.104 nan 8.290 nan 0.000 0.540 143 V N -2.315 117.884 119.914 0.475 0.000 2.975 143 V HA 0.549 4.685 4.120 0.027 0.000 0.318 143 V C -0.110 176.193 176.094 0.347 0.000 1.077 143 V CA -1.145 61.351 62.300 0.326 0.000 1.000 143 V CB 1.839 33.858 31.823 0.327 0.000 1.066 143 V HN 0.651 nan 8.190 nan 0.000 0.452 144 D N 3.292 123.820 120.400 0.212 0.000 2.458 144 D HA 0.144 4.801 4.640 0.027 0.000 0.243 144 D C -1.534 174.809 176.300 0.071 0.000 1.146 144 D CA -1.178 52.894 54.000 0.120 0.000 0.877 144 D CB 2.011 42.835 40.800 0.040 0.000 1.176 144 D HN 0.509 nan 8.370 nan 0.000 0.461 145 P HA -0.092 nan 4.420 nan 0.000 0.230 145 P C 0.741 177.856 177.300 -0.308 0.000 1.158 145 P CA 0.872 63.762 63.100 -0.350 0.000 0.769 145 P CB 0.572 31.844 31.700 -0.714 0.000 0.807 146 E N -0.110 119.911 120.200 -0.298 0.000 2.206 146 E HA -0.036 4.330 4.350 0.027 0.000 0.195 146 E C 1.830 178.135 176.600 -0.491 0.000 0.935 146 E CA 1.258 57.466 56.400 -0.320 0.000 0.875 146 E CB -0.327 29.270 29.700 -0.172 0.000 0.841 146 E HN 0.169 nan 8.360 nan 0.000 0.477 147 T N -3.457 110.870 114.554 -0.378 0.000 3.014 147 T HA 0.094 4.461 4.350 0.027 0.000 0.250 147 T C 0.084 174.687 174.700 -0.161 0.000 1.060 147 T CA 0.538 62.493 62.100 -0.240 0.000 1.040 147 T CB -0.357 68.469 68.868 -0.069 0.000 0.971 147 T HN 0.358 nan 8.240 nan 0.000 0.497 148 H N -0.423 118.702 119.070 0.092 0.000 2.921 148 H HA -0.100 4.472 4.556 0.028 0.000 0.281 148 H C -0.468 174.995 175.328 0.225 0.000 1.165 148 H CA 0.259 56.389 56.048 0.136 0.000 1.151 148 H CB -2.471 27.344 29.762 0.088 0.000 1.311 148 H HN 0.358 nan 8.280 nan 0.000 0.361 149 V N 1.247 121.319 119.914 0.264 0.000 2.481 149 V HA 0.173 4.310 4.120 0.027 0.000 0.286 149 V C 1.306 177.547 176.094 0.244 0.000 1.042 149 V CA -0.672 61.827 62.300 0.330 0.000 0.928 149 V CB 1.559 33.513 31.823 0.218 0.000 0.986 149 V HN 0.217 nan 8.190 nan 0.000 0.462 150 I N 3.643 124.319 120.570 0.178 0.000 2.919 150 I HA -0.087 4.100 4.170 0.027 0.000 0.299 150 I C 0.724 176.661 176.117 -0.301 0.000 1.221 150 I CA 0.647 61.831 61.300 -0.194 0.000 1.424 150 I CB 0.027 37.683 38.000 -0.572 0.000 1.358 150 I HN 0.647 nan 8.210 nan 0.000 0.551 151 D N 7.210 127.513 120.400 -0.162 0.000 2.402 151 D HA 0.021 4.677 4.640 0.027 0.000 0.235 151 D C 0.587 176.749 176.300 -0.229 0.000 1.226 151 D CA 0.004 53.948 54.000 -0.092 0.000 0.918 151 D CB 0.402 41.217 40.800 0.026 0.000 1.043 151 D HN 0.350 nan 8.370 nan 0.000 0.506 152 Y N 1.432 121.646 120.300 -0.142 0.000 2.439 152 Y HA -0.085 4.481 4.550 0.027 0.000 0.292 152 Y C 1.984 177.763 175.900 -0.202 0.000 1.130 152 Y CA 0.456 58.393 58.100 -0.272 0.000 1.254 152 Y CB 0.274 38.562 38.460 -0.287 0.000 1.000 152 Y HN 0.366 nan 8.280 nan 0.000 0.554 153 D N -0.172 120.234 120.400 0.011 0.000 2.224 153 D HA -0.157 4.499 4.640 0.027 0.000 0.205 153 D C 1.544 177.832 176.300 -0.019 0.000 0.965 153 D CA 1.326 55.322 54.000 -0.007 0.000 0.852 153 D CB -0.143 40.663 40.800 0.009 0.000 0.947 153 D HN 0.417 nan 8.370 nan 0.000 0.494 154 D N 0.159 120.546 120.400 -0.023 0.000 2.162 154 D HA -0.101 4.555 4.640 0.027 0.000 0.203 154 D C 2.068 178.364 176.300 -0.006 0.000 0.967 154 D CA 0.465 54.470 54.000 0.009 0.000 0.840 154 D CB 0.239 41.070 40.800 0.051 0.000 0.972 154 D HN -0.098 nan 8.370 nan 0.000 0.482 155 V N 0.492 120.326 119.914 -0.133 0.000 2.407 155 V HA -0.187 3.950 4.120 0.027 0.000 0.248 155 V C 2.621 178.649 176.094 -0.110 0.000 1.055 155 V CA 1.828 63.987 62.300 -0.236 0.000 1.049 155 V CB -0.611 30.806 31.823 -0.676 0.000 0.662 155 V HN 0.213 nan 8.190 nan 0.000 0.455 156 R N -0.023 120.420 120.500 -0.096 0.000 2.073 156 R HA -0.180 4.176 4.340 0.027 0.000 0.229 156 R C 2.435 178.725 176.300 -0.017 0.000 1.120 156 R CA 1.799 57.869 56.100 -0.050 0.000 0.967 156 R CB -0.170 30.102 30.300 -0.047 0.000 0.862 156 R HN 0.681 nan 8.270 nan 0.000 0.436 157 E N 0.222 120.417 120.200 -0.009 0.000 2.072 157 E HA -0.173 4.193 4.350 0.027 0.000 0.191 157 E C 1.541 178.145 176.600 0.007 0.000 0.985 157 E CA 0.977 57.374 56.400 -0.004 0.000 0.801 157 E CB 0.238 29.939 29.700 0.002 0.000 0.750 157 E HN 0.109 nan 8.360 nan 0.000 0.452 158 K N 0.193 120.631 120.400 0.063 0.000 2.097 158 K HA -0.074 4.263 4.320 0.027 0.000 0.205 158 K C 2.030 178.729 176.600 0.165 0.000 1.050 158 K CA 1.026 57.412 56.287 0.165 0.000 0.938 158 K CB -0.261 32.386 32.500 0.244 0.000 0.718 158 K HN 0.180 nan 8.250 nan 0.000 0.442 159 A N 1.411 124.291 122.820 0.099 0.000 1.929 159 A HA -0.120 4.216 4.320 0.027 0.000 0.216 159 A C 2.169 179.776 177.584 0.038 0.000 1.176 159 A CA 1.081 53.166 52.037 0.080 0.000 0.628 159 A CB -0.282 18.753 19.000 0.058 0.000 0.816 159 A HN 0.224 nan 8.150 nan 0.000 0.444 160 R N -1.346 119.158 120.500 0.006 0.000 2.148 160 R HA 0.036 4.393 4.340 0.027 0.000 0.223 160 R C 1.977 178.247 176.300 -0.049 0.000 1.088 160 R CA 1.072 57.162 56.100 -0.017 0.000 0.985 160 R CB -0.289 29.998 30.300 -0.021 0.000 0.880 160 R HN 0.485 nan 8.270 nan 0.000 0.451 161 L N -0.263 120.899 121.223 -0.102 0.000 2.084 161 L HA -0.051 4.305 4.340 0.027 0.000 0.202 161 L C 1.794 178.518 176.870 -0.243 0.000 1.074 161 L CA 1.761 56.467 54.840 -0.223 0.000 0.757 161 L CB -0.175 41.655 42.059 -0.382 0.000 0.918 161 L HN 0.159 nan 8.230 nan 0.000 0.444 162 H N -0.007 119.063 119.070 0.000 0.000 2.551 162 H HA 0.226 4.799 4.556 0.027 0.000 0.266 162 H C 0.005 175.325 175.328 -0.015 0.000 0.964 162 H CA 0.045 56.088 56.048 -0.007 0.000 1.180 162 H CB 0.205 29.962 29.762 -0.008 0.000 1.408 162 H HN 0.124 nan 8.280 nan 0.000 0.563 163 R N 0.824 121.369 120.500 0.076 0.000 3.059 163 R HA -0.107 4.249 4.340 0.027 0.000 0.251 163 R C -2.635 173.684 176.300 0.032 0.000 0.886 163 R CA -0.027 56.096 56.100 0.039 0.000 0.634 163 R CB -2.098 28.212 30.300 0.017 0.000 1.282 163 R HN 0.431 nan 8.270 nan 0.000 0.487 164 P HA 0.136 nan 4.420 nan 0.000 0.277 164 P C 0.527 177.820 177.300 -0.011 0.000 1.240 164 P CA -0.417 62.675 63.100 -0.013 0.000 0.798 164 P CB 0.948 32.636 31.700 -0.020 0.000 0.979 165 K N 0.330 120.712 120.400 -0.030 0.000 2.243 165 K HA 0.046 4.382 4.320 0.027 0.000 0.201 165 K C 0.362 177.007 176.600 0.076 0.000 1.051 165 K CA 0.521 56.819 56.287 0.019 0.000 0.970 165 K CB 0.008 32.516 32.500 0.014 0.000 0.755 165 K HN 0.306 nan 8.250 nan 0.000 0.465 166 L N 0.776 122.001 121.223 0.004 0.000 2.422 166 L HA 0.475 4.831 4.340 0.027 0.000 0.264 166 L C -1.577 175.311 176.870 0.031 0.000 0.984 166 L CA -0.633 54.237 54.840 0.050 0.000 0.819 166 L CB 1.943 43.986 42.059 -0.026 0.000 1.330 166 L HN -0.083 nan 8.230 nan 0.000 0.410 167 I N 4.680 125.325 120.570 0.126 0.000 2.406 167 I HA 0.498 4.684 4.170 0.027 0.000 0.290 167 I C -0.863 175.349 176.117 0.159 0.000 0.999 167 I CA -0.938 60.462 61.300 0.167 0.000 1.124 167 I CB 2.002 40.146 38.000 0.240 0.000 1.289 167 I HN 0.256 nan 8.210 nan 0.000 0.441 168 V N 5.586 125.590 119.914 0.151 0.000 2.398 168 V HA 0.717 4.854 4.120 0.027 0.000 0.286 168 V C 0.278 176.345 176.094 -0.046 0.000 1.026 168 V CA -0.437 61.886 62.300 0.039 0.000 0.868 168 V CB 1.375 33.209 31.823 0.018 0.000 0.982 168 V HN 0.833 nan 8.190 nan 0.000 0.443 169 A N 3.996 126.672 122.820 -0.240 0.000 2.354 169 A HA 1.060 5.396 4.320 0.027 0.000 0.321 169 A C 0.058 177.527 177.584 -0.193 0.000 1.125 169 A CA -0.014 51.748 52.037 -0.459 0.000 0.799 169 A CB 1.554 19.935 19.000 -1.032 0.000 1.293 169 A HN 2.514 nan 8.150 nan 0.000 0.452 170 A N -1.183 121.588 122.820 -0.081 0.000 2.436 170 A HA 0.558 4.894 4.320 0.027 0.000 0.686 170 A C -0.241 177.427 177.584 0.141 0.000 0.140 170 A CA 0.025 52.110 52.037 0.080 0.000 0.026 170 A CB -1.542 17.526 19.000 0.113 0.000 3.974 170 A HN 2.961 nan 8.150 nan 0.000 0.548 171 A N -0.680 122.266 122.820 0.210 0.000 2.602 171 A HA 0.896 5.233 4.320 0.027 0.000 0.290 171 A C 0.633 178.309 177.584 0.153 0.000 1.114 171 A CA 0.616 52.778 52.037 0.208 0.000 0.683 171 A CB 0.751 19.843 19.000 0.153 0.000 1.281 171 A HN 1.992 nan 8.150 nan 0.000 0.416 172 S N -0.612 115.136 115.700 0.080 0.000 2.492 172 S HA 0.397 4.883 4.470 0.027 0.000 0.218 172 S C 0.815 175.231 174.600 -0.306 0.000 1.016 172 S CA 0.860 59.012 58.200 -0.080 0.000 0.916 172 S CB 0.531 63.800 63.200 0.116 0.000 0.791 172 S HN 1.677 nan 8.310 nan 0.000 0.513 173 A N 0.797 123.554 122.820 -0.104 0.000 3.234 173 A HA 0.514 4.851 4.320 0.027 0.000 0.247 173 A C -1.005 176.602 177.584 0.039 0.000 0.938 173 A CA -0.304 51.676 52.037 -0.095 0.000 1.039 173 A CB 0.060 19.019 19.000 -0.068 0.000 1.197 173 A HN 0.321 nan 8.150 nan 0.000 0.498 174 Y N 1.928 122.176 120.300 -0.087 0.000 2.338 174 Y HA 0.519 5.084 4.550 0.027 0.000 0.328 174 Y C -2.187 173.705 175.900 -0.015 0.000 0.965 174 Y CA -2.280 55.812 58.100 -0.013 0.000 1.208 174 Y CB 2.170 40.662 38.460 0.054 0.000 1.132 174 Y HN 0.289 nan 8.280 nan 0.000 0.469 175 P HA 0.053 nan 4.420 nan 0.000 0.245 175 P C -0.083 177.016 177.300 -0.334 0.000 1.212 175 P CA 0.693 63.613 63.100 -0.301 0.000 0.774 175 P CB 0.496 32.062 31.700 -0.225 0.000 0.999 176 R N -0.090 120.001 120.500 -0.682 0.000 2.782 176 R HA 0.490 4.847 4.340 0.027 0.000 0.258 176 R C 0.466 176.747 176.300 -0.032 0.000 1.055 176 R CA -1.454 54.410 56.100 -0.392 0.000 1.065 176 R CB 0.428 30.474 30.300 -0.423 0.000 1.172 176 R HN 0.026 nan 8.270 nan 0.000 0.510 177 I N 2.029 122.652 120.570 0.089 0.000 2.496 177 I HA 0.103 4.289 4.170 0.027 0.000 0.285 177 I C 0.424 176.674 176.117 0.221 0.000 1.080 177 I CA 0.077 61.463 61.300 0.144 0.000 1.404 177 I CB 0.439 38.343 38.000 -0.160 0.000 1.403 177 I HN 0.237 nan 8.210 nan 0.000 0.539 178 I N 5.769 126.469 120.570 0.215 0.000 2.342 178 I HA 0.077 4.263 4.170 0.027 0.000 0.291 178 I C 0.294 176.130 176.117 -0.468 0.000 1.010 178 I CA -0.207 61.086 61.300 -0.011 0.000 1.308 178 I CB 0.646 38.567 38.000 -0.132 0.000 1.400 178 I HN 0.473 nan 8.210 nan 0.000 0.488 179 D N 6.665 127.004 120.400 -0.102 0.000 2.435 179 D HA 0.108 4.764 4.640 0.027 0.000 0.230 179 D C 0.721 176.951 176.300 -0.115 0.000 1.215 179 D CA 0.098 53.937 54.000 -0.268 0.000 0.947 179 D CB 0.329 40.844 40.800 -0.475 0.000 1.048 179 D HN 0.353 nan 8.370 nan 0.000 0.512 180 F N 1.726 121.684 119.950 0.014 0.000 2.325 180 F HA -0.034 4.510 4.527 0.027 0.000 0.299 180 F C 2.484 178.128 175.800 -0.261 0.000 1.090 180 F CA 0.365 58.355 58.000 -0.016 0.000 1.392 180 F CB -0.041 38.920 39.000 -0.064 0.000 1.053 180 F HN 0.426 nan 8.300 nan 0.000 0.521 181 A N 0.559 123.088 122.820 -0.485 0.000 1.933 181 A HA -0.185 4.151 4.320 0.027 0.000 0.218 181 A C 2.197 179.706 177.584 -0.125 0.000 1.175 181 A CA 1.504 53.273 52.037 -0.446 0.000 0.628 181 A CB -0.479 18.272 19.000 -0.415 0.000 0.814 181 A HN 0.300 nan 8.150 nan 0.000 0.444 182 K N -1.683 118.609 120.400 -0.180 0.000 2.103 182 K HA -0.000 4.336 4.320 0.027 0.000 0.204 182 K C 1.601 178.145 176.600 -0.095 0.000 1.052 182 K CA 1.122 57.281 56.287 -0.213 0.000 0.945 182 K CB -0.260 31.919 32.500 -0.535 0.000 0.722 182 K HN 0.461 nan 8.250 nan 0.000 0.443 183 F N 1.227 121.194 119.950 0.028 0.000 2.134 183 F HA -0.160 4.384 4.527 0.028 0.000 0.299 183 F C 2.573 178.426 175.800 0.089 0.000 1.097 183 F CA 1.225 59.276 58.000 0.085 0.000 1.264 183 F CB -0.097 38.993 39.000 0.151 0.000 1.001 183 F HN -0.082 nan 8.300 nan 0.000 0.479 184 R N 0.838 121.506 120.500 0.281 0.000 2.090 184 R HA -0.137 4.220 4.340 0.027 0.000 0.228 184 R C 2.021 178.407 176.300 0.143 0.000 1.110 184 R CA 1.669 57.899 56.100 0.216 0.000 0.973 184 R CB -0.708 29.738 30.300 0.243 0.000 0.869 184 R HN 0.382 nan 8.270 nan 0.000 0.440 185 E N -0.233 120.024 120.200 0.095 0.000 2.077 185 E HA -0.170 4.196 4.350 0.027 0.000 0.193 185 E C 1.792 178.411 176.600 0.033 0.000 0.989 185 E CA 1.586 58.015 56.400 0.047 0.000 0.800 185 E CB -0.101 29.601 29.700 0.003 0.000 0.746 185 E HN 0.430 nan 8.360 nan 0.000 0.452 186 I N 0.603 121.186 120.570 0.023 0.000 2.286 186 I HA -0.200 3.986 4.170 0.027 0.000 0.245 186 I C 2.506 178.654 176.117 0.051 0.000 1.104 186 I CA 0.907 62.213 61.300 0.011 0.000 1.397 186 I CB -0.231 37.744 38.000 -0.041 0.000 1.072 186 I HN 0.150 nan 8.210 nan 0.000 0.417 187 A N 0.323 123.204 122.820 0.103 0.000 1.972 187 A HA -0.220 4.117 4.320 0.027 0.000 0.219 187 A C 1.911 179.546 177.584 0.086 0.000 1.169 187 A CA 1.884 53.993 52.037 0.120 0.000 0.635 187 A CB -0.506 18.612 19.000 0.197 0.000 0.810 187 A HN 0.327 nan 8.150 nan 0.000 0.446 188 D N -0.695 119.757 120.400 0.086 0.000 2.178 188 D HA -0.123 4.533 4.640 0.027 0.000 0.202 188 D C 1.860 178.179 176.300 0.030 0.000 0.974 188 D CA 1.304 55.341 54.000 0.061 0.000 0.841 188 D CB -0.230 40.609 40.800 0.065 0.000 0.953 188 D HN 0.734 nan 8.370 nan 0.000 0.478 189 E N 0.409 120.625 120.200 0.026 0.000 2.072 189 E HA -0.120 4.246 4.350 0.027 0.000 0.190 189 E C 1.875 178.479 176.600 0.006 0.000 0.982 189 E CA 0.945 57.352 56.400 0.012 0.000 0.803 189 E CB 0.339 30.043 29.700 0.007 0.000 0.755 189 E HN 0.195 nan 8.360 nan 0.000 0.453 190 V N -2.989 116.932 119.914 0.011 0.000 3.649 190 V HA 0.376 4.512 4.120 0.027 0.000 0.275 190 V C 1.058 177.147 176.094 -0.008 0.000 1.281 190 V CA 0.457 62.760 62.300 0.005 0.000 1.143 190 V CB -0.062 31.771 31.823 0.016 0.000 0.892 190 V HN 0.281 nan 8.190 nan 0.000 0.441 191 G N 0.248 109.038 108.800 -0.017 0.000 2.298 191 G HA2 0.088 4.065 3.960 0.027 0.000 0.287 191 G HA3 0.088 4.065 3.960 0.027 0.000 0.287 191 G C 0.081 174.915 174.900 -0.109 0.000 1.075 191 G CA 0.392 45.456 45.100 -0.060 0.000 0.960 191 G HN 1.671 nan 8.290 nan 0.000 0.502 192 A N -0.473 122.302 122.820 -0.075 0.000 2.356 192 A HA 0.867 5.203 4.320 0.027 0.000 0.323 192 A C -0.157 177.375 177.584 -0.087 0.000 1.119 192 A CA -0.918 51.075 52.037 -0.074 0.000 0.790 192 A CB 1.051 20.072 19.000 0.034 0.000 1.273 192 A HN 0.617 nan 8.150 nan 0.000 0.452 193 Y N 0.006 120.309 120.300 0.006 0.000 2.397 193 Y HA 0.380 4.947 4.550 0.028 0.000 0.335 193 Y C 0.281 176.327 175.900 0.244 0.000 1.213 193 Y CA 0.225 58.335 58.100 0.017 0.000 1.391 193 Y CB 0.748 39.196 38.460 -0.020 0.000 1.293 193 Y HN 0.533 nan 8.280 nan 0.000 0.557 194 L N 5.174 126.795 121.223 0.663 0.000 2.298 194 L HA 0.492 4.849 4.340 0.027 0.000 0.284 194 L C -0.786 176.280 176.870 0.327 0.000 1.013 194 L CA -0.733 54.344 54.840 0.395 0.000 0.824 194 L CB 0.938 43.177 42.059 0.301 0.000 1.221 194 L HN 0.734 nan 8.230 nan 0.000 0.418 195 M N 5.859 125.587 119.600 0.214 0.000 2.294 195 M HA 0.616 5.112 4.480 0.027 0.000 0.335 195 M C -1.712 174.596 176.300 0.014 0.000 1.079 195 M CA -0.621 54.761 55.300 0.137 0.000 0.982 195 M CB 1.557 34.212 32.600 0.090 0.000 1.651 195 M HN 0.406 nan 8.290 nan 0.000 0.437 196 V N 4.277 124.167 119.914 -0.040 0.000 2.409 196 V HA 0.257 4.393 4.120 0.027 0.000 0.291 196 V C -0.624 175.414 176.094 -0.094 0.000 1.020 196 V CA -0.614 61.618 62.300 -0.114 0.000 0.848 196 V CB 1.528 33.182 31.823 -0.282 0.000 0.990 196 V HN 0.777 nan 8.190 nan 0.000 0.430 197 D N 5.599 125.970 120.400 -0.049 0.000 2.522 197 D HA 0.194 4.851 4.640 0.027 0.000 0.218 197 D C 1.054 177.361 176.300 0.011 0.000 1.149 197 D CA -0.450 53.555 54.000 0.008 0.000 0.981 197 D CB 0.816 41.715 40.800 0.165 0.000 1.041 197 D HN 0.626 nan 8.370 nan 0.000 0.518 198 M N 0.601 120.161 119.600 -0.066 0.000 2.696 198 M HA 0.251 4.747 4.480 0.027 0.000 0.220 198 M C 1.451 177.717 176.300 -0.057 0.000 1.133 198 M CA -0.116 55.148 55.300 -0.060 0.000 1.016 198 M CB 0.332 32.843 32.600 -0.148 0.000 1.740 198 M HN 0.099 nan 8.290 nan 0.000 0.502 199 A N 1.119 123.904 122.820 -0.059 0.000 1.915 199 A HA -0.238 4.098 4.320 0.027 0.000 0.220 199 A C 2.066 179.552 177.584 -0.164 0.000 1.198 199 A CA 2.081 54.036 52.037 -0.136 0.000 0.647 199 A CB -1.258 17.638 19.000 -0.173 0.000 0.825 199 A HN 0.762 nan 8.150 nan 0.000 0.456 200 H N -0.683 118.347 119.070 -0.067 0.000 2.436 200 H HA 0.031 4.604 4.556 0.030 0.000 0.294 200 H C 1.867 177.053 175.328 -0.236 0.000 1.048 200 H CA 1.656 57.668 56.048 -0.059 0.000 1.353 200 H CB 0.043 29.907 29.762 0.170 0.000 1.414 200 H HN 0.724 nan 8.280 nan 0.000 0.536 201 I N -2.487 118.074 120.570 -0.016 0.000 3.956 201 I HA 0.334 4.520 4.170 0.027 0.000 0.333 201 I C 2.283 178.393 176.117 -0.012 0.000 1.302 201 I CA 0.200 61.454 61.300 -0.078 0.000 1.122 201 I CB 0.138 38.037 38.000 -0.168 0.000 1.013 201 I HN -0.106 nan 8.210 nan 0.000 0.405 202 A N 2.297 125.116 122.820 -0.001 0.000 1.917 202 A HA -0.122 4.214 4.320 0.027 0.000 0.219 202 A C 2.365 180.136 177.584 0.313 0.000 1.182 202 A CA 2.203 54.305 52.037 0.108 0.000 0.633 202 A CB -1.494 17.529 19.000 0.039 0.000 0.819 202 A HN 0.539 nan 8.150 nan 0.000 0.448 203 G N -0.523 108.430 108.800 0.254 0.000 2.422 203 G HA2 -0.048 3.928 3.960 0.027 0.000 0.218 203 G HA3 -0.048 3.928 3.960 0.027 0.000 0.218 203 G C 1.488 176.569 174.900 0.302 0.000 1.140 203 G CA 0.936 46.280 45.100 0.407 0.000 0.775 203 G HN 0.467 nan 8.290 nan 0.000 0.545 204 L N 0.302 121.625 121.223 0.167 0.000 2.179 204 L HA 0.014 4.370 4.340 0.027 0.000 0.208 204 L C 2.819 179.826 176.870 0.228 0.000 1.096 204 L CA 0.104 55.033 54.840 0.149 0.000 0.779 204 L CB -0.472 41.666 42.059 0.131 0.000 0.922 204 L HN 0.037 nan 8.230 nan 0.000 0.443 205 V N 0.559 120.641 119.914 0.280 0.000 2.358 205 V HA -0.233 3.903 4.120 0.027 0.000 0.246 205 V C 2.818 179.089 176.094 0.295 0.000 1.047 205 V CA 1.801 64.303 62.300 0.337 0.000 1.035 205 V CB -0.780 31.265 31.823 0.370 0.000 0.658 205 V HN 0.463 nan 8.190 nan 0.000 0.452 206 A N -0.175 122.813 122.820 0.280 0.000 2.019 206 A HA 0.006 4.342 4.320 0.027 0.000 0.219 206 A C 2.197 179.841 177.584 0.100 0.000 1.164 206 A CA 1.797 53.842 52.037 0.013 0.000 0.644 206 A CB -0.463 18.487 19.000 -0.083 0.000 0.805 206 A HN 0.583 nan 8.150 nan 0.000 0.449 207 A N -1.891 121.040 122.820 0.184 0.000 2.275 207 A HA 0.437 4.773 4.320 0.027 0.000 0.212 207 A C 1.651 179.299 177.584 0.107 0.000 1.201 207 A CA 1.063 53.187 52.037 0.146 0.000 0.843 207 A CB -0.765 18.299 19.000 0.107 0.000 0.873 207 A HN 1.850 nan 8.150 nan 0.000 0.492 208 G N -0.741 108.136 108.800 0.127 0.000 2.182 208 G HA2 -0.224 3.752 3.960 0.027 0.000 0.248 208 G HA3 -0.224 3.752 3.960 0.027 0.000 0.248 208 G C 0.479 175.447 174.900 0.114 0.000 1.042 208 G CA 0.505 45.677 45.100 0.120 0.000 0.775 208 G HN 0.525 nan 8.290 nan 0.000 0.501 209 L N -0.673 120.632 121.223 0.136 0.000 2.664 209 L HA 0.367 4.723 4.340 0.027 0.000 0.233 209 L C 0.915 177.891 176.870 0.175 0.000 1.113 209 L CA -0.203 54.708 54.840 0.118 0.000 0.896 209 L CB 0.318 42.429 42.059 0.087 0.000 1.163 209 L HN 0.397 nan 8.230 nan 0.000 0.497 210 H N 0.776 119.927 119.070 0.135 0.000 2.679 210 H HA 0.345 4.918 4.556 0.028 0.000 0.360 210 H C -2.606 172.855 175.328 0.221 0.000 1.105 210 H CA -1.854 54.298 56.048 0.174 0.000 1.196 210 H CB 2.710 32.596 29.762 0.208 0.000 1.636 210 H HN -0.247 nan 8.280 nan 0.000 0.531 211 P HA -0.115 nan 4.420 nan 0.000 0.263 211 P C -0.117 177.505 177.300 0.537 0.000 1.168 211 P CA 0.377 63.655 63.100 0.297 0.000 0.759 211 P CB 0.427 32.237 31.700 0.183 0.000 0.782 212 N N 4.662 123.592 118.700 0.382 0.000 2.442 212 N HA 0.065 4.821 4.740 0.027 0.000 0.265 212 N C -1.370 174.268 175.510 0.212 0.000 1.138 212 N CA -2.009 51.208 53.050 0.279 0.000 0.956 212 N CB 0.453 39.069 38.487 0.216 0.000 1.067 212 N HN 0.246 nan 8.380 nan 0.000 0.474 213 P HA -0.065 nan 4.420 nan 0.000 0.225 213 P C 1.376 178.601 177.300 -0.125 0.000 1.156 213 P CA 0.395 63.200 63.100 -0.492 0.000 0.787 213 P CB 0.529 31.558 31.700 -1.119 0.000 0.802 214 V N 1.942 121.806 119.914 -0.083 0.000 2.282 214 V HA -0.174 3.962 4.120 0.027 0.000 0.249 214 V C -0.240 175.805 176.094 -0.081 0.000 1.057 214 V CA 2.680 64.938 62.300 -0.070 0.000 1.032 214 V CB -2.532 29.275 31.823 -0.027 0.000 0.645 214 V HN 0.204 nan 8.190 nan 0.000 0.447 215 P HA -0.099 nan 4.420 nan 0.000 0.225 215 P C 0.855 177.917 177.300 -0.397 0.000 1.148 215 P CA 1.409 64.333 63.100 -0.292 0.000 0.779 215 P CB -0.064 31.368 31.700 -0.446 0.000 0.780 216 Y N -1.296 118.977 120.300 -0.046 0.000 2.535 216 Y HA 0.424 4.990 4.550 0.027 0.000 0.266 216 Y C 1.370 177.203 175.900 -0.113 0.000 1.088 216 Y CA -0.265 57.815 58.100 -0.034 0.000 1.285 216 Y CB -0.297 38.210 38.460 0.079 0.000 1.166 216 Y HN -0.208 nan 8.280 nan 0.000 0.525 217 A N -0.523 122.292 122.820 -0.009 0.000 2.312 217 A HA 0.386 4.723 4.320 0.027 0.000 0.328 217 A C -0.138 177.340 177.584 -0.177 0.000 1.158 217 A CA -0.420 51.572 52.037 -0.075 0.000 0.821 217 A CB 0.327 19.295 19.000 -0.052 0.000 1.170 217 A HN 0.460 nan 8.150 nan 0.000 0.490 218 H N 0.546 119.600 119.070 -0.026 0.000 2.395 218 H HA 0.166 4.738 4.556 0.027 0.000 0.299 218 H C -0.711 174.179 175.328 -0.730 0.000 1.070 218 H CA 1.768 57.644 56.048 -0.287 0.000 1.356 218 H CB 0.024 29.590 29.762 -0.327 0.000 1.401 218 H HN 0.556 nan 8.280 nan 0.000 0.524 219 F N -0.364 119.591 119.950 0.008 0.000 2.556 219 F HA 0.480 5.023 4.527 0.026 0.000 0.314 219 F C -0.876 174.871 175.800 -0.088 0.000 1.106 219 F CA -1.186 56.773 58.000 -0.069 0.000 0.911 219 F CB 2.043 40.957 39.000 -0.143 0.000 1.190 219 F HN -0.348 nan 8.300 nan 0.000 0.448 220 V N 1.852 121.797 119.914 0.052 0.000 2.409 220 V HA 0.488 4.625 4.120 0.027 0.000 0.290 220 V C -0.323 175.721 176.094 -0.083 0.000 1.017 220 V CA -0.765 61.491 62.300 -0.073 0.000 0.841 220 V CB 1.812 33.528 31.823 -0.177 0.000 1.003 220 V HN 0.880 nan 8.190 nan 0.000 0.426 221 T N 0.908 115.411 114.554 -0.084 0.000 2.943 221 T HA 0.825 5.191 4.350 0.027 0.000 0.284 221 T C -0.209 174.418 174.700 -0.122 0.000 1.015 221 T CA -0.640 61.406 62.100 -0.089 0.000 1.042 221 T CB 2.178 71.003 68.868 -0.071 0.000 1.055 221 T HN 0.694 nan 8.240 nan 0.000 0.500 222 T N 0.403 114.886 114.554 -0.118 0.000 2.786 222 T HA 0.598 4.964 4.350 0.027 0.000 0.316 222 T C -0.836 173.795 174.700 -0.115 0.000 1.503 222 T CA -0.452 61.566 62.100 -0.137 0.000 1.019 222 T CB 1.438 70.187 68.868 -0.198 0.000 1.415 222 T HN 1.176 nan 8.240 nan 0.000 0.496 223 T N -0.233 114.215 114.554 -0.178 0.000 2.928 223 T HA 0.501 4.868 4.350 0.027 0.000 0.284 223 T C 1.335 175.912 174.700 -0.204 0.000 1.008 223 T CA 0.117 62.071 62.100 -0.244 0.000 1.057 223 T CB 1.186 69.701 68.868 -0.589 0.000 1.018 223 T HN 0.755 nan 8.240 nan 0.000 0.493 224 T N -1.980 112.511 114.554 -0.106 0.000 3.060 224 T HA 0.027 4.393 4.350 0.027 0.000 0.249 224 T C 1.344 176.031 174.700 -0.023 0.000 1.079 224 T CA 0.291 62.397 62.100 0.010 0.000 1.013 224 T CB -0.497 68.407 68.868 0.060 0.000 0.975 224 T HN 0.923 nan 8.240 nan 0.000 0.518 225 H N -0.020 119.032 119.070 -0.029 0.000 2.622 225 H HA 0.441 5.013 4.556 0.028 0.000 0.269 225 H C 0.990 176.285 175.328 -0.056 0.000 0.977 225 H CA -0.401 55.619 56.048 -0.046 0.000 1.179 225 H CB 0.294 30.018 29.762 -0.062 0.000 1.458 225 H HN 0.267 nan 8.280 nan 0.000 0.531 226 K N 1.280 121.532 120.400 -0.247 0.000 3.383 226 K HA 0.029 4.365 4.320 0.027 0.000 0.164 226 K C 2.025 178.595 176.600 -0.050 0.000 1.145 226 K CA 0.936 57.112 56.287 -0.185 0.000 1.507 226 K CB -0.188 32.080 32.500 -0.386 0.000 2.086 226 K HN 0.181 nan 8.250 nan 0.000 0.502 227 T N 0.213 114.718 114.554 -0.082 0.000 3.007 227 T HA -0.066 4.300 4.350 0.027 0.000 0.270 227 T C 1.712 176.576 174.700 0.274 0.000 1.107 227 T CA 0.610 62.730 62.100 0.033 0.000 1.118 227 T CB -0.043 68.741 68.868 -0.139 0.000 0.889 227 T HN 0.085 nan 8.240 nan 0.000 0.506 228 L N 1.103 122.460 121.223 0.224 0.000 2.376 228 L HA 0.363 4.720 4.340 0.027 0.000 0.219 228 L C 1.499 178.525 176.870 0.260 0.000 1.133 228 L CA 0.813 55.840 54.840 0.313 0.000 0.816 228 L CB -1.078 41.112 42.059 0.218 0.000 0.933 228 L HN 0.382 nan 8.230 nan 0.000 0.449 229 R N -0.950 119.679 120.500 0.216 0.000 3.422 229 R HA -0.157 4.199 4.340 0.027 0.000 0.267 229 R C 0.365 176.695 176.300 0.049 0.000 1.074 229 R CA 0.432 56.626 56.100 0.157 0.000 0.718 229 R CB -1.659 28.791 30.300 0.249 0.000 1.157 229 R HN 0.569 nan 8.270 nan 0.000 0.440 230 G N -0.019 108.793 108.800 0.020 0.000 3.075 230 G HA2 0.713 4.690 3.960 0.027 0.000 0.253 230 G HA3 0.713 4.690 3.960 0.027 0.000 0.253 230 G C -2.716 172.176 174.900 -0.012 0.000 1.353 230 G CA -0.920 44.150 45.100 -0.051 0.000 1.051 230 G HN 0.110 nan 8.290 nan 0.000 0.553 231 P HA 0.215 nan 4.420 nan 0.000 0.274 231 P C -0.650 176.669 177.300 0.032 0.000 1.256 231 P CA -0.534 62.546 63.100 -0.033 0.000 0.795 231 P CB 1.067 32.715 31.700 -0.086 0.000 1.038 232 R N 0.387 120.872 120.500 -0.024 0.000 2.343 232 R HA 0.501 4.857 4.340 0.027 0.000 0.326 232 R C 0.343 176.655 176.300 0.019 0.000 1.055 232 R CA 0.589 56.640 56.100 -0.083 0.000 0.961 232 R CB -0.743 29.401 30.300 -0.260 0.000 0.978 232 R HN 0.838 nan 8.270 nan 0.000 0.443 233 G N 1.294 110.210 108.800 0.192 0.000 2.342 233 G HA2 0.420 4.397 3.960 0.027 0.000 0.297 233 G HA3 0.420 4.397 3.960 0.027 0.000 0.297 233 G C -1.320 173.657 174.900 0.129 0.000 1.313 233 G CA -0.398 44.772 45.100 0.117 0.000 0.830 233 G HN 0.728 nan 8.290 nan 0.000 0.506 234 G N -1.286 107.555 108.800 0.069 0.000 2.600 234 G HA2 0.781 4.758 3.960 0.027 0.000 0.303 234 G HA3 0.781 4.758 3.960 0.027 0.000 0.303 234 G C -0.890 174.031 174.900 0.036 0.000 1.253 234 G CA -0.567 44.556 45.100 0.037 0.000 0.974 234 G HN 1.001 nan 8.290 nan 0.000 0.483 235 M N 0.314 119.922 119.600 0.013 0.000 2.413 235 M HA 0.593 5.089 4.480 0.027 0.000 0.287 235 M C -1.992 174.287 176.300 -0.034 0.000 1.186 235 M CA -0.674 54.633 55.300 0.011 0.000 0.927 235 M CB 2.246 34.874 32.600 0.047 0.000 1.715 235 M HN 0.387 nan 8.290 nan 0.000 0.478 236 I N 5.099 125.657 120.570 -0.020 0.000 2.406 236 I HA 0.443 4.629 4.170 0.027 0.000 0.290 236 I C -1.172 174.930 176.117 -0.024 0.000 0.999 236 I CA -0.623 60.671 61.300 -0.010 0.000 1.124 236 I CB 1.736 39.765 38.000 0.048 0.000 1.289 236 I HN 0.581 nan 8.210 nan 0.000 0.441 237 L N 6.479 127.674 121.223 -0.047 0.000 2.317 237 L HA 0.772 5.128 4.340 0.027 0.000 0.281 237 L C -0.326 176.565 176.870 0.034 0.000 1.024 237 L CA -0.580 54.232 54.840 -0.047 0.000 0.810 237 L CB 1.703 43.678 42.059 -0.139 0.000 1.240 237 L HN 0.810 nan 8.230 nan 0.000 0.427 238 C N 0.132 119.482 119.300 0.083 0.000 3.320 238 C HA 0.491 4.967 4.460 0.027 0.000 0.335 238 C C -0.580 174.474 174.990 0.106 0.000 1.430 238 C CA -1.045 58.022 59.018 0.082 0.000 1.271 238 C CB 1.658 29.494 27.740 0.159 0.000 1.609 238 C HN 0.869 nan 8.230 nan 0.000 0.457 239 Q N 0.557 120.422 119.800 0.109 0.000 2.417 239 Q HA 0.213 4.570 4.340 0.027 0.000 0.241 239 Q C 0.776 176.779 176.000 0.005 0.000 1.008 239 Q CA 0.025 55.861 55.803 0.055 0.000 0.901 239 Q CB 1.005 29.762 28.738 0.031 0.000 1.259 239 Q HN 0.811 nan 8.270 nan 0.000 0.489 240 E N 1.329 121.497 120.200 -0.054 0.000 2.209 240 E HA -0.257 4.110 4.350 0.027 0.000 0.196 240 E C 1.662 178.148 176.600 -0.190 0.000 0.993 240 E CA 1.870 58.210 56.400 -0.100 0.000 0.819 240 E CB 0.103 29.757 29.700 -0.077 0.000 0.745 240 E HN 0.641 nan 8.360 nan 0.000 0.477 241 Q N -1.387 118.229 119.800 -0.307 0.000 2.291 241 Q HA -0.104 4.252 4.340 0.027 0.000 0.205 241 Q C 0.982 176.678 176.000 -0.506 0.000 0.970 241 Q CA 1.213 56.739 55.803 -0.461 0.000 0.876 241 Q CB -0.231 28.122 28.738 -0.643 0.000 0.935 241 Q HN 0.299 nan 8.270 nan 0.000 0.455 242 F N 0.060 119.965 119.950 -0.073 0.000 2.704 242 F HA 0.493 5.036 4.527 0.027 0.000 0.304 242 F C 2.110 177.877 175.800 -0.054 0.000 1.094 242 F CA -0.224 57.763 58.000 -0.022 0.000 1.275 242 F CB -0.079 38.899 39.000 -0.037 0.000 1.073 242 F HN 0.128 nan 8.300 nan 0.000 0.586 243 A N 0.751 123.515 122.820 -0.092 0.000 1.892 243 A HA -0.288 4.048 4.320 0.027 0.000 0.218 243 A C 2.335 179.703 177.584 -0.359 0.000 1.188 243 A CA 2.211 53.941 52.037 -0.511 0.000 0.631 243 A CB -0.657 17.844 19.000 -0.832 0.000 0.822 243 A HN 0.335 nan 8.150 nan 0.000 0.447 244 K N -0.934 119.351 120.400 -0.193 0.000 2.097 244 K HA -0.148 4.189 4.320 0.027 0.000 0.205 244 K C 2.332 178.929 176.600 -0.004 0.000 1.050 244 K CA 1.509 57.734 56.287 -0.103 0.000 0.938 244 K CB -0.159 32.304 32.500 -0.063 0.000 0.718 244 K HN 0.651 nan 8.250 nan 0.000 0.442 245 Q N 0.077 119.912 119.800 0.058 0.000 2.079 245 Q HA -0.101 4.256 4.340 0.027 0.000 0.200 245 Q C 2.002 178.085 176.000 0.139 0.000 0.974 245 Q CA 0.942 56.813 55.803 0.115 0.000 0.840 245 Q CB 0.100 28.938 28.738 0.166 0.000 0.898 245 Q HN 0.285 nan 8.270 nan 0.000 0.430 246 I N 1.237 121.905 120.570 0.164 0.000 2.252 246 I HA -0.229 3.957 4.170 0.027 0.000 0.245 246 I C 1.506 177.725 176.117 0.169 0.000 1.102 246 I CA 1.354 62.763 61.300 0.181 0.000 1.385 246 I CB -0.880 37.276 38.000 0.261 0.000 1.064 246 I HN 0.195 nan 8.210 nan 0.000 0.414 247 D N 0.975 121.435 120.400 0.100 0.000 2.117 247 D HA -0.163 4.493 4.640 0.027 0.000 0.197 247 D C 2.188 178.644 176.300 0.260 0.000 0.987 247 D CA 1.150 55.177 54.000 0.045 0.000 0.829 247 D CB -0.089 40.477 40.800 -0.390 0.000 0.961 247 D HN 0.295 nan 8.370 nan 0.000 0.460 248 K N 0.276 120.786 120.400 0.184 0.000 2.211 248 K HA 0.038 4.374 4.320 0.027 0.000 0.203 248 K C 1.964 178.680 176.600 0.193 0.000 1.050 248 K CA 0.793 57.197 56.287 0.195 0.000 0.945 248 K CB 0.094 32.678 32.500 0.139 0.000 0.732 248 K HN 0.020 nan 8.250 nan 0.000 0.451 249 A N 1.294 124.243 122.820 0.214 0.000 1.929 249 A HA -0.093 4.243 4.320 0.027 0.000 0.216 249 A C 1.986 179.621 177.584 0.084 0.000 1.176 249 A CA 0.917 53.096 52.037 0.237 0.000 0.628 249 A CB -0.214 18.945 19.000 0.265 0.000 0.816 249 A HN 0.056 nan 8.150 nan 0.000 0.444 250 I N -2.394 118.266 120.570 0.151 0.000 2.193 250 I HA 0.046 4.232 4.170 0.027 0.000 0.240 250 I C 0.562 176.785 176.117 0.177 0.000 1.084 250 I CA 1.286 62.664 61.300 0.130 0.000 1.365 250 I CB -0.614 37.509 38.000 0.205 0.000 1.064 250 I HN 0.329 nan 8.210 nan 0.000 0.410 251 F N 2.513 122.530 119.950 0.112 0.000 2.561 251 F HA 0.428 4.973 4.527 0.030 0.000 0.313 251 F C -2.243 173.637 175.800 0.134 0.000 1.126 251 F CA -2.070 55.965 58.000 0.059 0.000 0.918 251 F CB 2.120 41.108 39.000 -0.021 0.000 1.199 251 F HN -0.220 nan 8.300 nan 0.000 0.444 252 P HA 0.209 nan 4.420 nan 0.000 0.253 252 P C 0.820 177.866 177.300 -0.423 0.000 1.459 252 P CA 0.344 62.794 63.100 -1.082 0.000 0.908 252 P CB 0.364 31.422 31.700 -1.070 0.000 1.470 253 G N 2.218 110.890 108.800 -0.213 0.000 2.556 253 G HA2 -0.173 3.803 3.960 0.027 0.000 0.215 253 G HA3 -0.173 3.803 3.960 0.027 0.000 0.215 253 G C 1.201 175.804 174.900 -0.494 0.000 1.258 253 G CA 1.025 45.958 45.100 -0.278 0.000 0.811 253 G HN 0.414 nan 8.290 nan 0.000 0.557 254 I N -3.243 117.085 120.570 -0.403 0.000 4.139 254 I HA 0.421 4.607 4.170 0.027 0.000 0.320 254 I C 0.937 176.970 176.117 -0.141 0.000 1.290 254 I CA -0.125 60.963 61.300 -0.354 0.000 1.253 254 I CB 0.436 38.204 38.000 -0.387 0.000 1.122 254 I HN 0.086 nan 8.210 nan 0.000 0.421 255 Q N 0.977 120.751 119.800 -0.043 0.000 2.712 255 Q HA 0.676 5.033 4.340 0.027 0.000 0.267 255 Q C 0.032 176.167 176.000 0.225 0.000 1.062 255 Q CA -0.368 55.479 55.803 0.075 0.000 0.888 255 Q CB 2.045 30.777 28.738 -0.011 0.000 1.374 255 Q HN 0.306 nan 8.270 nan 0.000 0.498 256 G N -0.687 108.275 108.800 0.270 0.000 3.364 256 G HA2 0.450 4.426 3.960 0.027 0.000 0.191 256 G HA3 0.450 4.426 3.960 0.027 0.000 0.191 256 G C -0.440 174.523 174.900 0.105 0.000 1.352 256 G CA -0.138 45.170 45.100 0.347 0.000 0.758 256 G HN 0.583 nan 8.290 nan 0.000 0.730 257 G N 2.077 110.945 108.800 0.113 0.000 2.365 257 G HA2 0.496 4.472 3.960 0.027 0.000 0.249 257 G HA3 0.496 4.472 3.960 0.027 0.000 0.249 257 G C -1.968 172.890 174.900 -0.070 0.000 1.288 257 G CA -0.328 44.724 45.100 -0.080 0.000 0.887 257 G HN 0.380 nan 8.290 nan 0.000 0.524 258 P HA 0.195 nan 4.420 nan 0.000 0.274 258 P C -0.254 177.041 177.300 -0.009 0.000 1.256 258 P CA -0.532 62.539 63.100 -0.049 0.000 0.795 258 P CB 1.247 32.858 31.700 -0.148 0.000 1.038 259 L N 1.830 123.071 121.223 0.029 0.000 2.328 259 L HA 0.173 4.530 4.340 0.027 0.000 0.280 259 L C 1.795 178.589 176.870 -0.126 0.000 1.111 259 L CA -0.504 54.297 54.840 -0.064 0.000 0.909 259 L CB 0.038 41.988 42.059 -0.181 0.000 1.277 259 L HN 0.197 nan 8.230 nan 0.000 0.433 260 M N 1.382 120.986 119.600 0.008 0.000 2.213 260 M HA -0.141 4.355 4.480 0.027 0.000 0.263 260 M C 2.351 178.668 176.300 0.028 0.000 1.062 260 M CA 1.481 56.789 55.300 0.014 0.000 1.105 260 M CB -1.039 31.582 32.600 0.034 0.000 1.385 260 M HN 0.648 nan 8.290 nan 0.000 0.417 261 H N -1.039 118.005 119.070 -0.043 0.000 2.428 261 H HA 0.073 4.634 4.556 0.009 0.000 0.296 261 H C 2.027 177.329 175.328 -0.043 0.000 1.062 261 H CA 1.256 57.279 56.048 -0.041 0.000 1.350 261 H CB -1.198 28.538 29.762 -0.044 0.000 1.403 261 H HN 0.240 nan 8.280 nan 0.000 0.533 262 V N 1.544 121.142 119.914 -0.527 0.000 2.407 262 V HA -0.140 3.996 4.120 0.027 0.000 0.245 262 V C 2.940 178.919 176.094 -0.190 0.000 1.041 262 V CA 1.215 63.312 62.300 -0.340 0.000 1.040 262 V CB -0.486 31.118 31.823 -0.366 0.000 0.671 262 V HN 0.225 nan 8.190 nan 0.000 0.455 263 I N 0.836 121.316 120.570 -0.150 0.000 2.264 263 I HA -0.255 3.931 4.170 0.027 0.000 0.248 263 I C 2.685 178.752 176.117 -0.083 0.000 1.111 263 I CA 1.476 62.725 61.300 -0.085 0.000 1.382 263 I CB -0.560 37.415 38.000 -0.040 0.000 1.060 263 I HN 0.291 nan 8.210 nan 0.000 0.418 264 A N 0.771 123.552 122.820 -0.066 0.000 1.908 264 A HA -0.197 4.139 4.320 0.027 0.000 0.218 264 A C 2.527 180.054 177.584 -0.095 0.000 1.181 264 A CA 1.997 54.003 52.037 -0.050 0.000 0.627 264 A CB -0.829 18.163 19.000 -0.013 0.000 0.818 264 A HN 0.440 nan 8.150 nan 0.000 0.445 265 A N -0.538 122.212 122.820 -0.117 0.000 1.969 265 A HA -0.088 4.249 4.320 0.027 0.000 0.218 265 A C 2.069 179.496 177.584 -0.262 0.000 1.169 265 A CA 1.637 53.586 52.037 -0.146 0.000 0.635 265 A CB -0.347 18.584 19.000 -0.115 0.000 0.810 265 A HN 0.556 nan 8.150 nan 0.000 0.445 266 K N -0.130 120.069 120.400 -0.336 0.000 2.026 266 K HA -0.077 4.260 4.320 0.027 0.000 0.208 266 K C 2.342 178.354 176.600 -0.981 0.000 1.048 266 K CA 1.161 57.027 56.287 -0.701 0.000 0.929 266 K CB -0.350 31.849 32.500 -0.501 0.000 0.713 266 K HN 0.423 nan 8.250 nan 0.000 0.439 267 A N 1.096 123.672 122.820 -0.407 0.000 1.883 267 A HA -0.159 4.178 4.320 0.027 0.000 0.217 267 A C 2.386 179.877 177.584 -0.155 0.000 1.186 267 A CA 1.720 53.670 52.037 -0.144 0.000 0.624 267 A CB -0.812 18.177 19.000 -0.018 0.000 0.822 267 A HN 0.089 nan 8.150 nan 0.000 0.444 268 V N -0.200 119.609 119.914 -0.176 0.000 2.343 268 V HA -0.253 3.883 4.120 0.027 0.000 0.247 268 V C 3.024 179.015 176.094 -0.172 0.000 1.051 268 V CA 1.974 64.195 62.300 -0.132 0.000 1.036 268 V CB -1.328 30.432 31.823 -0.105 0.000 0.654 268 V HN 0.631 nan 8.190 nan 0.000 0.451 269 A N -0.354 122.292 122.820 -0.290 0.000 1.898 269 A HA -0.142 4.194 4.320 0.027 0.000 0.216 269 A C 2.113 179.556 177.584 -0.234 0.000 1.181 269 A CA 1.697 53.556 52.037 -0.298 0.000 0.620 269 A CB -0.715 18.061 19.000 -0.373 0.000 0.819 269 A HN 0.530 nan 8.150 nan 0.000 0.442 270 F N 0.105 119.972 119.950 -0.138 0.000 2.186 270 F HA -0.065 4.486 4.527 0.040 0.000 0.299 270 F C 2.702 178.395 175.800 -0.178 0.000 1.090 270 F CA 0.321 58.222 58.000 -0.164 0.000 1.307 270 F CB -0.534 38.411 39.000 -0.091 0.000 1.019 270 F HN 0.348 nan 8.300 nan 0.000 0.489 271 G N 0.265 109.084 108.800 0.033 0.000 2.446 271 G HA2 -0.241 3.735 3.960 0.027 0.000 0.217 271 G HA3 -0.241 3.735 3.960 0.027 0.000 0.217 271 G C 1.385 176.249 174.900 -0.060 0.000 1.168 271 G CA 0.871 45.962 45.100 -0.014 0.000 0.771 271 G HN 0.342 nan 8.290 nan 0.000 0.551 272 E N 0.437 120.576 120.200 -0.102 0.000 2.153 272 E HA 0.022 4.388 4.350 0.027 0.000 0.194 272 E C 2.818 179.285 176.600 -0.223 0.000 0.988 272 E CA 0.643 56.973 56.400 -0.117 0.000 0.811 272 E CB -0.125 29.506 29.700 -0.115 0.000 0.746 272 E HN 0.433 nan 8.360 nan 0.000 0.466 273 A N 0.717 123.275 122.820 -0.436 0.000 2.014 273 A HA -0.077 4.260 4.320 0.027 0.000 0.218 273 A C 2.059 179.497 177.584 -0.243 0.000 1.163 273 A CA 0.722 52.295 52.037 -0.774 0.000 0.652 273 A CB -0.311 18.222 19.000 -0.779 0.000 0.808 273 A HN 0.132 nan 8.150 nan 0.000 0.449 274 L N -0.141 121.000 121.223 -0.136 0.000 2.291 274 L HA -0.072 4.285 4.340 0.027 0.000 0.214 274 L C 0.909 177.781 176.870 0.003 0.000 1.120 274 L CA 0.188 54.992 54.840 -0.060 0.000 0.799 274 L CB -0.293 41.733 42.059 -0.055 0.000 0.925 274 L HN 0.426 nan 8.230 nan 0.000 0.446 275 Q N 0.307 120.121 119.800 0.022 0.000 2.454 275 Q HA -0.050 4.306 4.340 0.027 0.000 0.247 275 Q C 0.329 176.393 176.000 0.107 0.000 1.028 275 Q CA -0.042 55.795 55.803 0.058 0.000 0.910 275 Q CB 0.649 29.422 28.738 0.057 0.000 1.276 275 Q HN 0.148 nan 8.270 nan 0.000 0.489 276 D N 1.370 121.822 120.400 0.087 0.000 2.178 276 D HA -0.153 4.503 4.640 0.027 0.000 0.202 276 D C 1.256 177.628 176.300 0.120 0.000 0.974 276 D CA 1.373 55.429 54.000 0.093 0.000 0.841 276 D CB 0.021 40.859 40.800 0.063 0.000 0.953 276 D HN 0.599 nan 8.370 nan 0.000 0.478 277 D N 0.171 120.648 120.400 0.128 0.000 2.178 277 D HA -0.195 4.461 4.640 0.027 0.000 0.201 277 D C 1.933 178.354 176.300 0.202 0.000 0.980 277 D CA 0.394 54.476 54.000 0.138 0.000 0.842 277 D CB -1.074 39.793 40.800 0.112 0.000 0.948 277 D HN 0.230 nan 8.370 nan 0.000 0.472 278 F N 1.083 121.092 119.950 0.098 0.000 2.234 278 F HA -0.001 4.542 4.527 0.027 0.000 0.299 278 F C 1.946 177.866 175.800 0.200 0.000 1.087 278 F CA 1.091 59.188 58.000 0.163 0.000 1.340 278 F CB 0.090 39.150 39.000 0.100 0.000 1.031 278 F HN -0.232 nan 8.300 nan 0.000 0.500 279 K N 0.293 120.823 120.400 0.217 0.000 2.097 279 K HA -0.029 4.308 4.320 0.027 0.000 0.205 279 K C 2.220 178.834 176.600 0.024 0.000 1.050 279 K CA 1.185 57.533 56.287 0.101 0.000 0.938 279 K CB -0.662 31.906 32.500 0.114 0.000 0.718 279 K HN 0.295 nan 8.250 nan 0.000 0.442 280 A N -0.061 122.791 122.820 0.054 0.000 1.929 280 A HA -0.158 4.178 4.320 0.027 0.000 0.216 280 A C 2.099 179.690 177.584 0.012 0.000 1.176 280 A CA 1.209 53.267 52.037 0.035 0.000 0.628 280 A CB -0.755 18.282 19.000 0.061 0.000 0.816 280 A HN 0.436 nan 8.150 nan 0.000 0.444 281 Y N 0.874 121.110 120.300 -0.108 0.000 2.097 281 Y HA -0.132 4.437 4.550 0.032 0.000 0.282 281 Y C 2.522 178.296 175.900 -0.210 0.000 1.152 281 Y CA 1.527 59.532 58.100 -0.159 0.000 1.136 281 Y CB -0.687 37.637 38.460 -0.228 0.000 0.975 281 Y HN 0.267 nan 8.280 nan 0.000 0.498 282 A N 0.503 122.968 122.820 -0.592 0.000 1.972 282 A HA -0.174 4.163 4.320 0.027 0.000 0.219 282 A C 2.338 179.727 177.584 -0.326 0.000 1.169 282 A CA 1.741 53.414 52.037 -0.607 0.000 0.635 282 A CB -0.761 18.001 19.000 -0.396 0.000 0.810 282 A HN 0.557 nan 8.150 nan 0.000 0.446 283 K N -0.398 119.886 120.400 -0.194 0.000 2.097 283 K HA -0.097 4.239 4.320 0.027 0.000 0.205 283 K C 2.244 178.778 176.600 -0.109 0.000 1.050 283 K CA 1.049 57.274 56.287 -0.103 0.000 0.938 283 K CB -0.148 32.323 32.500 -0.047 0.000 0.718 283 K HN 0.435 nan 8.250 nan 0.000 0.442 284 R N 0.174 120.590 120.500 -0.140 0.000 2.096 284 R HA -0.089 4.267 4.340 0.027 0.000 0.235 284 R C 2.261 178.480 176.300 -0.135 0.000 1.127 284 R CA 1.219 57.257 56.100 -0.103 0.000 0.968 284 R CB -0.306 29.957 30.300 -0.061 0.000 0.861 284 R HN 0.050 nan 8.270 nan 0.000 0.440 285 V N 0.596 120.345 119.914 -0.275 0.000 2.255 285 V HA -0.238 3.898 4.120 0.027 0.000 0.247 285 V C 2.368 178.408 176.094 -0.092 0.000 1.051 285 V CA 1.792 63.955 62.300 -0.227 0.000 1.018 285 V CB -0.416 31.180 31.823 -0.378 0.000 0.641 285 V HN 0.119 nan 8.190 nan 0.000 0.445 286 V N 0.046 119.911 119.914 -0.081 0.000 2.427 286 V HA -0.219 3.917 4.120 0.027 0.000 0.248 286 V C 2.276 178.360 176.094 -0.016 0.000 1.051 286 V CA 2.032 64.319 62.300 -0.020 0.000 1.048 286 V CB -0.717 31.104 31.823 -0.004 0.000 0.666 286 V HN 0.545 nan 8.190 nan 0.000 0.456 287 D N 0.356 120.740 120.400 -0.027 0.000 2.117 287 D HA -0.136 4.520 4.640 0.027 0.000 0.197 287 D C 2.063 178.361 176.300 -0.003 0.000 0.987 287 D CA 1.175 55.168 54.000 -0.012 0.000 0.829 287 D CB -0.369 40.423 40.800 -0.013 0.000 0.961 287 D HN 0.356 nan 8.370 nan 0.000 0.460 288 N N 0.713 119.411 118.700 -0.004 0.000 2.166 288 N HA -0.088 4.669 4.740 0.027 0.000 0.186 288 N C 1.713 177.230 175.510 0.012 0.000 1.019 288 N CA 1.187 54.246 53.050 0.016 0.000 0.856 288 N CB -0.338 38.167 38.487 0.029 0.000 0.993 288 N HN 0.121 nan 8.380 nan 0.000 0.426 289 A N 0.979 123.799 122.820 0.001 0.000 1.898 289 A HA -0.098 4.238 4.320 0.027 0.000 0.216 289 A C 2.178 179.756 177.584 -0.010 0.000 1.181 289 A CA 1.338 53.370 52.037 -0.008 0.000 0.620 289 A CB -0.373 18.620 19.000 -0.011 0.000 0.819 289 A HN 0.199 nan 8.150 nan 0.000 0.442 290 K N -1.090 119.307 120.400 -0.005 0.000 2.148 290 K HA -0.123 4.213 4.320 0.027 0.000 0.204 290 K C 2.325 178.927 176.600 0.004 0.000 1.050 290 K CA 1.330 57.616 56.287 -0.003 0.000 0.942 290 K CB -0.065 32.434 32.500 -0.001 0.000 0.724 290 K HN 0.304 nan 8.250 nan 0.000 0.446 291 R N 0.925 121.429 120.500 0.008 0.000 2.075 291 R HA -0.075 4.282 4.340 0.027 0.000 0.232 291 R C 1.995 178.306 176.300 0.017 0.000 1.126 291 R CA 1.084 57.193 56.100 0.014 0.000 0.963 291 R CB -0.624 29.687 30.300 0.018 0.000 0.858 291 R HN 0.124 nan 8.270 nan 0.000 0.435 292 L N 0.151 121.384 121.223 0.015 0.000 2.093 292 L HA 0.072 4.429 4.340 0.027 0.000 0.208 292 L C 2.051 178.924 176.870 0.005 0.000 1.085 292 L CA 2.090 56.937 54.840 0.012 0.000 0.755 292 L CB -0.827 41.235 42.059 0.006 0.000 0.904 292 L HN 0.257 nan 8.230 nan 0.000 0.435 293 A N -1.628 121.191 122.820 -0.002 0.000 1.877 293 A HA -0.233 4.103 4.320 0.027 0.000 0.216 293 A C 2.530 180.126 177.584 0.021 0.000 1.186 293 A CA 1.984 54.020 52.037 -0.001 0.000 0.620 293 A CB -1.174 17.820 19.000 -0.011 0.000 0.822 293 A HN 0.496 nan 8.150 nan 0.000 0.443 294 S N -0.698 115.014 115.700 0.020 0.000 2.383 294 S HA 0.007 4.493 4.470 0.027 0.000 0.227 294 S C 2.112 176.736 174.600 0.039 0.000 1.026 294 S CA 1.440 59.657 58.200 0.027 0.000 0.981 294 S CB -0.407 62.804 63.200 0.019 0.000 0.818 294 S HN 0.778 nan 8.310 nan 0.000 0.472 295 A N 0.907 123.752 122.820 0.040 0.000 1.968 295 A HA 0.168 4.504 4.320 0.027 0.000 0.217 295 A C 2.116 179.753 177.584 0.089 0.000 1.169 295 A CA 0.926 52.995 52.037 0.053 0.000 0.638 295 A CB -0.561 18.465 19.000 0.044 0.000 0.812 295 A HN 0.551 nan 8.150 nan 0.000 0.446 296 L N -0.959 120.322 121.223 0.095 0.000 2.109 296 L HA -0.205 4.151 4.340 0.027 0.000 0.207 296 L C 2.817 179.849 176.870 0.269 0.000 1.086 296 L CA 1.254 56.206 54.840 0.186 0.000 0.760 296 L CB -0.442 41.649 42.059 0.053 0.000 0.910 296 L HN 0.453 nan 8.230 nan 0.000 0.437 297 Q N -0.387 119.502 119.800 0.150 0.000 2.084 297 Q HA -0.231 4.126 4.340 0.027 0.000 0.202 297 Q C 2.048 178.093 176.000 0.074 0.000 0.978 297 Q CA 1.554 57.424 55.803 0.111 0.000 0.844 297 Q CB -0.268 28.511 28.738 0.067 0.000 0.898 297 Q HN 0.471 nan 8.270 nan 0.000 0.426 298 N N 0.451 119.191 118.700 0.067 0.000 2.205 298 N HA -0.194 4.562 4.740 0.027 0.000 0.186 298 N C 1.189 176.720 175.510 0.035 0.000 1.015 298 N CA 0.901 53.976 53.050 0.043 0.000 0.862 298 N CB 0.212 38.723 38.487 0.041 0.000 0.986 298 N HN 0.229 nan 8.380 nan 0.000 0.429 299 E N -0.339 119.908 120.200 0.079 0.000 2.427 299 E HA 0.002 4.369 4.350 0.027 0.000 0.196 299 E C 0.972 177.486 176.600 -0.143 0.000 1.028 299 E CA 0.677 57.104 56.400 0.045 0.000 0.864 299 E CB 0.033 29.868 29.700 0.226 0.000 0.813 299 E HN 0.593 nan 8.360 nan 0.000 0.514 300 G N 0.887 109.613 108.800 -0.123 0.000 2.143 300 G HA2 -0.209 3.767 3.960 0.027 0.000 0.175 300 G HA3 -0.209 3.767 3.960 0.027 0.000 0.175 300 G C -0.206 174.510 174.900 -0.307 0.000 1.004 300 G CA -0.471 44.495 45.100 -0.223 0.000 0.671 300 G HN 0.094 nan 8.290 nan 0.000 0.512 301 F N 1.856 121.808 119.950 0.002 0.000 2.404 301 F HA 0.563 5.107 4.527 0.028 0.000 0.345 301 F C 1.120 176.921 175.800 0.002 0.000 1.110 301 F CA -0.245 57.756 58.000 0.001 0.000 1.130 301 F CB 1.582 40.581 39.000 -0.001 0.000 1.129 301 F HN -0.062 nan 8.300 nan 0.000 0.500 302 T N 5.233 119.898 114.554 0.185 0.000 2.832 302 T HA 0.494 4.860 4.350 0.027 0.000 0.296 302 T C -0.064 174.699 174.700 0.106 0.000 0.968 302 T CA -0.371 61.798 62.100 0.115 0.000 1.107 302 T CB 0.258 69.176 68.868 0.083 0.000 0.916 302 T HN 0.290 nan 8.240 nan 0.000 0.517 303 L N 2.900 124.169 121.223 0.076 0.000 2.334 303 L HA 0.504 4.860 4.340 0.027 0.000 0.276 303 L C 0.086 176.975 176.870 0.031 0.000 1.014 303 L CA -1.348 53.513 54.840 0.035 0.000 0.815 303 L CB 1.655 43.728 42.059 0.024 0.000 1.268 303 L HN 0.320 nan 8.230 nan 0.000 0.428 304 V N 2.560 122.450 119.914 -0.040 0.000 2.529 304 V HA -0.026 4.110 4.120 0.027 0.000 0.292 304 V C 1.068 177.195 176.094 0.055 0.000 1.028 304 V CA 1.214 63.452 62.300 -0.103 0.000 1.074 304 V CB 0.898 32.574 31.823 -0.245 0.000 0.958 304 V HN 1.153 nan 8.190 nan 0.000 0.481 305 S N 2.673 118.566 115.700 0.321 0.000 2.929 305 S HA -0.210 4.277 4.470 0.027 0.000 0.271 305 S C 1.260 175.912 174.600 0.087 0.000 1.295 305 S CA 1.141 59.453 58.200 0.186 0.000 1.277 305 S CB -1.988 61.240 63.200 0.046 0.000 1.557 305 S HN 2.817 nan 8.310 nan 0.000 0.666 306 G N -0.145 108.708 108.800 0.089 0.000 2.176 306 G HA2 0.344 4.320 3.960 0.027 0.000 0.252 306 G HA3 0.344 4.320 3.960 0.027 0.000 0.252 306 G C 0.983 175.896 174.900 0.021 0.000 1.024 306 G CA 0.596 45.725 45.100 0.050 0.000 0.755 306 G HN 2.714 nan 8.290 nan 0.000 0.507 307 G N -2.582 106.221 108.800 0.005 0.000 2.288 307 G HA2 0.629 4.605 3.960 0.027 0.000 0.227 307 G HA3 0.629 4.605 3.960 0.027 0.000 0.227 307 G C -0.466 174.408 174.900 -0.043 0.000 1.339 307 G CA 0.810 45.902 45.100 -0.014 0.000 1.057 307 G HN 1.961 nan 8.290 nan 0.000 0.470 308 T N -1.175 113.352 114.554 -0.044 0.000 2.889 308 T HA 0.592 4.959 4.350 0.027 0.000 0.315 308 T C -1.189 173.488 174.700 -0.038 0.000 1.291 308 T CA 0.134 62.196 62.100 -0.063 0.000 1.028 308 T CB 1.946 70.772 68.868 -0.070 0.000 1.235 308 T HN 0.337 nan 8.240 nan 0.000 0.491 309 D N 1.468 121.848 120.400 -0.034 0.000 2.469 309 D HA 0.204 4.860 4.640 0.027 0.000 0.213 309 D C 0.536 176.874 176.300 0.065 0.000 1.135 309 D CA 0.204 54.209 54.000 0.008 0.000 0.834 309 D CB 0.588 41.390 40.800 0.003 0.000 1.009 309 D HN 0.661 nan 8.370 nan 0.000 0.507 310 N N -0.854 117.884 118.700 0.063 0.000 3.567 310 N HA -0.012 4.744 4.740 0.027 0.000 0.347 310 N C 1.072 176.652 175.510 0.117 0.000 1.553 310 N CA -0.268 52.872 53.050 0.151 0.000 0.636 310 N CB -0.209 38.434 38.487 0.259 0.000 2.483 310 N HN -0.155 nan 8.380 nan 0.000 0.608 311 H N -0.990 118.092 119.070 0.020 0.000 2.547 311 H HA 0.316 4.889 4.556 0.028 0.000 0.272 311 H C 0.215 175.544 175.328 0.001 0.000 0.971 311 H CA 0.042 56.092 56.048 0.004 0.000 1.245 311 H CB -0.248 29.527 29.762 0.023 0.000 1.440 311 H HN 0.509 nan 8.280 nan 0.000 0.540 312 L N 0.090 120.981 121.223 -0.552 0.000 2.301 312 L HA 0.682 5.038 4.340 0.027 0.000 0.264 312 L C -0.984 175.739 176.870 -0.244 0.000 1.016 312 L CA -1.546 53.039 54.840 -0.426 0.000 0.821 312 L CB 2.162 43.865 42.059 -0.593 0.000 1.346 312 L HN 0.052 nan 8.230 nan 0.000 0.429 313 L N -0.256 120.860 121.223 -0.178 0.000 2.415 313 L HA 0.786 5.143 4.340 0.027 0.000 0.256 313 L C -1.423 175.372 176.870 -0.124 0.000 1.010 313 L CA -0.801 53.959 54.840 -0.134 0.000 0.826 313 L CB 1.966 43.966 42.059 -0.098 0.000 1.405 313 L HN 0.666 nan 8.230 nan 0.000 0.410 314 L N 1.959 123.116 121.223 -0.110 0.000 2.349 314 L HA 0.646 5.003 4.340 0.027 0.000 0.278 314 L C -0.854 175.965 176.870 -0.086 0.000 0.996 314 L CA -0.913 53.866 54.840 -0.102 0.000 0.825 314 L CB 2.156 44.151 42.059 -0.108 0.000 1.243 314 L HN 0.514 nan 8.230 nan 0.000 0.412 315 V N 2.454 122.316 119.914 -0.087 0.000 2.408 315 V HA 0.096 4.233 4.120 0.027 0.000 0.267 315 V C -0.005 176.075 176.094 -0.025 0.000 1.047 315 V CA -0.475 61.788 62.300 -0.062 0.000 0.937 315 V CB 1.237 32.976 31.823 -0.141 0.000 0.999 315 V HN 0.586 nan 8.190 nan 0.000 0.472 316 D N 4.711 125.115 120.400 0.007 0.000 2.344 316 D HA 0.159 4.816 4.640 0.027 0.000 0.253 316 D C 0.631 176.974 176.300 0.073 0.000 1.255 316 D CA 0.095 54.104 54.000 0.016 0.000 0.894 316 D CB 1.065 41.872 40.800 0.011 0.000 1.067 316 D HN 0.470 nan 8.370 nan 0.000 0.492 317 L N 3.765 125.026 121.223 0.062 0.000 2.592 317 L HA 0.198 4.554 4.340 0.027 0.000 0.227 317 L C 2.329 179.242 176.870 0.072 0.000 1.127 317 L CA -0.179 54.719 54.840 0.097 0.000 0.884 317 L CB 0.055 42.160 42.059 0.076 0.000 1.065 317 L HN 0.268 nan 8.230 nan 0.000 0.457 318 R N 0.665 121.196 120.500 0.052 0.000 2.091 318 R HA -0.155 4.202 4.340 0.027 0.000 0.238 318 R C -0.337 175.983 176.300 0.034 0.000 1.136 318 R CA 1.511 57.635 56.100 0.040 0.000 0.959 318 R CB -1.378 28.943 30.300 0.035 0.000 0.856 318 R HN 0.307 nan 8.270 nan 0.000 0.437 319 P HA -0.142 nan 4.420 nan 0.000 0.216 319 P C 0.654 177.954 177.300 0.001 0.000 1.150 319 P CA 1.277 64.384 63.100 0.012 0.000 0.837 319 P CB 0.102 31.804 31.700 0.003 0.000 0.786 320 Q N -1.074 118.736 119.800 0.018 0.000 2.444 320 Q HA 0.049 4.406 4.340 0.027 0.000 0.206 320 Q C 0.327 176.342 176.000 0.026 0.000 0.948 320 Q CA 0.291 56.102 55.803 0.014 0.000 0.946 320 Q CB -0.587 28.182 28.738 0.052 0.000 1.027 320 Q HN 0.094 nan 8.270 nan 0.000 0.513 321 Q N -0.444 119.372 119.800 0.027 0.000 2.434 321 Q HA -0.217 4.139 4.340 0.027 0.000 0.299 321 Q C -1.069 174.950 176.000 0.033 0.000 1.286 321 Q CA 0.835 56.654 55.803 0.026 0.000 0.872 321 Q CB -1.815 26.934 28.738 0.018 0.000 1.193 321 Q HN 0.405 nan 8.270 nan 0.000 0.466 322 L N 0.109 121.358 121.223 0.044 0.000 2.346 322 L HA 0.486 4.842 4.340 0.027 0.000 0.274 322 L C 0.978 177.872 176.870 0.040 0.000 1.007 322 L CA -0.626 54.241 54.840 0.046 0.000 0.818 322 L CB 1.878 43.975 42.059 0.062 0.000 1.284 322 L HN 0.114 nan 8.230 nan 0.000 0.424 323 T N -1.478 113.096 114.554 0.034 0.000 2.899 323 T HA 0.244 4.610 4.350 0.027 0.000 0.284 323 T C 1.248 175.962 174.700 0.023 0.000 1.004 323 T CA -0.108 62.009 62.100 0.028 0.000 1.043 323 T CB 1.630 70.516 68.868 0.029 0.000 1.013 323 T HN 0.702 nan 8.240 nan 0.000 0.518 324 G N 0.213 109.022 108.800 0.014 0.000 2.422 324 G HA2 -0.188 3.788 3.960 0.027 0.000 0.218 324 G HA3 -0.188 3.788 3.960 0.027 0.000 0.218 324 G C 1.366 176.271 174.900 0.007 0.000 1.146 324 G CA 0.771 45.873 45.100 0.003 0.000 0.769 324 G HN 0.834 nan 8.290 nan 0.000 0.547 325 K N -0.119 120.291 120.400 0.017 0.000 2.057 325 K HA -0.105 4.231 4.320 0.027 0.000 0.207 325 K C 2.550 179.164 176.600 0.022 0.000 1.049 325 K CA 1.729 58.030 56.287 0.024 0.000 0.931 325 K CB -0.283 32.239 32.500 0.037 0.000 0.714 325 K HN 0.275 nan 8.250 nan 0.000 0.440 326 T N 0.646 115.214 114.554 0.024 0.000 2.777 326 T HA -0.096 4.270 4.350 0.027 0.000 0.266 326 T C 1.851 176.564 174.700 0.022 0.000 1.040 326 T CA 1.276 63.391 62.100 0.024 0.000 1.141 326 T CB -0.244 68.640 68.868 0.028 0.000 0.868 326 T HN 0.402 nan 8.240 nan 0.000 0.444 327 A N 1.287 124.119 122.820 0.020 0.000 1.898 327 A HA -0.107 4.229 4.320 0.027 0.000 0.216 327 A C 2.227 179.812 177.584 0.003 0.000 1.181 327 A CA 1.660 53.705 52.037 0.014 0.000 0.620 327 A CB -0.556 18.447 19.000 0.006 0.000 0.819 327 A HN 0.562 nan 8.150 nan 0.000 0.442 328 E N -0.174 120.027 120.200 0.001 0.000 2.077 328 E HA -0.240 4.126 4.350 0.027 0.000 0.193 328 E C 2.098 178.701 176.600 0.006 0.000 0.989 328 E CA 1.517 57.916 56.400 -0.001 0.000 0.800 328 E CB -0.117 29.583 29.700 0.001 0.000 0.746 328 E HN 0.638 nan 8.360 nan 0.000 0.452 329 K N 0.279 120.686 120.400 0.012 0.000 2.025 329 K HA -0.114 4.223 4.320 0.027 0.000 0.207 329 K C 2.129 178.738 176.600 0.014 0.000 1.049 329 K CA 1.253 57.548 56.287 0.014 0.000 0.933 329 K CB -0.163 32.347 32.500 0.017 0.000 0.714 329 K HN 0.083 nan 8.250 nan 0.000 0.438 330 V N 1.324 121.248 119.914 0.016 0.000 2.548 330 V HA -0.138 3.999 4.120 0.027 0.000 0.249 330 V C 1.982 178.086 176.094 0.017 0.000 1.055 330 V CA 1.298 63.609 62.300 0.019 0.000 1.065 330 V CB -0.127 31.710 31.823 0.024 0.000 0.681 330 V HN 0.328 nan 8.190 nan 0.000 0.462 331 L N -0.091 121.139 121.223 0.011 0.000 2.156 331 L HA -0.086 4.270 4.340 0.027 0.000 0.208 331 L C 2.259 179.134 176.870 0.009 0.000 1.095 331 L CA 1.833 56.677 54.840 0.007 0.000 0.770 331 L CB -0.507 41.549 42.059 -0.006 0.000 0.914 331 L HN 0.420 nan 8.230 nan 0.000 0.439 332 D N 0.261 120.666 120.400 0.009 0.000 2.144 332 D HA -0.214 4.442 4.640 0.027 0.000 0.199 332 D C 1.990 178.298 176.300 0.014 0.000 0.984 332 D CA 1.114 55.121 54.000 0.011 0.000 0.834 332 D CB 0.187 40.994 40.800 0.011 0.000 0.955 332 D HN 0.273 nan 8.370 nan 0.000 0.465 333 E N -0.585 119.623 120.200 0.015 0.000 2.204 333 E HA -0.111 4.256 4.350 0.027 0.000 0.194 333 E C 1.952 178.563 176.600 0.017 0.000 0.989 333 E CA 1.108 57.518 56.400 0.016 0.000 0.824 333 E CB 0.233 29.943 29.700 0.016 0.000 0.756 333 E HN 0.429 nan 8.360 nan 0.000 0.477 334 V N -4.141 115.783 119.914 0.018 0.000 3.621 334 V HA 0.454 4.591 4.120 0.027 0.000 0.285 334 V C 1.145 177.252 176.094 0.022 0.000 1.346 334 V CA 0.447 62.760 62.300 0.020 0.000 1.104 334 V CB 0.420 32.257 31.823 0.023 0.000 0.913 334 V HN 0.230 nan 8.190 nan 0.000 0.432 335 G N 0.798 109.610 108.800 0.020 0.000 2.163 335 G HA2 -0.172 3.804 3.960 0.027 0.000 0.213 335 G HA3 -0.172 3.804 3.960 0.027 0.000 0.213 335 G C -0.176 174.736 174.900 0.021 0.000 0.991 335 G CA 0.067 45.180 45.100 0.022 0.000 0.653 335 G HN 0.551 nan 8.290 nan 0.000 0.518 336 I N 2.213 122.793 120.570 0.016 0.000 2.321 336 I HA 0.368 4.555 4.170 0.027 0.000 0.291 336 I C 0.057 176.175 176.117 0.002 0.000 0.998 336 I CA -0.459 60.846 61.300 0.009 0.000 1.227 336 I CB 1.717 39.720 38.000 0.005 0.000 1.368 336 I HN 0.013 nan 8.210 nan 0.000 0.466 337 T N 6.636 121.189 114.554 -0.001 0.000 2.781 337 T HA 0.459 4.825 4.350 0.027 0.000 0.305 337 T C 0.064 174.756 174.700 -0.014 0.000 1.001 337 T CA -0.535 61.562 62.100 -0.004 0.000 0.950 337 T CB 0.668 69.538 68.868 0.002 0.000 0.955 337 T HN 0.417 nan 8.240 nan 0.000 0.471 338 V N 1.094 120.998 119.914 -0.017 0.000 3.181 338 V HA 0.783 4.919 4.120 0.027 0.000 0.314 338 V C -0.752 175.331 176.094 -0.017 0.000 1.173 338 V CA -1.400 60.886 62.300 -0.024 0.000 1.052 338 V CB 2.249 34.048 31.823 -0.040 0.000 1.123 338 V HN 0.853 nan 8.190 nan 0.000 0.454 339 N N -0.092 118.596 118.700 -0.020 0.000 2.238 339 N HA 0.346 5.102 4.740 0.027 0.000 0.302 339 N C -0.925 174.569 175.510 -0.026 0.000 1.072 339 N CA -0.843 52.197 53.050 -0.017 0.000 0.792 339 N CB 2.672 41.153 38.487 -0.009 0.000 1.425 339 N HN 0.963 nan 8.380 nan 0.000 0.478 340 K N 1.203 121.590 120.400 -0.023 0.000 2.489 340 K HA 0.077 4.413 4.320 0.027 0.000 0.278 340 K C -1.007 175.567 176.600 -0.043 0.000 1.000 340 K CA 0.000 56.271 56.287 -0.028 0.000 1.012 340 K CB 0.294 32.785 32.500 -0.016 0.000 0.903 340 K HN 0.682 nan 8.250 nan 0.000 0.485 341 N N 1.096 119.767 118.700 -0.048 0.000 2.369 341 N HA 0.078 4.834 4.740 0.027 0.000 0.287 341 N C -1.614 173.861 175.510 -0.059 0.000 1.067 341 N CA -0.606 52.408 53.050 -0.059 0.000 0.888 341 N CB 1.847 40.299 38.487 -0.058 0.000 1.616 341 N HN 0.756 nan 8.380 nan 0.000 0.482 342 T N 1.118 115.632 114.554 -0.067 0.000 2.928 342 T HA 0.299 4.666 4.350 0.027 0.000 0.305 342 T C 0.680 175.342 174.700 -0.062 0.000 1.035 342 T CA -0.390 61.675 62.100 -0.058 0.000 1.145 342 T CB -0.273 68.557 68.868 -0.062 0.000 0.963 342 T HN 0.419 nan 8.240 nan 0.000 0.545 343 I N 0.415 120.946 120.570 -0.065 0.000 2.566 343 I HA 0.604 4.790 4.170 0.027 0.000 0.303 343 I C -2.763 173.286 176.117 -0.114 0.000 0.983 343 I CA -3.592 57.647 61.300 -0.101 0.000 1.235 343 I CB 0.712 38.646 38.000 -0.111 0.000 1.386 343 I HN 0.309 nan 8.210 nan 0.000 0.494 344 P HA -0.011 nan 4.420 nan 0.000 0.262 344 P C -1.268 175.979 177.300 -0.088 0.000 1.182 344 P CA 0.712 63.610 63.100 -0.337 0.000 0.761 344 P CB -0.214 31.346 31.700 -0.233 0.000 0.795 345 Y N -0.390 119.792 120.300 -0.197 0.000 3.477 345 Y HA -0.250 4.316 4.550 0.028 0.000 0.216 345 Y C 0.761 176.658 175.900 -0.006 0.000 1.296 345 Y CA 0.293 58.375 58.100 -0.030 0.000 1.535 345 Y CB -2.328 36.123 38.460 -0.014 0.000 1.482 345 Y HN 0.401 nan 8.280 nan 0.000 0.597 346 D N 2.118 122.556 120.400 0.062 0.000 2.417 346 D HA 0.071 4.727 4.640 0.027 0.000 0.250 346 D C -0.808 175.528 176.300 0.059 0.000 1.166 346 D CA -1.118 52.909 54.000 0.045 0.000 0.881 346 D CB 1.164 41.968 40.800 0.007 0.000 1.164 346 D HN 0.169 nan 8.370 nan 0.000 0.467 347 P HA 0.008 nan 4.420 nan 0.000 0.233 347 P C -0.032 177.295 177.300 0.045 0.000 1.167 347 P CA 0.524 63.656 63.100 0.054 0.000 0.770 347 P CB 0.670 32.400 31.700 0.049 0.000 0.837 348 E N 0.406 120.630 120.200 0.039 0.000 2.227 348 E HA 0.259 4.626 4.350 0.027 0.000 0.268 348 E C 0.318 176.944 176.600 0.043 0.000 0.990 348 E CA -0.502 55.922 56.400 0.041 0.000 0.856 348 E CB 1.524 31.246 29.700 0.036 0.000 1.159 348 E HN 0.057 nan 8.360 nan 0.000 0.401 349 S N 1.157 116.896 115.700 0.066 0.000 2.584 349 S HA 0.107 4.594 4.470 0.027 0.000 0.270 349 S C -1.608 173.028 174.600 0.060 0.000 1.346 349 S CA -0.945 57.311 58.200 0.093 0.000 1.018 349 S CB 0.677 63.979 63.200 0.169 0.000 0.899 349 S HN 0.275 nan 8.310 nan 0.000 0.542 350 P HA -0.074 nan 4.420 nan 0.000 0.226 350 P C 0.484 177.597 177.300 -0.313 0.000 1.146 350 P CA 1.118 64.097 63.100 -0.202 0.000 0.773 350 P CB -0.218 31.277 31.700 -0.343 0.000 0.772 351 F N -1.676 118.267 119.950 -0.012 0.000 2.746 351 F HA 0.041 4.584 4.527 0.027 0.000 0.297 351 F C 2.135 177.932 175.800 -0.006 0.000 1.113 351 F CA 0.323 58.317 58.000 -0.010 0.000 1.367 351 F CB -0.082 38.912 39.000 -0.009 0.000 1.111 351 F HN -0.271 nan 8.300 nan 0.000 0.590 352 V N -1.940 118.057 119.914 0.139 0.000 2.948 352 V HA 0.132 4.269 4.120 0.027 0.000 0.234 352 V C 0.672 176.789 176.094 0.039 0.000 1.205 352 V CA 0.787 63.136 62.300 0.083 0.000 1.234 352 V CB -0.243 31.626 31.823 0.077 0.000 1.020 352 V HN 0.381 nan 8.190 nan 0.000 0.491 353 T N -0.828 113.741 114.554 0.024 0.000 0.541 353 T HA -0.243 4.124 4.350 0.027 0.000 0.774 353 T C 0.208 174.913 174.700 0.008 0.000 0.992 353 T CA 0.421 62.521 62.100 0.001 0.000 4.077 353 T CB -1.471 67.383 68.868 -0.023 0.000 2.303 353 T HN 0.339 nan 8.240 nan 0.000 0.398 354 S N 0.873 116.573 115.700 0.000 0.000 2.650 354 S HA 0.600 5.086 4.470 0.027 0.000 0.240 354 S C 0.693 175.292 174.600 -0.002 0.000 1.007 354 S CA -0.001 58.203 58.200 0.007 0.000 0.984 354 S CB 0.715 63.922 63.200 0.013 0.000 0.910 354 S HN 1.265 nan 8.310 nan 0.000 0.509 355 G N 1.493 110.283 108.800 -0.017 0.000 2.684 355 G HA2 0.698 4.675 3.960 0.027 0.000 0.290 355 G HA3 0.698 4.675 3.960 0.027 0.000 0.290 355 G C -1.496 173.380 174.900 -0.040 0.000 1.425 355 G CA -0.849 44.233 45.100 -0.031 0.000 0.822 355 G HN 0.288 nan 8.290 nan 0.000 0.482 356 I N -1.980 118.557 120.570 -0.056 0.000 2.545 356 I HA 0.739 4.925 4.170 0.027 0.000 0.292 356 I C -0.322 175.749 176.117 -0.078 0.000 1.040 356 I CA -1.187 60.074 61.300 -0.064 0.000 1.068 356 I CB 2.487 40.443 38.000 -0.072 0.000 1.251 356 I HN 0.444 nan 8.210 nan 0.000 0.424 357 R N 5.873 126.331 120.500 -0.069 0.000 2.312 357 R HA 0.742 5.098 4.340 0.027 0.000 0.311 357 R C -1.475 174.782 176.300 -0.072 0.000 1.004 357 R CA -0.491 55.563 56.100 -0.077 0.000 0.902 357 R CB 1.077 31.337 30.300 -0.067 0.000 1.073 357 R HN 0.798 nan 8.270 nan 0.000 0.457 358 I N 3.130 123.647 120.570 -0.088 0.000 2.499 358 I HA 0.407 4.593 4.170 0.027 0.000 0.288 358 I C 0.201 176.271 176.117 -0.078 0.000 1.048 358 I CA -0.790 60.465 61.300 -0.075 0.000 1.062 358 I CB 2.334 40.282 38.000 -0.086 0.000 1.238 358 I HN 0.721 nan 8.210 nan 0.000 0.426 359 G N 1.779 110.556 108.800 -0.039 0.000 2.473 359 G HA2 0.541 4.517 3.960 0.027 0.000 0.321 359 G HA3 0.541 4.517 3.960 0.027 0.000 0.321 359 G C 0.282 175.190 174.900 0.013 0.000 1.200 359 G CA -0.306 44.789 45.100 -0.009 0.000 0.963 359 G HN 0.607 nan 8.290 nan 0.000 0.483 360 T N -2.388 112.189 114.554 0.039 0.000 3.010 360 T HA 0.349 4.715 4.350 0.027 0.000 0.257 360 T C 2.173 176.899 174.700 0.043 0.000 1.020 360 T CA 1.128 63.245 62.100 0.029 0.000 0.938 360 T CB 0.623 69.503 68.868 0.020 0.000 1.049 360 T HN 0.667 nan 8.240 nan 0.000 0.522 361 A N 1.932 124.800 122.820 0.080 0.000 1.908 361 A HA 0.243 4.579 4.320 0.027 0.000 0.218 361 A C 2.675 180.357 177.584 0.163 0.000 1.181 361 A CA 1.881 53.983 52.037 0.108 0.000 0.627 361 A CB -1.306 17.769 19.000 0.126 0.000 0.818 361 A HN 0.717 nan 8.150 nan 0.000 0.445 362 A N -0.175 122.685 122.820 0.065 0.000 1.854 362 A HA 0.032 4.369 4.320 0.027 0.000 0.214 362 A C 2.304 180.007 177.584 0.197 0.000 1.192 362 A CA 2.126 54.188 52.037 0.043 0.000 0.611 362 A CB -1.251 17.636 19.000 -0.189 0.000 0.832 362 A HN 1.096 nan 8.150 nan 0.000 0.442 363 V N -2.469 117.450 119.914 0.007 0.000 2.515 363 V HA -0.153 3.984 4.120 0.027 0.000 0.250 363 V C 2.144 178.220 176.094 -0.029 0.000 1.058 363 V CA 2.518 64.662 62.300 -0.259 0.000 1.064 363 V CB -1.855 29.663 31.823 -0.509 0.000 0.675 363 V HN 0.416 nan 8.190 nan 0.000 0.461 364 T N 0.701 115.333 114.554 0.130 0.000 2.821 364 T HA -0.129 4.237 4.350 0.027 0.000 0.267 364 T C 1.939 176.852 174.700 0.356 0.000 1.046 364 T CA 2.082 64.316 62.100 0.223 0.000 1.139 364 T CB -0.569 68.358 68.868 0.097 0.000 0.871 364 T HN 0.658 nan 8.240 nan 0.000 0.454 365 T N 1.887 116.688 114.554 0.412 0.000 2.788 365 T HA -0.056 4.310 4.350 0.027 0.000 0.268 365 T C 2.055 176.855 174.700 0.168 0.000 1.044 365 T CA 0.894 63.151 62.100 0.262 0.000 1.139 365 T CB -0.140 68.872 68.868 0.241 0.000 0.867 365 T HN 0.355 nan 8.240 nan 0.000 0.454 366 R N 0.199 120.789 120.500 0.150 0.000 2.189 366 R HA 0.122 4.479 4.340 0.027 0.000 0.218 366 R C 1.774 178.199 176.300 0.207 0.000 1.074 366 R CA 0.835 56.986 56.100 0.084 0.000 0.991 366 R CB 0.057 30.329 30.300 -0.047 0.000 0.883 366 R HN 0.524 nan 8.270 nan 0.000 0.457 367 G N -0.478 108.488 108.800 0.277 0.000 2.164 367 G HA2 -0.201 3.776 3.960 0.027 0.000 0.154 367 G HA3 -0.201 3.776 3.960 0.027 0.000 0.154 367 G C -0.015 175.066 174.900 0.301 0.000 1.014 367 G CA -0.815 44.434 45.100 0.248 0.000 0.683 367 G HN 0.163 nan 8.290 nan 0.000 0.500 368 F N 1.431 121.413 119.950 0.053 0.000 2.495 368 F HA 0.475 5.019 4.527 0.028 0.000 0.365 368 F C 1.448 177.268 175.800 0.034 0.000 1.090 368 F CA 0.447 58.470 58.000 0.038 0.000 1.235 368 F CB 1.173 40.199 39.000 0.042 0.000 1.119 368 F HN 0.201 nan 8.300 nan 0.000 0.562 369 G N 2.805 111.668 108.800 0.106 0.000 3.107 369 G HA2 0.408 4.385 3.960 0.027 0.000 0.232 369 G HA3 0.408 4.385 3.960 0.027 0.000 0.232 369 G C 0.625 175.554 174.900 0.048 0.000 1.339 369 G CA -0.836 44.303 45.100 0.066 0.000 1.033 369 G HN 0.607 nan 8.290 nan 0.000 0.567 370 L N -0.121 121.119 121.223 0.027 0.000 2.127 370 L HA -0.070 4.286 4.340 0.027 0.000 0.211 370 L C 2.770 179.647 176.870 0.011 0.000 1.089 370 L CA 1.038 55.891 54.840 0.021 0.000 0.757 370 L CB -0.282 41.785 42.059 0.014 0.000 0.899 370 L HN 0.398 nan 8.230 nan 0.000 0.434 371 E N 0.466 120.661 120.200 -0.009 0.000 2.051 371 E HA -0.213 4.153 4.350 0.027 0.000 0.192 371 E C 2.120 178.699 176.600 -0.035 0.000 0.991 371 E CA 1.236 57.622 56.400 -0.025 0.000 0.799 371 E CB -0.147 29.527 29.700 -0.043 0.000 0.748 371 E HN 0.484 nan 8.360 nan 0.000 0.449 372 E N 0.164 120.325 120.200 -0.065 0.000 2.153 372 E HA -0.097 4.269 4.350 0.027 0.000 0.194 372 E C 1.933 178.563 176.600 0.048 0.000 0.988 372 E CA 0.754 57.102 56.400 -0.086 0.000 0.811 372 E CB -0.099 29.433 29.700 -0.280 0.000 0.746 372 E HN 0.148 nan 8.360 nan 0.000 0.466 373 M N 0.609 120.251 119.600 0.070 0.000 2.175 373 M HA -0.112 4.385 4.480 0.027 0.000 0.264 373 M C 1.132 177.462 176.300 0.050 0.000 1.063 373 M CA 1.244 56.590 55.300 0.077 0.000 1.119 373 M CB -0.703 31.935 32.600 0.063 0.000 1.377 373 M HN 0.040 nan 8.290 nan 0.000 0.415 374 D N 0.219 120.639 120.400 0.033 0.000 2.117 374 D HA -0.165 4.491 4.640 0.027 0.000 0.197 374 D C 1.999 178.317 176.300 0.031 0.000 0.987 374 D CA 1.213 55.230 54.000 0.028 0.000 0.829 374 D CB -0.159 40.651 40.800 0.017 0.000 0.961 374 D HN 0.357 nan 8.370 nan 0.000 0.460 375 E N 0.687 120.902 120.200 0.023 0.000 2.047 375 E HA -0.070 4.297 4.350 0.027 0.000 0.191 375 E C 2.137 178.763 176.600 0.044 0.000 0.987 375 E CA 0.615 57.029 56.400 0.024 0.000 0.799 375 E CB -0.371 29.329 29.700 -0.000 0.000 0.752 375 E HN 0.241 nan 8.360 nan 0.000 0.449 376 I N 0.584 121.192 120.570 0.064 0.000 2.208 376 I HA -0.318 3.868 4.170 0.027 0.000 0.245 376 I C 2.354 178.495 176.117 0.039 0.000 1.097 376 I CA 1.321 62.664 61.300 0.070 0.000 1.363 376 I CB -0.388 37.673 38.000 0.102 0.000 1.051 376 I HN 0.218 nan 8.210 nan 0.000 0.413 377 A N 0.429 123.271 122.820 0.038 0.000 1.930 377 A HA -0.106 4.230 4.320 0.027 0.000 0.217 377 A C 2.510 180.140 177.584 0.075 0.000 1.175 377 A CA 1.684 53.743 52.037 0.037 0.000 0.627 377 A CB -0.741 18.288 19.000 0.048 0.000 0.815 377 A HN 0.438 nan 8.150 nan 0.000 0.443 378 A N -0.007 122.853 122.820 0.067 0.000 1.930 378 A HA -0.027 4.309 4.320 0.027 0.000 0.217 378 A C 2.075 179.703 177.584 0.072 0.000 1.175 378 A CA 1.426 53.506 52.037 0.072 0.000 0.627 378 A CB -0.558 18.471 19.000 0.048 0.000 0.815 378 A HN 0.492 nan 8.150 nan 0.000 0.443 379 I N -0.380 120.224 120.570 0.057 0.000 2.252 379 I HA -0.234 3.953 4.170 0.027 0.000 0.245 379 I C 2.232 178.384 176.117 0.058 0.000 1.102 379 I CA 1.190 62.521 61.300 0.051 0.000 1.385 379 I CB -0.334 37.692 38.000 0.043 0.000 1.064 379 I HN 0.268 nan 8.210 nan 0.000 0.414 380 I N 0.867 121.463 120.570 0.044 0.000 2.208 380 I HA -0.231 3.955 4.170 0.027 0.000 0.245 380 I C 2.659 178.867 176.117 0.151 0.000 1.097 380 I CA 1.665 62.975 61.300 0.017 0.000 1.363 380 I CB -0.836 37.090 38.000 -0.123 0.000 1.051 380 I HN 0.280 nan 8.210 nan 0.000 0.413 381 G N 0.867 109.824 108.800 0.260 0.000 2.421 381 G HA2 -0.260 3.716 3.960 0.027 0.000 0.216 381 G HA3 -0.260 3.716 3.960 0.027 0.000 0.216 381 G C 1.657 176.667 174.900 0.183 0.000 1.171 381 G CA 0.598 45.915 45.100 0.362 0.000 0.775 381 G HN 0.272 nan 8.290 nan 0.000 0.543 382 L N 0.642 121.936 121.223 0.117 0.000 2.046 382 L HA -0.026 4.330 4.340 0.027 0.000 0.208 382 L C 2.874 179.788 176.870 0.072 0.000 1.077 382 L CA 1.423 56.307 54.840 0.074 0.000 0.747 382 L CB -0.301 41.791 42.059 0.055 0.000 0.896 382 L HN 0.092 nan 8.230 nan 0.000 0.432 383 V N -0.559 119.404 119.914 0.082 0.000 2.283 383 V HA -0.247 3.889 4.120 0.027 0.000 0.243 383 V C 2.350 178.495 176.094 0.086 0.000 1.039 383 V CA 1.922 64.263 62.300 0.069 0.000 1.016 383 V CB -0.473 31.382 31.823 0.053 0.000 0.650 383 V HN 0.396 nan 8.190 nan 0.000 0.449 384 L N -0.613 120.694 121.223 0.140 0.000 2.395 384 L HA -0.034 4.322 4.340 0.027 0.000 0.218 384 L C 2.188 179.138 176.870 0.133 0.000 1.130 384 L CA 1.125 56.066 54.840 0.168 0.000 0.826 384 L CB -0.418 41.816 42.059 0.293 0.000 0.941 384 L HN 0.298 nan 8.230 nan 0.000 0.451 385 K N 0.220 120.681 120.400 0.101 0.000 2.393 385 K HA 0.089 4.425 4.320 0.027 0.000 0.193 385 K C -0.114 176.501 176.600 0.025 0.000 1.026 385 K CA 0.252 56.557 56.287 0.031 0.000 1.064 385 K CB 0.249 32.742 32.500 -0.012 0.000 0.833 385 K HN 0.313 nan 8.250 nan 0.000 0.521 386 N N 0.084 118.808 118.700 0.039 0.000 2.672 386 N HA 0.054 4.811 4.740 0.027 0.000 0.295 386 N C 0.217 175.746 175.510 0.031 0.000 1.924 386 N CA -0.132 52.935 53.050 0.029 0.000 0.851 386 N CB 1.497 39.999 38.487 0.025 0.000 1.281 386 N HN -0.213 nan 8.380 nan 0.000 0.494 387 V N -0.326 119.608 119.914 0.033 0.000 2.515 387 V HA -0.087 4.049 4.120 0.027 0.000 0.250 387 V C 2.241 178.350 176.094 0.024 0.000 1.058 387 V CA 2.240 64.560 62.300 0.032 0.000 1.064 387 V CB -0.428 31.415 31.823 0.035 0.000 0.675 387 V HN 0.656 nan 8.190 nan 0.000 0.461 388 G N -1.050 107.763 108.800 0.020 0.000 2.572 388 G HA2 -0.103 3.874 3.960 0.027 0.000 0.216 388 G HA3 -0.103 3.874 3.960 0.027 0.000 0.216 388 G C 0.927 175.836 174.900 0.015 0.000 1.133 388 G CA 0.733 45.843 45.100 0.016 0.000 0.791 388 G HN 0.481 nan 8.290 nan 0.000 0.538 389 S N 0.431 116.141 115.700 0.016 0.000 2.439 389 S HA 0.266 4.752 4.470 0.027 0.000 0.282 389 S C 1.142 175.752 174.600 0.016 0.000 1.170 389 S CA -0.503 57.706 58.200 0.015 0.000 1.054 389 S CB 0.865 64.074 63.200 0.015 0.000 0.956 389 S HN 0.215 nan 8.310 nan 0.000 0.490 390 E N 3.652 123.860 120.200 0.014 0.000 2.216 390 E HA -0.141 4.226 4.350 0.027 0.000 0.192 390 E C 2.067 178.676 176.600 0.014 0.000 0.988 390 E CA 0.807 57.216 56.400 0.014 0.000 0.834 390 E CB -0.027 29.680 29.700 0.012 0.000 0.772 390 E HN 0.978 nan 8.360 nan 0.000 0.479 391 Q N 0.131 119.939 119.800 0.013 0.000 2.172 391 Q HA 0.032 4.389 4.340 0.027 0.000 0.200 391 Q C 1.996 178.005 176.000 0.015 0.000 0.964 391 Q CA 1.340 57.151 55.803 0.013 0.000 0.855 391 Q CB -0.227 28.518 28.738 0.011 0.000 0.918 391 Q HN 0.102 nan 8.270 nan 0.000 0.444 392 A N 1.681 124.511 122.820 0.017 0.000 1.929 392 A HA 0.013 4.349 4.320 0.027 0.000 0.216 392 A C 2.182 179.780 177.584 0.023 0.000 1.176 392 A CA 0.754 52.803 52.037 0.020 0.000 0.628 392 A CB -0.466 18.548 19.000 0.023 0.000 0.816 392 A HN 0.349 nan 8.150 nan 0.000 0.444 393 L N -0.861 120.375 121.223 0.022 0.000 2.156 393 L HA -0.110 4.246 4.340 0.027 0.000 0.208 393 L C 2.532 179.414 176.870 0.020 0.000 1.095 393 L CA 1.440 56.293 54.840 0.023 0.000 0.770 393 L CB -0.392 41.680 42.059 0.021 0.000 0.914 393 L HN 0.415 nan 8.230 nan 0.000 0.439 394 E N 0.900 121.111 120.200 0.018 0.000 2.107 394 E HA -0.247 4.119 4.350 0.027 0.000 0.191 394 E C 2.017 178.628 176.600 0.017 0.000 0.982 394 E CA 1.283 57.693 56.400 0.016 0.000 0.809 394 E CB 0.018 29.726 29.700 0.014 0.000 0.756 394 E HN 0.389 nan 8.360 nan 0.000 0.459 395 E N -0.442 119.768 120.200 0.017 0.000 2.077 395 E HA -0.210 4.157 4.350 0.027 0.000 0.193 395 E C 1.884 178.496 176.600 0.020 0.000 0.989 395 E CA 1.077 57.487 56.400 0.017 0.000 0.800 395 E CB -0.208 29.502 29.700 0.017 0.000 0.746 395 E HN 0.331 nan 8.360 nan 0.000 0.452 396 A N 1.287 124.121 122.820 0.023 0.000 1.902 396 A HA -0.173 4.163 4.320 0.027 0.000 0.217 396 A C 2.154 179.753 177.584 0.026 0.000 1.181 396 A CA 1.381 53.434 52.037 0.027 0.000 0.623 396 A CB -0.448 18.570 19.000 0.030 0.000 0.818 396 A HN 0.175 nan 8.150 nan 0.000 0.443 397 R N -0.620 119.894 120.500 0.023 0.000 2.091 397 R HA -0.183 4.173 4.340 0.027 0.000 0.238 397 R C 2.466 178.780 176.300 0.022 0.000 1.136 397 R CA 1.884 57.997 56.100 0.022 0.000 0.959 397 R CB -0.343 29.969 30.300 0.020 0.000 0.856 397 R HN 0.697 nan 8.270 nan 0.000 0.437 398 Q N -0.228 119.584 119.800 0.019 0.000 2.119 398 Q HA -0.109 4.247 4.340 0.027 0.000 0.201 398 Q C 2.077 178.087 176.000 0.017 0.000 0.972 398 Q CA 1.219 57.033 55.803 0.017 0.000 0.847 398 Q CB 0.030 28.776 28.738 0.014 0.000 0.903 398 Q HN 0.289 nan 8.270 nan 0.000 0.433 399 R N -0.329 120.182 120.500 0.019 0.000 2.115 399 R HA -0.038 4.318 4.340 0.027 0.000 0.226 399 R C 2.229 178.544 176.300 0.026 0.000 1.100 399 R CA 0.749 56.860 56.100 0.018 0.000 0.980 399 R CB -0.036 30.277 30.300 0.020 0.000 0.875 399 R HN 0.064 nan 8.270 nan 0.000 0.445 400 V N 0.900 120.834 119.914 0.033 0.000 2.307 400 V HA -0.196 3.940 4.120 0.027 0.000 0.245 400 V C 2.353 178.472 176.094 0.041 0.000 1.045 400 V CA 1.989 64.317 62.300 0.046 0.000 1.024 400 V CB -0.539 31.309 31.823 0.041 0.000 0.651 400 V HN 0.382 nan 8.190 nan 0.000 0.449 401 A N -0.187 122.650 122.820 0.029 0.000 2.019 401 A HA -0.050 4.286 4.320 0.027 0.000 0.219 401 A C 2.353 179.948 177.584 0.018 0.000 1.164 401 A CA 1.855 53.906 52.037 0.024 0.000 0.644 401 A CB -0.563 18.452 19.000 0.024 0.000 0.805 401 A HN 0.557 nan 8.150 nan 0.000 0.449 402 A N -0.389 122.438 122.820 0.013 0.000 1.929 402 A HA 0.076 4.413 4.320 0.027 0.000 0.216 402 A C 2.091 179.664 177.584 -0.019 0.000 1.176 402 A CA 1.226 53.262 52.037 -0.002 0.000 0.628 402 A CB -0.449 18.547 19.000 -0.006 0.000 0.816 402 A HN 0.452 nan 8.150 nan 0.000 0.444 403 L N 0.078 121.296 121.223 -0.010 0.000 2.156 403 L HA -0.073 4.283 4.340 0.027 0.000 0.208 403 L C 1.758 178.639 176.870 0.019 0.000 1.095 403 L CA 1.473 56.287 54.840 -0.043 0.000 0.770 403 L CB -0.408 41.669 42.059 0.030 0.000 0.914 403 L HN 0.562 nan 8.230 nan 0.000 0.439 404 T N -2.937 111.646 114.554 0.050 0.000 3.341 404 T HA 0.265 4.632 4.350 0.027 0.000 0.234 404 T C 0.013 174.676 174.700 -0.061 0.000 0.890 404 T CA -0.455 61.633 62.100 -0.020 0.000 0.952 404 T CB -0.247 68.563 68.868 -0.097 0.000 1.146 404 T HN 0.336 nan 8.240 nan 0.000 0.591 405 D N 0.000 120.397 120.400 -0.006 0.000 6.856 405 D HA 0.000 4.656 4.640 0.027 0.000 0.175 405 D CA 0.000 54.022 54.000 0.037 0.000 0.868 405 D CB 0.000 40.867 40.800 0.111 0.000 0.688 405 D HN 0.000 nan 8.370 nan 0.000 0.683