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 3kbc_1_A DATA FIRST_RESID 6 DATA SEQUENCE KYIEYPVLQK ILIGLILGAI VGLILGHYGY AHAVHTYVKP FGDLFVRLLC DATA SEQUENCE MLVMPIVFAS LVVGAASISP ARLGRVGVKI VVYYLLTSAF AVTLGIIMAR DATA SEQUENCE LFNPGAGIHL AVGGQQFQPH QAPPLVHILL DIVPTNPFGA LANGQVLPTI DATA SEQUENCE FFAIILGIAI TYLMNSENEK VRKSAETLLD AINGLAEAMY KIVNGVMQYA DATA SEQUENCE PIGVFALIAY VMAEQGVHVV GELAKVTAAV YVGLTLQILL VYFVLLKIYG DATA SEQUENCE IDPISFIKHA KDAMLTAFVT RSSSGTLPVT MRVAKEMGIS EGIYSFTLPL DATA SEQUENCE GATINMDGTA LYQGVATFFI ANALGSHLTV GQQLTIVLTA VLASIGTAGV DATA SEQUENCE PGAGAIMLCM VLHSVGLPLT DPNVAAAYAM ILGIDAILDM GRTMVNVTGD DATA SEQUENCE LTGTAIVAKT E 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 6 K HA 0.000 nan 4.320 nan 0.000 0.191 6 K C 0.000 176.823 176.600 0.372 0.000 0.988 6 K CA 0.000 56.366 56.287 0.132 0.000 0.838 6 K CB 0.000 32.534 32.500 0.056 0.000 1.064 7 Y N 0.676 120.978 120.300 0.004 0.000 2.805 7 Y HA -0.209 4.341 4.550 -0.000 0.000 0.471 7 Y C 0.643 176.538 175.900 -0.008 0.000 1.367 7 Y CA 0.624 58.719 58.100 -0.008 0.000 2.344 7 Y CB -1.375 37.084 38.460 -0.002 0.000 0.975 7 Y HN 0.350 nan 8.280 nan 0.000 0.500 8 I N 3.674 124.364 120.570 0.201 0.000 3.477 8 I HA -0.212 3.958 4.170 -0.000 0.000 0.295 8 I C 0.674 176.846 176.117 0.092 0.000 1.225 8 I CA 1.051 62.443 61.300 0.154 0.000 1.431 8 I CB 0.166 38.242 38.000 0.127 0.000 1.516 8 I HN 0.291 nan 8.210 nan 0.000 0.603 9 E N 5.503 125.722 120.200 0.032 0.000 2.514 9 E HA 0.062 4.412 4.350 -0.000 0.000 0.215 9 E C -0.004 176.576 176.600 -0.033 0.000 0.946 9 E CA -0.117 56.263 56.400 -0.032 0.000 1.038 9 E CB 0.019 29.663 29.700 -0.093 0.000 1.069 9 E HN 0.594 nan 8.360 nan 0.000 0.503 10 Y N 2.693 123.003 120.300 0.017 0.000 2.748 10 Y HA -0.083 4.467 4.550 -0.000 0.000 0.352 10 Y C -1.448 174.458 175.900 0.009 0.000 1.274 10 Y CA -0.388 57.717 58.100 0.009 0.000 1.472 10 Y CB -0.463 37.998 38.460 0.001 0.000 1.350 10 Y HN -0.083 nan 8.280 nan 0.000 0.672 11 P HA 0.003 nan 4.420 nan 0.000 0.263 11 P C 0.883 178.236 177.300 0.088 0.000 1.601 11 P CA 0.210 63.375 63.100 0.108 0.000 1.161 11 P CB 0.030 31.787 31.700 0.095 0.000 1.730 12 V N 3.044 123.005 119.914 0.078 0.000 2.310 12 V HA -0.376 3.744 4.120 -0.000 0.000 0.263 12 V C 2.067 178.180 176.094 0.031 0.000 1.108 12 V CA 2.355 64.689 62.300 0.056 0.000 1.104 12 V CB -2.155 29.701 31.823 0.054 0.000 0.736 12 V HN 0.353 nan 8.190 nan 0.000 0.456 13 L N -0.220 121.017 121.223 0.023 0.000 1.963 13 L HA -0.340 4.000 4.340 -0.000 0.000 0.220 13 L C 2.867 179.736 176.870 -0.002 0.000 1.076 13 L CA 2.836 57.677 54.840 0.001 0.000 0.772 13 L CB -0.359 41.697 42.059 -0.007 0.000 0.892 13 L HN 0.434 nan 8.230 nan 0.000 0.435 14 Q N -0.071 119.733 119.800 0.007 0.000 2.083 14 Q HA -0.217 4.123 4.340 -0.000 0.000 0.198 14 Q C 2.073 178.048 176.000 -0.042 0.000 0.969 14 Q CA 1.724 57.519 55.803 -0.013 0.000 0.838 14 Q CB -0.386 28.348 28.738 -0.006 0.000 0.900 14 Q HN 0.424 nan 8.270 nan 0.000 0.436 15 K N 0.300 120.684 120.400 -0.027 0.000 2.293 15 K HA -0.183 4.137 4.320 -0.000 0.000 0.204 15 K C 1.394 177.960 176.600 -0.057 0.000 1.045 15 K CA 1.174 57.430 56.287 -0.052 0.000 0.933 15 K CB -0.064 32.460 32.500 0.041 0.000 0.736 15 K HN 0.255 nan 8.250 nan 0.000 0.463 16 I N -0.126 120.423 120.570 -0.035 0.000 2.927 16 I HA -0.133 4.037 4.170 -0.000 0.000 0.268 16 I C 1.767 177.860 176.117 -0.039 0.000 1.153 16 I CA 0.165 61.442 61.300 -0.039 0.000 1.459 16 I CB 0.019 38.005 38.000 -0.023 0.000 1.149 16 I HN 0.054 nan 8.210 nan 0.000 0.443 17 L N 0.878 122.081 121.223 -0.034 0.000 2.265 17 L HA -0.186 4.154 4.340 -0.000 0.000 0.215 17 L C 2.423 179.276 176.870 -0.029 0.000 1.117 17 L CA 0.812 55.635 54.840 -0.028 0.000 0.782 17 L CB -0.402 41.644 42.059 -0.022 0.000 0.914 17 L HN 0.271 nan 8.230 nan 0.000 0.441 18 I N 0.081 120.623 120.570 -0.047 0.000 2.286 18 I HA -0.106 4.064 4.170 -0.000 0.000 0.245 18 I C 2.644 178.762 176.117 0.001 0.000 1.104 18 I CA 1.521 62.790 61.300 -0.052 0.000 1.397 18 I CB -1.763 36.167 38.000 -0.116 0.000 1.072 18 I HN 0.198 nan 8.210 nan 0.000 0.417 19 G N 1.042 109.848 108.800 0.011 0.000 2.408 19 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.217 19 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.217 19 G C 1.728 176.710 174.900 0.137 0.000 1.150 19 G CA 0.461 45.643 45.100 0.137 0.000 0.776 19 G HN 0.279 nan 8.290 nan 0.000 0.542 20 L N 0.947 122.183 121.223 0.021 0.000 1.961 20 L HA 0.005 4.345 4.340 -0.000 0.000 0.210 20 L C 2.596 179.454 176.870 -0.021 0.000 1.072 20 L CA 1.502 56.329 54.840 -0.022 0.000 0.749 20 L CB -0.480 41.561 42.059 -0.030 0.000 0.889 20 L HN 0.099 nan 8.230 nan 0.000 0.432 21 I N -0.589 119.977 120.570 -0.006 0.000 2.286 21 I HA -0.223 3.947 4.170 -0.000 0.000 0.248 21 I C 2.491 178.613 176.117 0.009 0.000 1.115 21 I CA 1.191 62.487 61.300 -0.006 0.000 1.392 21 I CB -1.368 36.628 38.000 -0.007 0.000 1.065 21 I HN 0.359 nan 8.210 nan 0.000 0.418 22 L N 1.383 122.640 121.223 0.057 0.000 2.109 22 L HA 0.055 4.395 4.340 -0.000 0.000 0.207 22 L C 2.368 179.315 176.870 0.129 0.000 1.086 22 L CA 1.891 56.809 54.840 0.130 0.000 0.760 22 L CB -1.117 41.055 42.059 0.188 0.000 0.910 22 L HN 0.170 nan 8.230 nan 0.000 0.437 23 G N -1.035 107.745 108.800 -0.034 0.000 2.408 23 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.217 23 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.217 23 G C 1.607 176.298 174.900 -0.350 0.000 1.150 23 G CA 0.703 45.414 45.100 -0.647 0.000 0.776 23 G HN 0.594 nan 8.290 nan 0.000 0.542 24 A N 0.810 123.527 122.820 -0.171 0.000 1.883 24 A HA -0.010 4.309 4.320 -0.000 0.000 0.217 24 A C 2.316 179.852 177.584 -0.081 0.000 1.186 24 A CA 1.682 53.654 52.037 -0.109 0.000 0.624 24 A CB -0.351 18.611 19.000 -0.063 0.000 0.822 24 A HN 0.290 nan 8.150 nan 0.000 0.444 25 I N -0.274 120.264 120.570 -0.053 0.000 2.202 25 I HA -0.168 4.002 4.170 -0.000 0.000 0.242 25 I C 2.350 178.447 176.117 -0.034 0.000 1.091 25 I CA 1.029 62.312 61.300 -0.027 0.000 1.368 25 I CB -0.792 37.203 38.000 -0.007 0.000 1.058 25 I HN 0.107 nan 8.210 nan 0.000 0.410 26 V N 1.046 120.935 119.914 -0.042 0.000 2.568 26 V HA -0.204 3.916 4.120 -0.000 0.000 0.253 26 V C 2.476 178.532 176.094 -0.064 0.000 1.072 26 V CA 1.952 64.234 62.300 -0.029 0.000 1.084 26 V CB -1.649 30.191 31.823 0.028 0.000 0.676 26 V HN 0.581 nan 8.190 nan 0.000 0.469 27 G N -0.057 108.677 108.800 -0.111 0.000 2.404 27 G HA2 -0.114 3.846 3.960 -0.000 0.000 0.214 27 G HA3 -0.114 3.846 3.960 -0.000 0.000 0.214 27 G C 1.414 176.286 174.900 -0.047 0.000 1.189 27 G CA 0.549 45.592 45.100 -0.094 0.000 0.789 27 G HN 0.320 nan 8.290 nan 0.000 0.533 28 L N 1.863 123.065 121.223 -0.034 0.000 1.976 28 L HA -0.083 4.257 4.340 -0.000 0.000 0.209 28 L C 3.088 179.994 176.870 0.059 0.000 1.071 28 L CA 1.823 56.663 54.840 0.001 0.000 0.746 28 L CB -1.600 40.466 42.059 0.012 0.000 0.890 28 L HN 0.506 nan 8.230 nan 0.000 0.432 29 I N -1.659 118.935 120.570 0.040 0.000 2.181 29 I HA -0.329 3.841 4.170 -0.000 0.000 0.247 29 I C 2.025 178.200 176.117 0.098 0.000 1.081 29 I CA 1.723 63.038 61.300 0.024 0.000 1.340 29 I CB -0.667 37.268 38.000 -0.108 0.000 1.036 29 I HN 0.124 nan 8.210 nan 0.000 0.417 30 L N 1.985 123.246 121.223 0.064 0.000 2.610 30 L HA 0.205 4.545 4.340 -0.000 0.000 0.232 30 L C 2.534 179.464 176.870 0.100 0.000 1.149 30 L CA 1.199 56.099 54.840 0.101 0.000 0.872 30 L CB -1.222 40.872 42.059 0.057 0.000 0.992 30 L HN 0.336 nan 8.230 nan 0.000 0.447 31 G N -1.156 107.688 108.800 0.074 0.000 2.433 31 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.216 31 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.216 31 G C 0.994 175.850 174.900 -0.075 0.000 1.186 31 G CA 0.524 45.590 45.100 -0.057 0.000 0.779 31 G HN 0.378 nan 8.290 nan 0.000 0.543 32 H N -1.899 117.270 119.070 0.165 0.000 2.885 32 H HA 0.435 4.991 4.556 -0.000 0.000 0.263 32 H C 0.693 176.157 175.328 0.225 0.000 1.564 32 H CA -0.249 55.846 56.048 0.078 0.000 1.632 32 H CB 0.203 29.919 29.762 -0.076 0.000 1.650 32 H HN 0.247 nan 8.280 nan 0.000 0.928 33 Y N -0.880 119.522 120.300 0.170 0.000 2.896 33 Y HA -0.301 4.249 4.550 -0.000 0.000 0.464 33 Y C 1.459 177.399 175.900 0.068 0.000 1.198 33 Y CA 0.710 58.864 58.100 0.090 0.000 2.486 33 Y CB -1.538 36.970 38.460 0.079 0.000 1.234 33 Y HN 0.854 nan 8.280 nan 0.000 0.634 34 G N 0.670 109.631 108.800 0.267 0.000 2.148 34 G HA2 0.295 4.255 3.960 -0.000 0.000 0.275 34 G HA3 0.295 4.255 3.960 -0.000 0.000 0.275 34 G C 0.019 175.005 174.900 0.143 0.000 0.979 34 G CA 0.233 45.431 45.100 0.163 0.000 1.154 34 G HN 1.208 nan 8.290 nan 0.000 0.377 35 Y N 0.335 120.705 120.300 0.117 0.000 2.993 35 Y HA 0.293 4.843 4.550 -0.000 0.000 0.340 35 Y C 1.723 177.699 175.900 0.126 0.000 1.273 35 Y CA -0.049 58.111 58.100 0.100 0.000 1.545 35 Y CB 0.084 38.596 38.460 0.087 0.000 1.275 35 Y HN 1.309 nan 8.280 nan 0.000 0.617 36 A N 0.864 123.735 122.820 0.084 0.000 2.131 36 A HA -0.128 4.192 4.320 -0.000 0.000 0.220 36 A C 1.828 179.505 177.584 0.157 0.000 1.158 36 A CA 1.766 53.849 52.037 0.077 0.000 0.665 36 A CB -1.100 17.876 19.000 -0.041 0.000 0.795 36 A HN 1.262 nan 8.150 nan 0.000 0.460 37 H N 0.256 119.380 119.070 0.090 0.000 2.357 37 H HA -0.164 4.392 4.556 -0.000 0.000 0.296 37 H C 2.132 177.586 175.328 0.211 0.000 1.108 37 H CA 2.233 58.362 56.048 0.135 0.000 1.273 37 H CB -0.166 29.648 29.762 0.086 0.000 1.367 37 H HN 0.436 nan 8.280 nan 0.000 0.498 38 A N -0.276 122.726 122.820 0.303 0.000 1.972 38 A HA -0.124 4.196 4.320 -0.000 0.000 0.219 38 A C 2.656 180.434 177.584 0.324 0.000 1.169 38 A CA 1.668 53.904 52.037 0.332 0.000 0.635 38 A CB -0.749 18.417 19.000 0.276 0.000 0.810 38 A HN 0.348 nan 8.150 nan 0.000 0.446 39 V N -0.462 119.600 119.914 0.246 0.000 2.323 39 V HA -0.209 3.911 4.120 -0.000 0.000 0.244 39 V C 2.386 178.647 176.094 0.279 0.000 1.041 39 V CA 1.818 64.268 62.300 0.251 0.000 1.025 39 V CB -0.983 30.955 31.823 0.191 0.000 0.656 39 V HN 0.808 nan 8.190 nan 0.000 0.451 40 H N -0.010 119.175 119.070 0.191 0.000 2.568 40 H HA -0.074 4.482 4.556 -0.000 0.000 0.281 40 H C 1.663 176.963 175.328 -0.047 0.000 1.028 40 H CA 1.532 57.703 56.048 0.206 0.000 1.199 40 H CB 0.290 30.184 29.762 0.220 0.000 1.352 40 H HN 0.447 nan 8.280 nan 0.000 0.605 41 T N -1.435 113.072 114.554 -0.078 0.000 2.987 41 T HA 0.044 4.394 4.350 -0.000 0.000 0.248 41 T C 0.807 175.232 174.700 -0.459 0.000 0.997 41 T CA 0.136 62.038 62.100 -0.330 0.000 1.013 41 T CB 0.090 68.708 68.868 -0.417 0.000 1.077 41 T HN 0.315 nan 8.240 nan 0.000 0.483 42 Y N -0.127 120.211 120.300 0.064 0.000 2.430 42 Y HA 0.391 4.941 4.550 -0.000 0.000 0.254 42 Y C 1.963 178.012 175.900 0.248 0.000 1.088 42 Y CA -0.232 57.946 58.100 0.130 0.000 1.267 42 Y CB 0.481 39.029 38.460 0.147 0.000 1.204 42 Y HN -0.037 nan 8.280 nan 0.000 0.515 43 V N 0.038 120.157 119.914 0.341 0.000 2.521 43 V HA -0.120 4.000 4.120 -0.000 0.000 0.239 43 V C 2.215 178.481 176.094 0.286 0.000 1.053 43 V CA 1.369 63.882 62.300 0.355 0.000 1.073 43 V CB -0.233 31.750 31.823 0.265 0.000 0.746 43 V HN 0.153 nan 8.190 nan 0.000 0.476 44 K N 1.001 121.467 120.400 0.110 0.000 2.113 44 K HA -0.184 4.136 4.320 -0.000 0.000 0.208 44 K C -0.265 176.283 176.600 -0.088 0.000 1.047 44 K CA 1.934 58.171 56.287 -0.084 0.000 0.928 44 K CB -1.105 31.136 32.500 -0.430 0.000 0.716 44 K HN 0.403 nan 8.250 nan 0.000 0.446 45 P HA -0.193 nan 4.420 nan 0.000 0.217 45 P C 0.960 178.155 177.300 -0.174 0.000 1.151 45 P CA 1.527 64.490 63.100 -0.228 0.000 0.849 45 P CB -0.177 31.303 31.700 -0.366 0.000 0.787 46 F N 0.077 120.079 119.950 0.087 0.000 2.259 46 F HA 0.082 4.609 4.527 -0.000 0.000 0.298 46 F C 2.739 178.680 175.800 0.236 0.000 1.088 46 F CA 1.364 59.483 58.000 0.199 0.000 1.358 46 F CB -1.582 37.546 39.000 0.213 0.000 1.040 46 F HN -0.051 nan 8.300 nan 0.000 0.505 47 G N -0.360 108.621 108.800 0.302 0.000 2.443 47 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.219 47 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.219 47 G C 1.157 176.193 174.900 0.228 0.000 1.131 47 G CA 1.019 46.249 45.100 0.216 0.000 0.775 47 G HN 0.225 nan 8.290 nan 0.000 0.547 48 D N 0.068 120.545 120.400 0.128 0.000 2.149 48 D HA -0.035 4.605 4.640 -0.000 0.000 0.206 48 D C 2.338 178.703 176.300 0.108 0.000 0.967 48 D CA 0.137 54.184 54.000 0.078 0.000 0.848 48 D CB -0.480 40.300 40.800 -0.035 0.000 0.998 48 D HN 0.189 nan 8.370 nan 0.000 0.474 49 L N 0.317 121.600 121.223 0.100 0.000 2.051 49 L HA -0.173 4.167 4.340 -0.000 0.000 0.214 49 L C 2.054 178.969 176.870 0.073 0.000 1.076 49 L CA 1.507 56.369 54.840 0.037 0.000 0.758 49 L CB -0.779 41.284 42.059 0.007 0.000 0.890 49 L HN 0.003 nan 8.230 nan 0.000 0.433 50 F N -0.828 119.193 119.950 0.118 0.000 2.075 50 F HA -0.206 4.321 4.527 -0.000 0.000 0.297 50 F C 2.234 178.107 175.800 0.122 0.000 1.113 50 F CA 2.102 60.210 58.000 0.181 0.000 1.218 50 F CB -0.510 38.717 39.000 0.378 0.000 0.984 50 F HN -0.095 nan 8.300 nan 0.000 0.472 51 V N 1.116 121.212 119.914 0.303 0.000 2.469 51 V HA -0.322 3.798 4.120 -0.000 0.000 0.251 51 V C 2.408 178.526 176.094 0.040 0.000 1.064 51 V CA 2.325 64.746 62.300 0.200 0.000 1.066 51 V CB -0.782 31.191 31.823 0.250 0.000 0.667 51 V HN 0.333 nan 8.190 nan 0.000 0.461 52 R N -0.414 120.087 120.500 0.002 0.000 2.075 52 R HA 0.051 4.391 4.340 -0.000 0.000 0.226 52 R C 2.308 178.555 176.300 -0.088 0.000 1.114 52 R CA 0.980 57.054 56.100 -0.043 0.000 0.972 52 R CB -0.409 29.865 30.300 -0.043 0.000 0.869 52 R HN 0.388 nan 8.270 nan 0.000 0.437 53 L N 0.782 121.925 121.223 -0.133 0.000 2.137 53 L HA -0.250 4.090 4.340 -0.000 0.000 0.213 53 L C 1.930 178.701 176.870 -0.166 0.000 1.085 53 L CA 1.101 55.841 54.840 -0.166 0.000 0.760 53 L CB -0.501 41.424 42.059 -0.223 0.000 0.893 53 L HN 0.146 nan 8.230 nan 0.000 0.434 54 L N -1.331 119.778 121.223 -0.190 0.000 2.068 54 L HA -0.099 4.240 4.340 -0.000 0.000 0.204 54 L C 2.542 179.373 176.870 -0.064 0.000 1.076 54 L CA 1.300 56.059 54.840 -0.136 0.000 0.753 54 L CB -1.145 40.832 42.059 -0.136 0.000 0.910 54 L HN 0.219 nan 8.230 nan 0.000 0.439 55 C N -0.442 118.830 119.300 -0.048 0.000 2.409 55 C HA -0.180 4.280 4.460 -0.000 0.000 0.284 55 C C 2.887 177.845 174.990 -0.052 0.000 1.354 55 C CA 0.601 59.595 59.018 -0.038 0.000 1.787 55 C CB -0.970 26.742 27.740 -0.046 0.000 1.900 55 C HN 0.570 nan 8.230 nan 0.000 0.520 56 M N 0.481 120.041 119.600 -0.067 0.000 2.065 56 M HA -0.173 4.306 4.480 -0.000 0.000 0.259 56 M C 2.081 178.337 176.300 -0.073 0.000 1.071 56 M CA 2.056 57.313 55.300 -0.071 0.000 1.109 56 M CB -0.278 32.274 32.600 -0.079 0.000 1.313 56 M HN 0.332 nan 8.290 nan 0.000 0.408 57 L N -0.577 120.598 121.223 -0.080 0.000 2.083 57 L HA -0.191 4.149 4.340 -0.000 0.000 0.209 57 L C 2.553 179.378 176.870 -0.074 0.000 1.083 57 L CA 1.000 55.785 54.840 -0.090 0.000 0.752 57 L CB -1.129 40.863 42.059 -0.111 0.000 0.899 57 L HN 0.347 nan 8.230 nan 0.000 0.433 58 V N 0.246 120.129 119.914 -0.051 0.000 2.311 58 V HA -0.411 3.709 4.120 -0.000 0.000 0.259 58 V C 2.530 178.603 176.094 -0.036 0.000 1.086 58 V CA 2.269 64.552 62.300 -0.029 0.000 1.078 58 V CB -0.147 31.671 31.823 -0.008 0.000 0.668 58 V HN 0.369 nan 8.190 nan 0.000 0.452 59 M N -0.668 118.899 119.600 -0.055 0.000 2.115 59 M HA 0.054 4.534 4.480 -0.000 0.000 0.261 59 M C 0.345 176.646 176.300 0.001 0.000 1.079 59 M CA 1.864 57.139 55.300 -0.042 0.000 1.143 59 M CB -2.676 29.878 32.600 -0.078 0.000 1.332 59 M HN 0.304 nan 8.290 nan 0.000 0.421 60 P HA -0.129 nan 4.420 nan 0.000 0.216 60 P C 1.724 179.056 177.300 0.054 0.000 1.150 60 P CA 1.318 64.423 63.100 0.008 0.000 0.843 60 P CB -0.480 31.197 31.700 -0.038 0.000 0.787 61 I N -4.245 116.313 120.570 -0.020 0.000 2.333 61 I HA -0.103 4.067 4.170 -0.000 0.000 0.246 61 I C 1.772 177.913 176.117 0.040 0.000 1.106 61 I CA 1.151 62.425 61.300 -0.043 0.000 1.411 61 I CB -1.219 36.684 38.000 -0.161 0.000 1.082 61 I HN -0.265 nan 8.210 nan 0.000 0.420 62 V N 1.025 120.974 119.914 0.058 0.000 2.688 62 V HA -0.246 3.874 4.120 -0.000 0.000 0.256 62 V C 2.181 178.349 176.094 0.124 0.000 1.084 62 V CA 2.107 64.455 62.300 0.080 0.000 1.103 62 V CB -1.044 30.822 31.823 0.072 0.000 0.688 62 V HN 0.565 nan 8.190 nan 0.000 0.480 63 F N 0.959 120.909 119.950 0.000 0.000 2.204 63 F HA 0.265 4.792 4.527 -0.000 0.000 0.276 63 F C 2.343 178.153 175.800 0.017 0.000 1.085 63 F CA 1.173 59.183 58.000 0.016 0.000 1.160 63 F CB -0.633 38.373 39.000 0.010 0.000 1.091 63 F HN 0.000 nan 8.300 nan 0.000 0.522 64 A N -0.385 122.541 122.820 0.176 0.000 1.917 64 A HA -0.250 4.070 4.320 -0.000 0.000 0.219 64 A C 2.320 179.879 177.584 -0.043 0.000 1.182 64 A CA 2.221 54.276 52.037 0.030 0.000 0.633 64 A CB -1.591 17.497 19.000 0.146 0.000 0.819 64 A HN 0.520 nan 8.150 nan 0.000 0.448 65 S N -0.799 114.913 115.700 0.020 0.000 2.400 65 S HA -0.097 4.373 4.470 -0.000 0.000 0.232 65 S C 1.762 176.347 174.600 -0.025 0.000 1.025 65 S CA 1.605 59.834 58.200 0.047 0.000 0.993 65 S CB -0.401 62.853 63.200 0.090 0.000 0.808 65 S HN 0.505 nan 8.310 nan 0.000 0.478 66 L N 0.395 121.564 121.223 -0.089 0.000 2.354 66 L HA 0.129 4.468 4.340 -0.000 0.000 0.212 66 L C 2.268 179.023 176.870 -0.191 0.000 1.091 66 L CA 0.239 55.009 54.840 -0.117 0.000 0.828 66 L CB -0.275 41.729 42.059 -0.091 0.000 0.973 66 L HN 0.175 nan 8.230 nan 0.000 0.461 67 V N -0.412 119.321 119.914 -0.302 0.000 2.427 67 V HA -0.207 3.913 4.120 -0.000 0.000 0.248 67 V C 2.371 178.351 176.094 -0.190 0.000 1.051 67 V CA 1.362 63.471 62.300 -0.318 0.000 1.048 67 V CB -0.154 31.400 31.823 -0.448 0.000 0.666 67 V HN 0.195 nan 8.190 nan 0.000 0.456 68 V N 0.825 120.654 119.914 -0.142 0.000 2.346 68 V HA -0.067 4.053 4.120 -0.000 0.000 0.244 68 V C 2.690 178.728 176.094 -0.094 0.000 1.037 68 V CA 1.974 64.217 62.300 -0.095 0.000 1.029 68 V CB -1.392 30.397 31.823 -0.056 0.000 0.663 68 V HN 0.566 nan 8.190 nan 0.000 0.454 69 G N -0.037 108.711 108.800 -0.087 0.000 2.469 69 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.219 69 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.219 69 G C 1.770 176.618 174.900 -0.087 0.000 1.150 69 G CA 1.300 46.351 45.100 -0.082 0.000 0.763 69 G HN 0.605 nan 8.290 nan 0.000 0.561 70 A N 1.237 123.998 122.820 -0.099 0.000 1.877 70 A HA 0.250 4.570 4.320 -0.000 0.000 0.216 70 A C 2.827 180.358 177.584 -0.089 0.000 1.186 70 A CA 2.370 54.350 52.037 -0.096 0.000 0.620 70 A CB -0.908 18.016 19.000 -0.127 0.000 0.822 70 A HN 0.939 nan 8.150 nan 0.000 0.443 71 A N -0.695 122.065 122.820 -0.100 0.000 2.070 71 A HA 0.003 4.323 4.320 -0.000 0.000 0.220 71 A C 1.924 179.456 177.584 -0.086 0.000 1.159 71 A CA 1.649 53.630 52.037 -0.094 0.000 0.656 71 A CB -0.545 18.399 19.000 -0.093 0.000 0.800 71 A HN 0.400 nan 8.150 nan 0.000 0.453 72 S N -0.903 114.744 115.700 -0.088 0.000 2.685 72 S HA 0.446 4.916 4.470 -0.000 0.000 0.240 72 S C 0.522 175.077 174.600 -0.074 0.000 0.967 72 S CA 0.095 58.239 58.200 -0.094 0.000 1.009 72 S CB -0.342 62.784 63.200 -0.123 0.000 0.776 72 S HN 0.557 nan 8.310 nan 0.000 0.467 73 I N -0.752 119.788 120.570 -0.052 0.000 4.262 73 I HA 0.020 4.189 4.170 -0.000 0.000 0.382 73 I C -0.430 175.677 176.117 -0.016 0.000 1.146 73 I CA -0.046 61.242 61.300 -0.019 0.000 1.201 73 I CB 0.433 38.423 38.000 -0.017 0.000 2.367 73 I HN -0.062 nan 8.210 nan 0.000 0.758 74 S N 5.867 121.539 115.700 -0.047 0.000 2.589 74 S HA 0.088 4.558 4.470 -0.000 0.000 0.306 74 S C -2.213 172.351 174.600 -0.060 0.000 1.221 74 S CA -0.245 57.918 58.200 -0.060 0.000 1.159 74 S CB -0.323 62.795 63.200 -0.137 0.000 0.990 74 S HN 0.141 nan 8.310 nan 0.000 0.514 75 P HA 0.395 nan 4.420 nan 0.000 0.292 75 P C -1.006 176.356 177.300 0.104 0.000 1.326 75 P CA -0.459 62.663 63.100 0.036 0.000 0.787 75 P CB 0.917 32.652 31.700 0.059 0.000 0.903 76 A N 3.518 126.358 122.820 0.033 0.000 2.312 76 A HA 0.793 5.113 4.320 -0.000 0.000 0.326 76 A C 0.944 178.432 177.584 -0.160 0.000 1.172 76 A CA -0.402 51.610 52.037 -0.043 0.000 0.821 76 A CB 0.694 19.692 19.000 -0.004 0.000 1.166 76 A HN 0.510 nan 8.150 nan 0.000 0.493 77 R N 1.077 121.516 120.500 -0.102 0.000 2.344 77 R HA 0.384 4.724 4.340 -0.000 0.000 0.186 77 R C -0.451 175.835 176.300 -0.024 0.000 0.603 77 R CA 0.664 56.699 56.100 -0.109 0.000 0.827 77 R CB -1.438 28.764 30.300 -0.164 0.000 1.419 77 R HN 1.580 nan 8.270 nan 0.000 0.489 78 L N -2.303 118.925 121.223 0.007 0.000 2.410 78 L HA 0.997 5.337 4.340 -0.000 0.000 0.270 78 L C 0.522 177.383 176.870 -0.016 0.000 0.983 78 L CA -1.233 53.648 54.840 0.070 0.000 0.822 78 L CB 2.047 44.206 42.059 0.167 0.000 1.285 78 L HN 0.151 nan 8.230 nan 0.000 0.409 79 G N 1.593 110.326 108.800 -0.111 0.000 2.825 79 G HA2 -0.047 3.913 3.960 -0.000 0.000 0.241 79 G HA3 -0.047 3.913 3.960 -0.000 0.000 0.241 79 G C 0.352 175.174 174.900 -0.129 0.000 1.239 79 G CA -0.233 44.766 45.100 -0.169 0.000 0.859 79 G HN 0.970 nan 8.290 nan 0.000 0.598 80 R N -0.070 120.369 120.500 -0.102 0.000 2.320 80 R HA 0.132 4.472 4.340 -0.000 0.000 0.211 80 R C 1.857 178.109 176.300 -0.079 0.000 0.931 80 R CA 0.160 56.224 56.100 -0.060 0.000 1.071 80 R CB -0.051 30.228 30.300 -0.035 0.000 1.025 80 R HN 0.331 nan 8.270 nan 0.000 0.495 81 V N -0.836 118.980 119.914 -0.162 0.000 2.951 81 V HA 0.118 4.238 4.120 -0.000 0.000 0.255 81 V C 1.484 177.489 176.094 -0.148 0.000 1.088 81 V CA 1.844 64.032 62.300 -0.187 0.000 1.109 81 V CB 0.527 32.161 31.823 -0.314 0.000 0.724 81 V HN 0.486 nan 8.190 nan 0.000 0.471 82 G N -0.706 108.008 108.800 -0.143 0.000 2.497 82 G HA2 -0.070 3.890 3.960 -0.000 0.000 0.210 82 G HA3 -0.070 3.890 3.960 -0.000 0.000 0.210 82 G C 1.536 176.530 174.900 0.158 0.000 1.177 82 G CA 0.890 46.079 45.100 0.148 0.000 0.822 82 G HN 0.319 nan 8.290 nan 0.000 0.550 83 V N 1.408 121.372 119.914 0.083 0.000 2.311 83 V HA -0.358 3.762 4.120 -0.000 0.000 0.256 83 V C 2.805 178.958 176.094 0.098 0.000 1.077 83 V CA 2.625 64.974 62.300 0.083 0.000 1.067 83 V CB -0.546 31.303 31.823 0.044 0.000 0.659 83 V HN 0.390 nan 8.190 nan 0.000 0.451 84 K N -0.663 119.781 120.400 0.073 0.000 1.985 84 K HA -0.161 4.159 4.320 -0.000 0.000 0.210 84 K C 2.135 178.802 176.600 0.113 0.000 1.047 84 K CA 1.803 58.131 56.287 0.068 0.000 0.932 84 K CB -0.491 32.021 32.500 0.019 0.000 0.716 84 K HN 0.359 nan 8.250 nan 0.000 0.439 85 I N 1.470 122.119 120.570 0.132 0.000 2.194 85 I HA -0.270 3.900 4.170 -0.000 0.000 0.246 85 I C 1.931 178.273 176.117 0.375 0.000 1.093 85 I CA 1.339 62.746 61.300 0.178 0.000 1.355 85 I CB -0.145 38.038 38.000 0.306 0.000 1.046 85 I HN -0.073 nan 8.210 nan 0.000 0.413 86 V N -0.072 120.067 119.914 0.374 0.000 2.255 86 V HA -0.300 3.820 4.120 -0.000 0.000 0.247 86 V C 2.540 178.806 176.094 0.287 0.000 1.051 86 V CA 1.980 64.502 62.300 0.370 0.000 1.018 86 V CB -0.870 31.081 31.823 0.213 0.000 0.641 86 V HN 0.343 nan 8.190 nan 0.000 0.445 87 V N -0.764 119.264 119.914 0.191 0.000 2.453 87 V HA -0.334 3.786 4.120 -0.000 0.000 0.252 87 V C 2.125 178.291 176.094 0.120 0.000 1.068 87 V CA 2.520 64.898 62.300 0.130 0.000 1.070 87 V CB -0.953 30.929 31.823 0.098 0.000 0.664 87 V HN 0.679 nan 8.190 nan 0.000 0.461 88 Y N 0.202 120.513 120.300 0.018 0.000 2.070 88 Y HA -0.286 4.263 4.550 -0.000 0.000 0.279 88 Y C 2.451 178.305 175.900 -0.077 0.000 1.134 88 Y CA 1.859 59.902 58.100 -0.095 0.000 1.113 88 Y CB -0.621 37.688 38.460 -0.253 0.000 0.981 88 Y HN 0.266 nan 8.280 nan 0.000 0.487 89 Y N -0.135 120.293 120.300 0.213 0.000 2.069 89 Y HA -0.348 4.202 4.550 -0.000 0.000 0.278 89 Y C 2.231 178.114 175.900 -0.028 0.000 1.175 89 Y CA 1.680 59.839 58.100 0.098 0.000 1.134 89 Y CB -1.117 37.437 38.460 0.157 0.000 0.965 89 Y HN 0.147 nan 8.280 nan 0.000 0.498 90 L N -0.322 120.996 121.223 0.159 0.000 1.970 90 L HA -0.256 4.084 4.340 -0.000 0.000 0.212 90 L C 2.384 179.264 176.870 0.018 0.000 1.071 90 L CA 1.688 56.578 54.840 0.083 0.000 0.751 90 L CB -1.480 40.627 42.059 0.080 0.000 0.889 90 L HN 0.221 nan 8.230 nan 0.000 0.432 91 L N -0.771 120.430 121.223 -0.037 0.000 2.129 91 L HA -0.252 4.088 4.340 -0.000 0.000 0.212 91 L C 2.648 179.449 176.870 -0.116 0.000 1.087 91 L CA 1.817 56.616 54.840 -0.068 0.000 0.757 91 L CB -1.275 40.724 42.059 -0.101 0.000 0.896 91 L HN 0.588 nan 8.230 nan 0.000 0.434 92 T N -4.411 109.982 114.554 -0.267 0.000 2.737 92 T HA -0.117 4.233 4.350 -0.000 0.000 0.265 92 T C 2.003 176.684 174.700 -0.031 0.000 1.038 92 T CA 1.425 63.354 62.100 -0.285 0.000 1.144 92 T CB -0.358 68.218 68.868 -0.486 0.000 0.866 92 T HN 0.199 nan 8.240 nan 0.000 0.434 93 S N 1.827 117.538 115.700 0.018 0.000 2.387 93 S HA 0.255 4.725 4.470 -0.000 0.000 0.226 93 S C 2.637 177.287 174.600 0.083 0.000 1.026 93 S CA 0.735 58.983 58.200 0.081 0.000 0.972 93 S CB -0.771 62.489 63.200 0.100 0.000 0.814 93 S HN 0.750 nan 8.310 nan 0.000 0.477 94 A N 0.716 123.582 122.820 0.077 0.000 1.940 94 A HA -0.079 4.241 4.320 -0.000 0.000 0.219 94 A C 1.878 179.522 177.584 0.100 0.000 1.176 94 A CA 1.359 53.444 52.037 0.081 0.000 0.631 94 A CB -0.691 18.354 19.000 0.075 0.000 0.814 94 A HN 0.533 nan 8.150 nan 0.000 0.446 95 F N 0.309 120.244 119.950 -0.025 0.000 2.335 95 F HA 0.218 4.745 4.527 -0.000 0.000 0.296 95 F C 2.432 178.232 175.800 -0.001 0.000 1.091 95 F CA 0.718 58.704 58.000 -0.023 0.000 1.399 95 F CB -0.222 38.742 39.000 -0.061 0.000 1.067 95 F HN 0.241 nan 8.300 nan 0.000 0.520 96 A N -0.043 122.858 122.820 0.136 0.000 1.917 96 A HA -0.230 4.090 4.320 -0.000 0.000 0.219 96 A C 2.340 179.916 177.584 -0.015 0.000 1.182 96 A CA 2.162 54.251 52.037 0.086 0.000 0.633 96 A CB -1.534 17.540 19.000 0.124 0.000 0.819 96 A HN 0.374 nan 8.150 nan 0.000 0.448 97 V N -0.576 119.333 119.914 -0.008 0.000 2.323 97 V HA -0.164 3.956 4.120 -0.000 0.000 0.244 97 V C 2.447 178.498 176.094 -0.072 0.000 1.041 97 V CA 2.972 65.272 62.300 -0.000 0.000 1.025 97 V CB -0.989 30.858 31.823 0.041 0.000 0.656 97 V HN 0.604 nan 8.190 nan 0.000 0.451 98 T N 0.964 115.423 114.554 -0.158 0.000 2.760 98 T HA -0.248 4.102 4.350 -0.000 0.000 0.269 98 T C 1.771 176.274 174.700 -0.329 0.000 1.047 98 T CA 2.250 64.207 62.100 -0.237 0.000 1.139 98 T CB -0.409 68.255 68.868 -0.339 0.000 0.855 98 T HN 0.528 nan 8.240 nan 0.000 0.471 99 L N 0.371 121.331 121.223 -0.438 0.000 2.095 99 L HA 0.118 4.458 4.340 -0.000 0.000 0.204 99 L C 2.690 179.485 176.870 -0.125 0.000 1.080 99 L CA 1.297 55.939 54.840 -0.330 0.000 0.759 99 L CB -0.811 41.066 42.059 -0.303 0.000 0.914 99 L HN 0.344 nan 8.230 nan 0.000 0.439 100 G N 0.522 109.279 108.800 -0.071 0.000 2.440 100 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.218 100 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.218 100 G C 1.347 176.236 174.900 -0.018 0.000 1.154 100 G CA 1.116 46.212 45.100 -0.006 0.000 0.767 100 G HN 0.367 nan 8.290 nan 0.000 0.552 101 I N 1.121 121.669 120.570 -0.036 0.000 2.361 101 I HA -0.073 4.097 4.170 -0.000 0.000 0.251 101 I C 2.558 178.523 176.117 -0.253 0.000 1.133 101 I CA 0.545 61.756 61.300 -0.149 0.000 1.413 101 I CB -0.308 37.672 38.000 -0.032 0.000 1.073 101 I HN 0.177 nan 8.210 nan 0.000 0.424 102 I N -0.607 119.878 120.570 -0.142 0.000 2.546 102 I HA -0.227 3.943 4.170 -0.000 0.000 0.255 102 I C 2.195 178.284 176.117 -0.046 0.000 1.163 102 I CA 0.866 62.102 61.300 -0.107 0.000 1.457 102 I CB -0.294 37.659 38.000 -0.079 0.000 1.092 102 I HN 0.186 nan 8.210 nan 0.000 0.434 103 M N 0.403 120.007 119.600 0.008 0.000 2.236 103 M HA -0.014 4.466 4.480 -0.000 0.000 0.266 103 M C 2.629 179.029 176.300 0.167 0.000 1.070 103 M CA 1.401 56.801 55.300 0.166 0.000 1.137 103 M CB -1.269 31.411 32.600 0.134 0.000 1.378 103 M HN 0.234 nan 8.290 nan 0.000 0.426 104 A N 0.559 123.361 122.820 -0.029 0.000 1.972 104 A HA -0.152 4.168 4.320 -0.000 0.000 0.219 104 A C 2.330 179.821 177.584 -0.155 0.000 1.169 104 A CA 1.233 53.208 52.037 -0.104 0.000 0.635 104 A CB -0.355 18.410 19.000 -0.391 0.000 0.810 104 A HN 0.300 nan 8.150 nan 0.000 0.446 105 R N -0.145 120.223 120.500 -0.220 0.000 2.070 105 R HA -0.134 4.206 4.340 -0.000 0.000 0.227 105 R C 2.213 178.459 176.300 -0.089 0.000 1.147 105 R CA 1.695 57.692 56.100 -0.170 0.000 0.924 105 R CB -1.608 28.590 30.300 -0.169 0.000 0.827 105 R HN 0.653 nan 8.270 nan 0.000 0.431 106 L N -0.798 120.369 121.223 -0.093 0.000 2.013 106 L HA -0.018 4.322 4.340 -0.000 0.000 0.212 106 L C 0.824 177.546 176.870 -0.247 0.000 1.073 106 L CA 1.231 55.949 54.840 -0.204 0.000 0.753 106 L CB -1.308 40.567 42.059 -0.306 0.000 0.890 106 L HN -0.113 nan 8.230 nan 0.000 0.432 107 F N 1.155 121.093 119.950 -0.020 0.000 2.411 107 F HA 0.367 4.894 4.527 -0.000 0.000 0.350 107 F C 0.762 176.565 175.800 0.004 0.000 1.114 107 F CA -0.479 57.525 58.000 0.007 0.000 1.135 107 F CB 0.204 39.221 39.000 0.029 0.000 1.120 107 F HN 0.045 nan 8.300 nan 0.000 0.495 108 N N 4.647 123.452 118.700 0.176 0.000 3.170 108 N HA 0.210 4.949 4.740 -0.000 0.000 0.305 108 N C -2.680 172.898 175.510 0.114 0.000 1.499 108 N CA -1.536 51.582 53.050 0.113 0.000 1.110 108 N CB 0.329 38.854 38.487 0.064 0.000 1.390 108 N HN 0.202 nan 8.380 nan 0.000 0.508 109 P HA -0.007 nan 4.420 nan 0.000 0.263 109 P C 1.074 178.330 177.300 -0.074 0.000 1.195 109 P CA 0.984 64.198 63.100 0.189 0.000 0.762 109 P CB 0.844 32.771 31.700 0.379 0.000 0.799 110 G N 3.289 111.934 108.800 -0.258 0.000 3.586 110 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.212 110 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.212 110 G C 0.437 175.211 174.900 -0.210 0.000 1.411 110 G CA -0.075 44.698 45.100 -0.544 0.000 0.898 110 G HN 0.805 nan 8.290 nan 0.000 0.575 111 A N 1.207 123.964 122.820 -0.105 0.000 2.547 111 A HA 0.493 4.813 4.320 -0.000 0.000 0.269 111 A C 2.221 179.829 177.584 0.041 0.000 1.041 111 A CA 2.524 54.555 52.037 -0.011 0.000 0.855 111 A CB -0.926 18.083 19.000 0.015 0.000 0.934 111 A HN 2.763 nan 8.150 nan 0.000 0.521 112 G N 1.735 110.628 108.800 0.155 0.000 2.278 112 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.210 112 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.210 112 G C 0.904 175.708 174.900 -0.161 0.000 1.000 112 G CA 0.322 45.508 45.100 0.144 0.000 0.635 112 G HN 1.229 nan 8.290 nan 0.000 0.495 113 I N 3.340 123.818 120.570 -0.154 0.000 3.419 113 I HA 0.124 4.294 4.170 -0.000 0.000 0.286 113 I C 1.489 177.432 176.117 -0.290 0.000 1.268 113 I CA 0.305 61.468 61.300 -0.229 0.000 1.414 113 I CB -0.402 37.481 38.000 -0.197 0.000 1.074 113 I HN 0.487 nan 8.210 nan 0.000 0.457 114 H N 2.990 122.006 119.070 -0.091 0.000 3.157 114 H HA -0.127 4.429 4.556 -0.000 0.000 0.279 114 H C -0.675 174.630 175.328 -0.039 0.000 0.880 114 H CA 0.754 56.760 56.048 -0.070 0.000 1.394 114 H CB -0.433 29.296 29.762 -0.054 0.000 1.247 114 H HN 0.415 nan 8.280 nan 0.000 0.553 115 L N -0.279 120.974 121.223 0.050 0.000 2.350 115 L HA 0.804 5.144 4.340 -0.000 0.000 0.260 115 L C -0.032 176.879 176.870 0.068 0.000 1.015 115 L CA -0.919 53.943 54.840 0.036 0.000 0.821 115 L CB 2.301 44.371 42.059 0.017 0.000 1.370 115 L HN 0.570 nan 8.230 nan 0.000 0.416 116 A N 1.543 124.402 122.820 0.064 0.000 2.609 116 A HA 0.567 4.887 4.320 -0.000 0.000 0.286 116 A C 1.052 178.673 177.584 0.063 0.000 1.138 116 A CA 0.293 52.372 52.037 0.069 0.000 0.960 116 A CB -0.405 18.632 19.000 0.062 0.000 1.208 116 A HN 1.603 nan 8.150 nan 0.000 0.541 117 V N -1.893 118.059 119.914 0.064 0.000 0.689 117 V HA -0.446 3.674 4.120 -0.000 0.000 0.092 117 V C 1.958 178.081 176.094 0.050 0.000 0.809 117 V CA 2.269 64.611 62.300 0.070 0.000 3.104 117 V CB -1.920 29.954 31.823 0.085 0.000 0.207 117 V HN 1.296 nan 8.190 nan 0.000 0.125 118 G N 0.559 109.390 108.800 0.051 0.000 2.564 118 G HA2 0.397 4.357 3.960 -0.000 0.000 0.216 118 G HA3 0.397 4.357 3.960 -0.000 0.000 0.216 118 G C 1.739 176.657 174.900 0.029 0.000 1.124 118 G CA 1.744 46.866 45.100 0.037 0.000 0.764 118 G HN 2.652 nan 8.290 nan 0.000 0.550 119 G N -1.857 106.962 108.800 0.032 0.000 2.211 119 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.201 119 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.201 119 G C 0.164 175.081 174.900 0.029 0.000 0.997 119 G CA 0.052 45.168 45.100 0.027 0.000 0.652 119 G HN 0.606 nan 8.290 nan 0.000 0.500 120 Q N 0.211 120.032 119.800 0.034 0.000 2.257 120 Q HA 0.638 4.978 4.340 -0.000 0.000 0.262 120 Q C -0.081 175.948 176.000 0.049 0.000 0.997 120 Q CA -0.577 55.244 55.803 0.031 0.000 0.873 120 Q CB 1.892 30.644 28.738 0.023 0.000 1.312 120 Q HN 0.414 nan 8.270 nan 0.000 0.450 121 Q N 1.109 120.934 119.800 0.042 0.000 2.180 121 Q HA 0.376 4.716 4.340 -0.000 0.000 0.241 121 Q C -1.393 174.662 176.000 0.091 0.000 0.970 121 Q CA -0.623 55.224 55.803 0.073 0.000 0.919 121 Q CB 0.916 29.686 28.738 0.053 0.000 1.222 121 Q HN 0.589 nan 8.270 nan 0.000 0.482 122 F N 1.289 121.225 119.950 -0.023 0.000 2.384 122 F HA 0.312 4.838 4.527 -0.000 0.000 0.338 122 F C -0.862 174.906 175.800 -0.053 0.000 1.103 122 F CA 0.049 58.026 58.000 -0.038 0.000 1.157 122 F CB 0.958 39.939 39.000 -0.032 0.000 1.167 122 F HN 0.454 nan 8.300 nan 0.000 0.529 123 Q N 7.141 126.313 119.800 -1.047 0.000 2.280 123 Q HA 0.293 4.633 4.340 -0.000 0.000 0.259 123 Q C -2.516 172.875 176.000 -1.015 0.000 0.964 123 Q CA -1.980 53.377 55.803 -0.743 0.000 0.844 123 Q CB 2.091 30.610 28.738 -0.365 0.000 1.334 123 Q HN 0.451 nan 8.270 nan 0.000 0.423 124 P HA 0.119 nan 4.420 nan 0.000 0.274 124 P C -0.945 176.157 177.300 -0.330 0.000 1.237 124 P CA -0.210 62.648 63.100 -0.403 0.000 0.793 124 P CB 0.765 32.446 31.700 -0.032 0.000 0.977 125 H N -0.533 118.479 119.070 -0.096 0.000 2.610 125 H HA 0.134 4.690 4.556 -0.000 0.000 0.336 125 H C 0.611 175.919 175.328 -0.033 0.000 1.087 125 H CA -0.232 55.778 56.048 -0.064 0.000 1.405 125 H CB 0.358 30.094 29.762 -0.044 0.000 1.460 125 H HN 0.371 nan 8.280 nan 0.000 0.538 126 Q N 1.795 121.638 119.800 0.072 0.000 2.315 126 Q HA 0.266 4.606 4.340 -0.000 0.000 0.289 126 Q C -0.439 175.593 176.000 0.054 0.000 1.044 126 Q CA -0.468 55.361 55.803 0.043 0.000 0.920 126 Q CB 0.642 29.394 28.738 0.024 0.000 1.214 126 Q HN 0.679 nan 8.270 nan 0.000 0.392 127 A N 4.302 127.149 122.820 0.046 0.000 2.440 127 A HA 0.421 4.741 4.320 -0.000 0.000 0.251 127 A C -1.935 175.670 177.584 0.035 0.000 1.089 127 A CA -1.258 50.805 52.037 0.044 0.000 0.779 127 A CB -0.313 18.715 19.000 0.046 0.000 1.022 127 A HN 0.720 nan 8.150 nan 0.000 0.492 128 P HA 0.253 nan 4.420 nan 0.000 0.271 128 P C -2.492 174.847 177.300 0.066 0.000 1.238 128 P CA -0.864 62.251 63.100 0.025 0.000 0.794 128 P CB -0.571 31.137 31.700 0.015 0.000 0.959 129 P HA -0.065 nan 4.420 nan 0.000 0.264 129 P C 0.964 178.328 177.300 0.107 0.000 1.183 129 P CA -0.051 63.119 63.100 0.118 0.000 0.763 129 P CB 0.191 32.009 31.700 0.196 0.000 0.807 130 L N 5.581 126.840 121.223 0.060 0.000 2.054 130 L HA -0.275 4.065 4.340 -0.000 0.000 0.220 130 L C 1.974 178.857 176.870 0.022 0.000 1.081 130 L CA 2.044 56.907 54.840 0.039 0.000 0.780 130 L CB -1.145 40.929 42.059 0.024 0.000 0.893 130 L HN 0.213 nan 8.230 nan 0.000 0.438 131 V N -0.232 119.679 119.914 -0.004 0.000 2.231 131 V HA -0.414 3.706 4.120 -0.000 0.000 0.250 131 V C 2.540 178.558 176.094 -0.126 0.000 1.058 131 V CA 2.359 64.603 62.300 -0.094 0.000 1.022 131 V CB -1.105 30.610 31.823 -0.181 0.000 0.640 131 V HN 0.609 nan 8.190 nan 0.000 0.445 132 H N -1.236 117.828 119.070 -0.009 0.000 2.421 132 H HA -0.123 4.433 4.556 -0.000 0.000 0.298 132 H C 2.277 177.595 175.328 -0.017 0.000 1.087 132 H CA 1.927 57.966 56.048 -0.015 0.000 1.330 132 H CB -0.129 29.626 29.762 -0.013 0.000 1.388 132 H HN 0.420 nan 8.280 nan 0.000 0.526 133 I N 1.323 121.952 120.570 0.097 0.000 2.286 133 I HA -0.229 3.941 4.170 -0.000 0.000 0.248 133 I C 2.186 178.314 176.117 0.018 0.000 1.115 133 I CA 1.108 62.440 61.300 0.053 0.000 1.392 133 I CB -0.423 37.605 38.000 0.047 0.000 1.065 133 I HN 0.078 nan 8.210 nan 0.000 0.418 134 L N -0.768 120.454 121.223 -0.001 0.000 2.023 134 L HA -0.140 4.200 4.340 -0.000 0.000 0.205 134 L C 2.477 179.311 176.870 -0.060 0.000 1.073 134 L CA 1.116 55.941 54.840 -0.025 0.000 0.745 134 L CB -0.742 41.302 42.059 -0.025 0.000 0.900 134 L HN 0.197 nan 8.230 nan 0.000 0.435 135 L N -0.156 121.026 121.223 -0.068 0.000 2.191 135 L HA -0.215 4.124 4.340 -0.000 0.000 0.212 135 L C 1.956 178.775 176.870 -0.086 0.000 1.103 135 L CA 0.844 55.631 54.840 -0.088 0.000 0.769 135 L CB -0.697 41.306 42.059 -0.092 0.000 0.908 135 L HN 0.299 nan 8.230 nan 0.000 0.438 136 D N 0.432 120.807 120.400 -0.042 0.000 2.264 136 D HA -0.143 4.497 4.640 -0.000 0.000 0.208 136 D C 2.164 178.416 176.300 -0.080 0.000 0.966 136 D CA 1.059 55.038 54.000 -0.035 0.000 0.864 136 D CB -0.145 40.660 40.800 0.009 0.000 0.933 136 D HN 0.534 nan 8.370 nan 0.000 0.499 137 I N -1.756 118.744 120.570 -0.117 0.000 2.454 137 I HA -0.108 4.062 4.170 -0.000 0.000 0.254 137 I C 0.497 176.402 176.117 -0.352 0.000 1.156 137 I CA 0.558 61.766 61.300 -0.154 0.000 1.433 137 I CB -0.358 37.564 38.000 -0.130 0.000 1.082 137 I HN -0.291 nan 8.210 nan 0.000 0.432 138 V N 4.530 124.173 119.914 -0.451 0.000 2.372 138 V HA 0.274 4.394 4.120 -0.000 0.000 0.261 138 V C -2.039 173.938 176.094 -0.195 0.000 1.055 138 V CA -1.342 60.620 62.300 -0.562 0.000 0.930 138 V CB -0.172 31.375 31.823 -0.459 0.000 1.031 138 V HN 0.171 nan 8.190 nan 0.000 0.479 139 P HA 0.042 nan 4.420 nan 0.000 0.266 139 P C 0.884 178.181 177.300 -0.004 0.000 1.195 139 P CA 0.248 63.340 63.100 -0.013 0.000 0.768 139 P CB 0.670 32.383 31.700 0.022 0.000 0.838 140 T N 0.469 115.016 114.554 -0.012 0.000 3.057 140 T HA 0.031 4.380 4.350 -0.000 0.000 0.254 140 T C 0.454 175.158 174.700 0.007 0.000 1.094 140 T CA 0.557 62.659 62.100 0.003 0.000 1.088 140 T CB -0.525 68.343 68.868 0.000 0.000 0.934 140 T HN 0.370 nan 8.240 nan 0.000 0.497 141 N N 0.417 119.107 118.700 -0.016 0.000 2.839 141 N HA 0.308 5.048 4.740 -0.000 0.000 0.230 141 N C -2.535 172.918 175.510 -0.095 0.000 1.388 141 N CA -1.514 51.532 53.050 -0.007 0.000 0.747 141 N CB 1.391 39.896 38.487 0.031 0.000 1.411 141 N HN -0.111 nan 8.380 nan 0.000 0.556 142 P HA -0.221 nan 4.420 nan 0.000 0.224 142 P C 1.125 178.137 177.300 -0.480 0.000 1.153 142 P CA 1.787 64.504 63.100 -0.638 0.000 0.947 142 P CB -0.021 30.840 31.700 -1.398 0.000 0.790 143 F N -0.794 118.983 119.950 -0.288 0.000 2.087 143 F HA -0.203 4.324 4.527 -0.000 0.000 0.299 143 F C 2.660 178.360 175.800 -0.166 0.000 1.100 143 F CA 1.974 59.846 58.000 -0.212 0.000 1.226 143 F CB -1.740 37.168 39.000 -0.153 0.000 0.983 143 F HN -0.020 nan 8.300 nan 0.000 0.479 144 G N -0.492 108.343 108.800 0.059 0.000 2.484 144 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.215 144 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.215 144 G C 1.911 176.785 174.900 -0.044 0.000 1.219 144 G CA 1.138 46.238 45.100 0.001 0.000 0.791 144 G HN 0.486 nan 8.290 nan 0.000 0.550 145 A N 0.339 123.122 122.820 -0.062 0.000 1.929 145 A HA -0.157 4.163 4.320 -0.000 0.000 0.221 145 A C 2.420 179.959 177.584 -0.075 0.000 1.211 145 A CA 2.232 54.232 52.037 -0.062 0.000 0.657 145 A CB -0.620 18.343 19.000 -0.062 0.000 0.827 145 A HN 0.548 nan 8.150 nan 0.000 0.462 146 L N -0.702 120.450 121.223 -0.118 0.000 2.044 146 L HA 0.059 4.399 4.340 -0.000 0.000 0.205 146 L C 2.749 179.550 176.870 -0.115 0.000 1.075 146 L CA 2.203 56.960 54.840 -0.138 0.000 0.747 146 L CB -1.103 40.801 42.059 -0.258 0.000 0.903 146 L HN 0.387 nan 8.230 nan 0.000 0.435 147 A N 0.590 123.356 122.820 -0.091 0.000 1.896 147 A HA -0.255 4.065 4.320 -0.000 0.000 0.220 147 A C 0.951 178.495 177.584 -0.066 0.000 1.206 147 A CA 2.111 54.109 52.037 -0.065 0.000 0.647 147 A CB -1.296 17.684 19.000 -0.033 0.000 0.828 147 A HN 0.751 nan 8.150 nan 0.000 0.455 148 N N -0.678 117.986 118.700 -0.061 0.000 2.800 148 N HA 0.442 5.181 4.740 -0.000 0.000 0.240 148 N C 0.608 176.076 175.510 -0.069 0.000 1.096 148 N CA 0.324 53.338 53.050 -0.059 0.000 0.877 148 N CB -0.125 38.335 38.487 -0.046 0.000 1.138 148 N HN 0.821 nan 8.380 nan 0.000 0.509 149 G N 1.932 110.675 108.800 -0.095 0.000 2.602 149 G HA2 -0.391 3.569 3.960 -0.000 0.000 0.317 149 G HA3 -0.391 3.569 3.960 -0.000 0.000 0.317 149 G C -0.271 174.571 174.900 -0.097 0.000 1.327 149 G CA 0.806 45.825 45.100 -0.134 0.000 0.971 149 G HN 1.183 nan 8.290 nan 0.000 0.540 150 Q N -2.028 117.723 119.800 -0.081 0.000 2.418 150 Q HA -0.126 4.214 4.340 -0.000 0.000 0.340 150 Q C 1.024 177.013 176.000 -0.019 0.000 1.428 150 Q CA 0.581 56.364 55.803 -0.032 0.000 0.874 150 Q CB -1.252 27.469 28.738 -0.028 0.000 1.094 150 Q HN 1.172 nan 8.270 nan 0.000 0.334 151 V N 2.839 122.746 119.914 -0.012 0.000 2.244 151 V HA -0.313 3.806 4.120 -0.000 0.000 0.235 151 V C 2.094 178.231 176.094 0.071 0.000 1.026 151 V CA 1.968 64.282 62.300 0.025 0.000 0.990 151 V CB -0.712 31.137 31.823 0.043 0.000 0.640 151 V HN 0.687 nan 8.190 nan 0.000 0.463 152 L N 0.067 121.340 121.223 0.083 0.000 2.169 152 L HA -0.278 4.062 4.340 -0.000 0.000 0.244 152 L C 0.094 177.046 176.870 0.137 0.000 1.122 152 L CA 3.170 58.072 54.840 0.104 0.000 0.848 152 L CB -2.925 39.182 42.059 0.079 0.000 0.953 152 L HN 0.304 nan 8.230 nan 0.000 0.447 153 P HA -0.221 nan 4.420 nan 0.000 0.219 153 P C 1.728 179.156 177.300 0.214 0.000 1.158 153 P CA 2.419 65.584 63.100 0.108 0.000 0.895 153 P CB -0.299 31.425 31.700 0.040 0.000 0.792 154 T N -0.656 113.996 114.554 0.163 0.000 2.595 154 T HA -0.174 4.176 4.350 -0.000 0.000 0.264 154 T C 1.676 176.541 174.700 0.275 0.000 1.058 154 T CA 1.652 63.883 62.100 0.219 0.000 1.166 154 T CB -1.060 67.900 68.868 0.155 0.000 0.863 154 T HN -0.079 nan 8.240 nan 0.000 0.415 155 I N 1.126 121.816 120.570 0.199 0.000 2.094 155 I HA -0.230 3.940 4.170 -0.000 0.000 0.236 155 I C 1.968 178.188 176.117 0.172 0.000 1.016 155 I CA 1.460 62.852 61.300 0.154 0.000 1.294 155 I CB -1.151 36.928 38.000 0.132 0.000 1.006 155 I HN 0.192 nan 8.210 nan 0.000 0.397 156 F N 0.493 120.495 119.950 0.087 0.000 2.063 156 F HA -0.394 4.133 4.527 -0.000 0.000 0.297 156 F C 2.474 178.334 175.800 0.099 0.000 1.099 156 F CA 2.180 60.228 58.000 0.081 0.000 1.220 156 F CB -0.678 38.376 39.000 0.089 0.000 0.972 156 F HN 0.096 nan 8.300 nan 0.000 0.487 157 F N 0.595 120.674 119.950 0.215 0.000 2.171 157 F HA -0.095 4.432 4.527 -0.000 0.000 0.300 157 F C 2.286 178.048 175.800 -0.063 0.000 1.090 157 F CA 1.457 59.509 58.000 0.087 0.000 1.293 157 F CB -0.907 38.200 39.000 0.180 0.000 1.013 157 F HN 0.049 nan 8.300 nan 0.000 0.486 158 A N 0.572 123.414 122.820 0.035 0.000 1.883 158 A HA -0.179 4.141 4.320 -0.000 0.000 0.217 158 A C 2.034 179.423 177.584 -0.324 0.000 1.186 158 A CA 2.131 54.020 52.037 -0.247 0.000 0.624 158 A CB -1.135 17.715 19.000 -0.251 0.000 0.822 158 A HN 0.378 nan 8.150 nan 0.000 0.444 159 I N -0.225 120.188 120.570 -0.262 0.000 2.163 159 I HA -0.227 3.943 4.170 -0.000 0.000 0.243 159 I C 2.078 178.002 176.117 -0.322 0.000 1.085 159 I CA 1.136 62.281 61.300 -0.258 0.000 1.347 159 I CB -0.605 37.261 38.000 -0.223 0.000 1.044 159 I HN 0.224 nan 8.210 nan 0.000 0.408 160 I N -0.580 119.711 120.570 -0.465 0.000 2.394 160 I HA -0.219 3.951 4.170 -0.000 0.000 0.251 160 I C 2.238 178.105 176.117 -0.417 0.000 1.136 160 I CA 1.097 62.122 61.300 -0.459 0.000 1.425 160 I CB -0.728 36.929 38.000 -0.571 0.000 1.079 160 I HN 0.174 nan 8.210 nan 0.000 0.425 161 L N 0.608 121.508 121.223 -0.538 0.000 2.023 161 L HA 0.063 4.403 4.340 -0.000 0.000 0.205 161 L C 2.432 179.143 176.870 -0.265 0.000 1.073 161 L CA 2.143 56.706 54.840 -0.461 0.000 0.745 161 L CB -1.502 40.238 42.059 -0.531 0.000 0.900 161 L HN 0.231 nan 8.230 nan 0.000 0.435 162 G N 0.178 108.822 108.800 -0.260 0.000 2.514 162 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.217 162 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.217 162 G C 1.641 176.471 174.900 -0.117 0.000 1.198 162 G CA 1.389 46.382 45.100 -0.178 0.000 0.780 162 G HN 0.483 nan 8.290 nan 0.000 0.565 163 I N 1.547 122.053 120.570 -0.107 0.000 2.423 163 I HA -0.213 3.957 4.170 -0.000 0.000 0.254 163 I C 3.196 179.365 176.117 0.087 0.000 1.151 163 I CA 0.894 62.185 61.300 -0.014 0.000 1.421 163 I CB -0.203 37.795 38.000 -0.003 0.000 1.079 163 I HN 0.277 nan 8.210 nan 0.000 0.431 164 A N 1.157 123.977 122.820 0.000 0.000 1.897 164 A HA -0.096 4.224 4.320 -0.000 0.000 0.215 164 A C 2.277 179.897 177.584 0.060 0.000 1.181 164 A CA 1.048 53.109 52.037 0.041 0.000 0.620 164 A CB -0.617 18.344 19.000 -0.065 0.000 0.821 164 A HN 0.338 nan 8.150 nan 0.000 0.443 165 I N 0.794 121.356 120.570 -0.012 0.000 2.194 165 I HA -0.302 3.868 4.170 -0.000 0.000 0.246 165 I C 2.902 179.009 176.117 -0.016 0.000 1.093 165 I CA 1.928 63.218 61.300 -0.017 0.000 1.355 165 I CB -0.941 37.032 38.000 -0.045 0.000 1.046 165 I HN 0.572 nan 8.210 nan 0.000 0.413 166 T N -0.603 113.921 114.554 -0.051 0.000 2.635 166 T HA -0.294 4.056 4.350 -0.000 0.000 0.267 166 T C 1.791 176.392 174.700 -0.165 0.000 1.040 166 T CA 1.649 63.661 62.100 -0.147 0.000 1.156 166 T CB -1.180 67.532 68.868 -0.260 0.000 0.863 166 T HN 0.335 nan 8.240 nan 0.000 0.430 167 Y N 1.807 122.086 120.300 -0.036 0.000 2.556 167 Y HA 0.166 4.716 4.550 -0.000 0.000 0.290 167 Y C 2.288 178.175 175.900 -0.021 0.000 1.149 167 Y CA 0.425 58.509 58.100 -0.027 0.000 1.329 167 Y CB -0.640 37.803 38.460 -0.029 0.000 0.975 167 Y HN 0.229 nan 8.280 nan 0.000 0.561 168 L N -1.248 120.027 121.223 0.087 0.000 2.270 168 L HA -0.092 4.248 4.340 -0.000 0.000 0.210 168 L C 1.926 178.809 176.870 0.021 0.000 1.104 168 L CA 0.646 55.517 54.840 0.051 0.000 0.804 168 L CB -0.346 41.734 42.059 0.034 0.000 0.937 168 L HN 0.290 nan 8.230 nan 0.000 0.450 169 M N -0.245 119.351 119.600 -0.007 0.000 2.557 169 M HA -0.065 4.415 4.480 -0.000 0.000 0.259 169 M C 0.878 177.165 176.300 -0.021 0.000 1.086 169 M CA 1.006 56.292 55.300 -0.023 0.000 1.096 169 M CB -0.210 32.363 32.600 -0.045 0.000 1.424 169 M HN 0.221 nan 8.290 nan 0.000 0.488 170 N N -0.196 118.496 118.700 -0.013 0.000 2.236 170 N HA 0.048 4.788 4.740 -0.000 0.000 0.196 170 N C 0.232 175.754 175.510 0.020 0.000 1.114 170 N CA 0.101 53.149 53.050 -0.003 0.000 0.859 170 N CB 0.309 38.793 38.487 -0.005 0.000 0.982 170 N HN 0.042 nan 8.380 nan 0.000 0.493 171 S N 1.231 116.946 115.700 0.025 0.000 2.525 171 S HA -0.004 4.466 4.470 -0.000 0.000 0.285 171 S C 1.314 175.924 174.600 0.017 0.000 1.283 171 S CA -0.338 57.879 58.200 0.027 0.000 1.072 171 S CB 0.620 63.837 63.200 0.027 0.000 0.867 171 S HN 0.079 nan 8.310 nan 0.000 0.492 172 E N 3.383 123.593 120.200 0.017 0.000 2.065 172 E HA -0.188 4.162 4.350 -0.000 0.000 0.201 172 E C 0.812 177.418 176.600 0.010 0.000 1.016 172 E CA 0.909 57.316 56.400 0.012 0.000 0.818 172 E CB -0.645 29.062 29.700 0.012 0.000 0.749 172 E HN 0.753 nan 8.360 nan 0.000 0.453 173 N N 1.490 120.196 118.700 0.011 0.000 2.412 173 N HA -0.121 4.619 4.740 -0.000 0.000 0.254 173 N C 0.756 176.271 175.510 0.009 0.000 1.232 173 N CA 0.350 53.406 53.050 0.010 0.000 0.880 173 N CB 1.122 39.617 38.487 0.012 0.000 1.076 173 N HN -0.077 nan 8.380 nan 0.000 0.458 174 E N 3.328 123.532 120.200 0.007 0.000 2.122 174 E HA -0.048 4.302 4.350 -0.000 0.000 0.190 174 E C 1.480 178.084 176.600 0.007 0.000 0.977 174 E CA 1.201 57.605 56.400 0.006 0.000 0.820 174 E CB -0.050 29.652 29.700 0.004 0.000 0.770 174 E HN 0.700 nan 8.360 nan 0.000 0.462 175 K N -0.065 120.340 120.400 0.008 0.000 2.026 175 K HA -0.122 4.198 4.320 -0.000 0.000 0.208 175 K C 1.893 178.500 176.600 0.012 0.000 1.048 175 K CA 1.631 57.924 56.287 0.010 0.000 0.929 175 K CB -0.126 32.381 32.500 0.011 0.000 0.713 175 K HN 0.064 nan 8.250 nan 0.000 0.439 176 V N 1.085 121.007 119.914 0.013 0.000 2.237 176 V HA -0.294 3.826 4.120 -0.000 0.000 0.245 176 V C 2.981 179.083 176.094 0.013 0.000 1.046 176 V CA 2.590 64.899 62.300 0.016 0.000 1.007 176 V CB -1.204 30.630 31.823 0.018 0.000 0.638 176 V HN 0.564 nan 8.190 nan 0.000 0.445 177 R N 0.391 120.897 120.500 0.010 0.000 2.117 177 R HA -0.237 4.103 4.340 -0.000 0.000 0.243 177 R C 2.236 178.538 176.300 0.003 0.000 1.143 177 R CA 2.143 58.246 56.100 0.005 0.000 0.968 177 R CB -0.979 29.323 30.300 0.003 0.000 0.863 177 R HN 0.519 nan 8.270 nan 0.000 0.444 178 K N 0.360 120.763 120.400 0.005 0.000 2.076 178 K HA 0.035 4.355 4.320 -0.000 0.000 0.204 178 K C 2.237 178.842 176.600 0.008 0.000 1.051 178 K CA 1.640 57.930 56.287 0.005 0.000 0.949 178 K CB -0.380 32.123 32.500 0.005 0.000 0.726 178 K HN 0.446 nan 8.250 nan 0.000 0.443 179 S N 1.295 117.002 115.700 0.012 0.000 2.353 179 S HA -0.173 4.297 4.470 -0.000 0.000 0.222 179 S C 2.139 176.749 174.600 0.015 0.000 1.035 179 S CA 1.571 59.781 58.200 0.016 0.000 1.025 179 S CB -0.538 62.674 63.200 0.021 0.000 0.902 179 S HN 0.523 nan 8.310 nan 0.000 0.440 180 A N 1.466 124.293 122.820 0.012 0.000 1.927 180 A HA -0.200 4.120 4.320 -0.000 0.000 0.220 180 A C 2.187 179.772 177.584 0.001 0.000 1.185 180 A CA 2.534 54.576 52.037 0.007 0.000 0.639 180 A CB -1.514 17.488 19.000 0.003 0.000 0.820 180 A HN 0.647 nan 8.150 nan 0.000 0.451 181 E N -0.527 119.673 120.200 -0.001 0.000 2.070 181 E HA -0.235 4.115 4.350 -0.000 0.000 0.197 181 E C 2.178 178.779 176.600 0.001 0.000 1.004 181 E CA 2.757 59.154 56.400 -0.005 0.000 0.805 181 E CB -1.885 27.812 29.700 -0.005 0.000 0.744 181 E HN 0.978 nan 8.360 nan 0.000 0.451 182 T N -0.595 113.964 114.554 0.008 0.000 2.639 182 T HA -0.105 4.245 4.350 -0.000 0.000 0.261 182 T C 2.186 176.897 174.700 0.019 0.000 1.053 182 T CA 1.596 63.703 62.100 0.013 0.000 1.158 182 T CB -0.680 68.197 68.868 0.016 0.000 0.863 182 T HN 0.410 nan 8.240 nan 0.000 0.413 183 L N 0.490 121.728 121.223 0.025 0.000 2.010 183 L HA -0.131 4.209 4.340 -0.000 0.000 0.219 183 L C 2.646 179.533 176.870 0.029 0.000 1.077 183 L CA 2.083 56.945 54.840 0.036 0.000 0.773 183 L CB -0.633 41.451 42.059 0.041 0.000 0.892 183 L HN 0.329 nan 8.230 nan 0.000 0.436 184 L N 0.367 121.597 121.223 0.010 0.000 2.127 184 L HA -0.262 4.077 4.340 -0.000 0.000 0.211 184 L C 2.093 178.963 176.870 -0.000 0.000 1.089 184 L CA 2.256 57.093 54.840 -0.006 0.000 0.757 184 L CB -0.913 41.132 42.059 -0.023 0.000 0.899 184 L HN 0.465 nan 8.230 nan 0.000 0.434 185 D N -0.633 119.771 120.400 0.006 0.000 2.097 185 D HA -0.136 4.504 4.640 -0.000 0.000 0.197 185 D C 2.088 178.401 176.300 0.021 0.000 0.984 185 D CA 1.381 55.386 54.000 0.008 0.000 0.826 185 D CB 0.069 40.873 40.800 0.007 0.000 0.973 185 D HN 0.404 nan 8.370 nan 0.000 0.460 186 A N 0.809 123.647 122.820 0.031 0.000 1.858 186 A HA -0.124 4.195 4.320 -0.000 0.000 0.216 186 A C 2.596 180.215 177.584 0.058 0.000 1.190 186 A CA 1.549 53.613 52.037 0.044 0.000 0.617 186 A CB -0.952 18.078 19.000 0.050 0.000 0.827 186 A HN 0.360 nan 8.150 nan 0.000 0.443 187 I N 0.097 120.708 120.570 0.068 0.000 2.068 187 I HA -0.263 3.907 4.170 -0.000 0.000 0.238 187 I C 1.244 177.401 176.117 0.067 0.000 1.046 187 I CA 1.286 62.640 61.300 0.090 0.000 1.306 187 I CB -0.818 37.217 38.000 0.059 0.000 1.023 187 I HN 0.391 nan 8.210 nan 0.000 0.399 188 N N 0.816 119.538 118.700 0.037 0.000 2.458 188 N HA 0.110 4.850 4.740 -0.000 0.000 0.258 188 N C 0.544 176.084 175.510 0.051 0.000 1.219 188 N CA 1.432 54.505 53.050 0.039 0.000 0.902 188 N CB 1.169 39.662 38.487 0.010 0.000 1.076 188 N HN 0.558 nan 8.380 nan 0.000 0.455 189 G N 2.431 111.274 108.800 0.072 0.000 2.493 189 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.206 189 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.206 189 G C 0.785 175.730 174.900 0.075 0.000 1.109 189 G CA 0.280 45.419 45.100 0.065 0.000 0.689 189 G HN 0.576 nan 8.290 nan 0.000 0.516 190 L N 2.093 123.360 121.223 0.073 0.000 2.017 190 L HA 0.533 4.873 4.340 -0.000 0.000 0.208 190 L C 3.045 179.947 176.870 0.054 0.000 1.073 190 L CA 3.377 58.254 54.840 0.062 0.000 0.745 190 L CB -0.868 41.243 42.059 0.086 0.000 0.894 190 L HN 0.839 nan 8.230 nan 0.000 0.432 191 A N -0.982 121.893 122.820 0.093 0.000 1.897 191 A HA -0.164 4.155 4.320 -0.000 0.000 0.215 191 A C 2.237 180.011 177.584 0.318 0.000 1.181 191 A CA 1.333 53.437 52.037 0.111 0.000 0.620 191 A CB -0.660 18.457 19.000 0.196 0.000 0.821 191 A HN 0.492 nan 8.150 nan 0.000 0.443 192 E N 0.483 120.889 120.200 0.342 0.000 2.153 192 E HA -0.060 4.290 4.350 -0.000 0.000 0.194 192 E C 1.848 178.647 176.600 0.332 0.000 0.988 192 E CA 1.455 58.085 56.400 0.383 0.000 0.811 192 E CB -0.379 29.401 29.700 0.133 0.000 0.746 192 E HN 0.474 nan 8.360 nan 0.000 0.466 193 A N 0.090 123.006 122.820 0.160 0.000 1.970 193 A HA -0.065 4.255 4.320 -0.000 0.000 0.216 193 A C 2.000 179.602 177.584 0.030 0.000 1.170 193 A CA 1.305 53.391 52.037 0.082 0.000 0.645 193 A CB -0.320 18.706 19.000 0.043 0.000 0.816 193 A HN 0.243 nan 8.150 nan 0.000 0.447 194 M N -1.110 118.449 119.600 -0.070 0.000 2.358 194 M HA -0.105 4.375 4.480 -0.000 0.000 0.264 194 M C 1.710 177.852 176.300 -0.264 0.000 1.064 194 M CA 1.117 56.286 55.300 -0.217 0.000 1.093 194 M CB -1.395 30.988 32.600 -0.363 0.000 1.401 194 M HN 0.604 nan 8.290 nan 0.000 0.440 195 Y N 0.616 120.916 120.300 0.000 0.000 2.243 195 Y HA -0.077 4.473 4.550 -0.000 0.000 0.293 195 Y C 2.395 178.295 175.900 -0.000 0.000 1.124 195 Y CA 0.789 58.888 58.100 -0.002 0.000 1.159 195 Y CB -0.507 37.951 38.460 -0.004 0.000 1.008 195 Y HN 0.095 nan 8.280 nan 0.000 0.527 196 K N 0.683 121.171 120.400 0.147 0.000 2.113 196 K HA -0.182 4.138 4.320 -0.000 0.000 0.208 196 K C 1.935 178.564 176.600 0.048 0.000 1.047 196 K CA 1.503 57.840 56.287 0.083 0.000 0.928 196 K CB -0.835 31.700 32.500 0.060 0.000 0.716 196 K HN 0.437 nan 8.250 nan 0.000 0.446 197 I N 0.614 121.194 120.570 0.017 0.000 2.252 197 I HA -0.238 3.932 4.170 -0.000 0.000 0.245 197 I C 2.302 178.414 176.117 -0.008 0.000 1.102 197 I CA 0.793 62.087 61.300 -0.010 0.000 1.385 197 I CB -0.405 37.568 38.000 -0.045 0.000 1.064 197 I HN -0.158 nan 8.210 nan 0.000 0.414 198 V N 1.438 121.349 119.914 -0.004 0.000 2.261 198 V HA -0.283 3.837 4.120 -0.000 0.000 0.246 198 V C 2.188 178.308 176.094 0.043 0.000 1.047 198 V CA 2.134 64.438 62.300 0.007 0.000 1.015 198 V CB -0.947 30.898 31.823 0.037 0.000 0.642 198 V HN 0.440 nan 8.190 nan 0.000 0.446 199 N N 1.098 119.838 118.700 0.067 0.000 2.094 199 N HA -0.149 4.591 4.740 -0.000 0.000 0.191 199 N C 1.847 177.398 175.510 0.069 0.000 1.023 199 N CA 1.765 54.856 53.050 0.070 0.000 0.857 199 N CB -0.964 37.563 38.487 0.067 0.000 1.013 199 N HN 0.527 nan 8.380 nan 0.000 0.426 200 G N 0.805 109.639 108.800 0.057 0.000 2.433 200 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.216 200 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.216 200 G C 1.687 176.639 174.900 0.085 0.000 1.186 200 G CA 1.003 46.139 45.100 0.061 0.000 0.779 200 G HN 0.207 nan 8.290 nan 0.000 0.543 201 V N 1.650 121.597 119.914 0.056 0.000 2.324 201 V HA -0.227 3.893 4.120 -0.000 0.000 0.250 201 V C 2.905 179.114 176.094 0.191 0.000 1.060 201 V CA 1.840 64.179 62.300 0.064 0.000 1.042 201 V CB -0.433 31.355 31.823 -0.058 0.000 0.650 201 V HN 0.295 nan 8.190 nan 0.000 0.450 202 M N -0.395 119.299 119.600 0.156 0.000 2.530 202 M HA -0.163 4.317 4.480 -0.000 0.000 0.261 202 M C 2.070 178.496 176.300 0.210 0.000 1.067 202 M CA 1.322 56.750 55.300 0.213 0.000 1.071 202 M CB -1.193 31.489 32.600 0.137 0.000 1.405 202 M HN 0.443 nan 8.290 nan 0.000 0.478 203 Q N -0.617 119.298 119.800 0.191 0.000 2.378 203 Q HA -0.113 4.227 4.340 -0.000 0.000 0.205 203 Q C 1.501 177.627 176.000 0.210 0.000 0.954 203 Q CA 1.080 56.980 55.803 0.163 0.000 0.901 203 Q CB -0.228 28.588 28.738 0.131 0.000 0.981 203 Q HN 0.571 nan 8.270 nan 0.000 0.483 204 Y N -0.929 119.472 120.300 0.169 0.000 2.478 204 Y HA 0.365 4.915 4.550 -0.000 0.000 0.261 204 Y C 1.719 177.773 175.900 0.256 0.000 1.127 204 Y CA 0.417 58.639 58.100 0.203 0.000 1.288 204 Y CB -0.077 38.528 38.460 0.241 0.000 1.084 204 Y HN 0.147 nan 8.280 nan 0.000 0.530 205 A N 1.999 125.060 122.820 0.400 0.000 1.903 205 A HA -0.228 4.092 4.320 -0.000 0.000 0.219 205 A C -0.086 177.383 177.584 -0.191 0.000 1.191 205 A CA 2.065 54.239 52.037 0.227 0.000 0.638 205 A CB -2.017 17.151 19.000 0.280 0.000 0.823 205 A HN 0.441 nan 8.150 nan 0.000 0.451 206 P HA -0.199 nan 4.420 nan 0.000 0.214 206 P C 1.587 178.745 177.300 -0.237 0.000 1.163 206 P CA 1.511 64.518 63.100 -0.154 0.000 0.889 206 P CB -0.270 31.362 31.700 -0.115 0.000 0.790 207 I N -0.409 119.923 120.570 -0.397 0.000 2.163 207 I HA -0.146 4.024 4.170 -0.000 0.000 0.240 207 I C 2.807 178.700 176.117 -0.374 0.000 1.081 207 I CA 1.812 62.826 61.300 -0.477 0.000 1.353 207 I CB -1.534 35.985 38.000 -0.802 0.000 1.054 207 I HN 0.003 nan 8.210 nan 0.000 0.407 208 G N 0.937 109.404 108.800 -0.555 0.000 2.491 208 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.218 208 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.218 208 G C 1.718 176.355 174.900 -0.437 0.000 1.180 208 G CA 1.198 46.071 45.100 -0.379 0.000 0.774 208 G HN 0.243 nan 8.290 nan 0.000 0.562 209 V N 0.438 120.014 119.914 -0.564 0.000 2.332 209 V HA -0.182 3.938 4.120 -0.000 0.000 0.248 209 V C 2.355 178.369 176.094 -0.134 0.000 1.055 209 V CA 1.950 64.053 62.300 -0.328 0.000 1.038 209 V CB -0.686 30.985 31.823 -0.252 0.000 0.651 209 V HN 0.393 nan 8.190 nan 0.000 0.450 210 F N 1.209 121.032 119.950 -0.212 0.000 2.161 210 F HA -0.179 4.347 4.527 -0.000 0.000 0.300 210 F C 2.193 177.947 175.800 -0.077 0.000 1.089 210 F CA 1.467 59.383 58.000 -0.139 0.000 1.282 210 F CB -0.323 38.579 39.000 -0.163 0.000 1.010 210 F HN 0.084 nan 8.300 nan 0.000 0.485 211 A N 0.705 123.556 122.820 0.052 0.000 1.854 211 A HA -0.043 4.277 4.320 -0.000 0.000 0.214 211 A C 2.215 179.808 177.584 0.014 0.000 1.192 211 A CA 1.450 53.528 52.037 0.068 0.000 0.611 211 A CB -1.116 18.005 19.000 0.202 0.000 0.832 211 A HN 0.421 nan 8.150 nan 0.000 0.442 212 L N -0.131 121.092 121.223 -0.000 0.000 1.941 212 L HA -0.277 4.063 4.340 -0.000 0.000 0.224 212 L C 2.586 179.479 176.870 0.038 0.000 1.081 212 L CA 2.125 56.981 54.840 0.027 0.000 0.784 212 L CB -1.048 41.010 42.059 -0.002 0.000 0.894 212 L HN 0.641 nan 8.230 nan 0.000 0.436 213 I N -1.049 119.495 120.570 -0.044 0.000 2.423 213 I HA -0.183 3.987 4.170 -0.000 0.000 0.254 213 I C 2.517 178.574 176.117 -0.100 0.000 1.151 213 I CA 1.352 62.616 61.300 -0.060 0.000 1.421 213 I CB -1.395 36.549 38.000 -0.094 0.000 1.079 213 I HN 0.159 nan 8.210 nan 0.000 0.431 214 A N 0.257 122.962 122.820 -0.191 0.000 1.883 214 A HA -0.229 4.091 4.320 -0.000 0.000 0.217 214 A C 2.432 179.984 177.584 -0.052 0.000 1.186 214 A CA 1.993 53.882 52.037 -0.246 0.000 0.624 214 A CB -1.429 17.324 19.000 -0.412 0.000 0.822 214 A HN 0.647 nan 8.150 nan 0.000 0.444 215 Y N 0.589 120.843 120.300 -0.077 0.000 2.133 215 Y HA -0.149 4.401 4.550 -0.000 0.000 0.287 215 Y C 2.284 178.185 175.900 0.001 0.000 1.134 215 Y CA 2.002 60.098 58.100 -0.006 0.000 1.133 215 Y CB -0.328 38.150 38.460 0.029 0.000 0.987 215 Y HN 0.044 nan 8.280 nan 0.000 0.502 216 V N 0.696 120.681 119.914 0.119 0.000 2.828 216 V HA -0.332 3.788 4.120 -0.000 0.000 0.260 216 V C 2.010 178.059 176.094 -0.075 0.000 1.101 216 V CA 1.689 64.005 62.300 0.026 0.000 1.123 216 V CB -0.642 31.235 31.823 0.091 0.000 0.704 216 V HN 0.505 nan 8.190 nan 0.000 0.493 217 M N -0.717 118.830 119.600 -0.089 0.000 2.466 217 M HA 0.176 4.656 4.480 -0.000 0.000 0.265 217 M C 2.363 178.592 176.300 -0.118 0.000 1.122 217 M CA 1.478 56.724 55.300 -0.091 0.000 1.157 217 M CB -1.146 31.405 32.600 -0.081 0.000 1.352 217 M HN 0.353 nan 8.290 nan 0.000 0.464 218 A N 0.426 123.154 122.820 -0.154 0.000 1.930 218 A HA -0.068 4.252 4.320 -0.000 0.000 0.217 218 A C 0.993 178.465 177.584 -0.187 0.000 1.175 218 A CA 1.104 53.053 52.037 -0.146 0.000 0.627 218 A CB -0.199 18.717 19.000 -0.140 0.000 0.815 218 A HN 0.500 nan 8.150 nan 0.000 0.443 219 E N -1.852 118.182 120.200 -0.277 0.000 2.281 219 E HA 0.456 4.805 4.350 -0.000 0.000 0.262 219 E C -0.278 176.222 176.600 -0.166 0.000 0.933 219 E CA -0.928 55.327 56.400 -0.243 0.000 0.809 219 E CB 0.817 30.300 29.700 -0.363 0.000 1.242 219 E HN 0.197 nan 8.360 nan 0.000 0.418 220 Q N -0.700 119.028 119.800 -0.121 0.000 2.342 220 Q HA -0.254 4.086 4.340 -0.000 0.000 0.196 220 Q C 0.714 176.664 176.000 -0.084 0.000 0.629 220 Q CA 1.233 56.982 55.803 -0.090 0.000 1.365 220 Q CB -2.174 26.524 28.738 -0.065 0.000 1.406 220 Q HN 1.066 nan 8.270 nan 0.000 0.840 221 G N -0.440 108.301 108.800 -0.098 0.000 2.611 221 G HA2 -0.409 3.551 3.960 -0.000 0.000 0.301 221 G HA3 -0.409 3.551 3.960 -0.000 0.000 0.301 221 G C 0.636 175.494 174.900 -0.070 0.000 1.233 221 G CA 1.362 46.405 45.100 -0.096 0.000 0.993 221 G HN 0.586 nan 8.290 nan 0.000 0.553 222 V N 0.703 120.586 119.914 -0.052 0.000 3.661 222 V HA 0.258 4.378 4.120 -0.000 0.000 0.271 222 V C 2.829 178.912 176.094 -0.017 0.000 1.315 222 V CA 2.260 64.543 62.300 -0.028 0.000 1.072 222 V CB -0.696 31.119 31.823 -0.013 0.000 0.830 222 V HN 1.312 nan 8.190 nan 0.000 0.443 223 H N 0.598 119.653 119.070 -0.026 0.000 2.466 223 H HA -0.182 4.374 4.556 -0.000 0.000 0.297 223 H C 2.426 177.752 175.328 -0.004 0.000 1.113 223 H CA 2.461 58.497 56.048 -0.019 0.000 1.273 223 H CB -0.724 29.013 29.762 -0.042 0.000 1.371 223 H HN 0.515 nan 8.280 nan 0.000 0.528 224 V N -1.406 118.507 119.914 -0.002 0.000 2.407 224 V HA -0.184 3.936 4.120 -0.000 0.000 0.248 224 V C 2.417 178.539 176.094 0.047 0.000 1.055 224 V CA 1.759 64.078 62.300 0.032 0.000 1.049 224 V CB -1.070 30.771 31.823 0.030 0.000 0.662 224 V HN 0.522 nan 8.190 nan 0.000 0.455 225 V N 2.043 121.972 119.914 0.024 0.000 2.392 225 V HA -0.160 3.960 4.120 -0.000 0.000 0.249 225 V C 2.918 179.035 176.094 0.038 0.000 1.059 225 V CA 2.388 64.702 62.300 0.024 0.000 1.051 225 V CB -1.722 30.108 31.823 0.012 0.000 0.658 225 V HN 0.658 nan 8.190 nan 0.000 0.455 226 G N -0.380 108.444 108.800 0.041 0.000 2.433 226 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.216 226 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.216 226 G C 1.471 176.419 174.900 0.080 0.000 1.186 226 G CA 0.674 45.805 45.100 0.052 0.000 0.779 226 G HN 0.489 nan 8.290 nan 0.000 0.543 227 E N 0.614 120.872 120.200 0.097 0.000 2.077 227 E HA -0.051 4.299 4.350 -0.000 0.000 0.193 227 E C 2.737 179.474 176.600 0.228 0.000 0.989 227 E CA 0.475 56.977 56.400 0.170 0.000 0.800 227 E CB -0.447 29.352 29.700 0.165 0.000 0.746 227 E HN 0.449 nan 8.360 nan 0.000 0.452 228 L N 0.484 121.800 121.223 0.155 0.000 2.012 228 L HA -0.176 4.164 4.340 -0.000 0.000 0.210 228 L C 2.584 179.470 176.870 0.025 0.000 1.073 228 L CA 1.414 56.288 54.840 0.058 0.000 0.748 228 L CB -0.615 41.456 42.059 0.018 0.000 0.891 228 L HN 0.071 nan 8.230 nan 0.000 0.431 229 A N -0.403 122.440 122.820 0.040 0.000 1.897 229 A HA -0.181 4.139 4.320 -0.000 0.000 0.215 229 A C 2.346 179.948 177.584 0.030 0.000 1.181 229 A CA 1.278 53.332 52.037 0.029 0.000 0.620 229 A CB -0.386 18.632 19.000 0.030 0.000 0.821 229 A HN 0.168 nan 8.150 nan 0.000 0.443 230 K N 0.460 120.899 120.400 0.065 0.000 2.360 230 K HA -0.052 4.268 4.320 -0.000 0.000 0.201 230 K C 1.595 178.207 176.600 0.020 0.000 1.046 230 K CA 1.422 57.759 56.287 0.083 0.000 0.945 230 K CB -0.457 32.130 32.500 0.144 0.000 0.750 230 K HN 0.317 nan 8.250 nan 0.000 0.464 231 V N 0.079 120.012 119.914 0.032 0.000 2.374 231 V HA -0.132 3.988 4.120 -0.000 0.000 0.241 231 V C 2.168 178.205 176.094 -0.096 0.000 1.034 231 V CA 1.869 64.161 62.300 -0.012 0.000 1.037 231 V CB -0.649 31.132 31.823 -0.069 0.000 0.682 231 V HN 0.273 nan 8.190 nan 0.000 0.463 232 T N 0.991 115.519 114.554 -0.042 0.000 2.665 232 T HA -0.265 4.085 4.350 -0.000 0.000 0.268 232 T C 2.075 176.802 174.700 0.044 0.000 1.035 232 T CA 1.932 64.063 62.100 0.051 0.000 1.151 232 T CB -0.536 68.400 68.868 0.114 0.000 0.862 232 T HN 0.556 nan 8.240 nan 0.000 0.438 233 A N 1.755 124.521 122.820 -0.090 0.000 1.859 233 A HA -0.010 4.310 4.320 -0.000 0.000 0.217 233 A C 2.724 180.015 177.584 -0.488 0.000 1.198 233 A CA 2.337 54.242 52.037 -0.220 0.000 0.629 233 A CB -1.416 17.421 19.000 -0.272 0.000 0.830 233 A HN 0.553 nan 8.150 nan 0.000 0.446 234 A N -0.873 121.432 122.820 -0.858 0.000 1.958 234 A HA -0.045 4.275 4.320 -0.000 0.000 0.221 234 A C 2.233 179.655 177.584 -0.271 0.000 1.178 234 A CA 2.128 53.671 52.037 -0.823 0.000 0.642 234 A CB -0.995 17.720 19.000 -0.475 0.000 0.816 234 A HN 0.430 nan 8.150 nan 0.000 0.453 235 V N -1.564 118.248 119.914 -0.171 0.000 2.227 235 V HA -0.257 3.863 4.120 -0.000 0.000 0.238 235 V C 2.241 178.289 176.094 -0.078 0.000 1.039 235 V CA 1.969 64.198 62.300 -0.119 0.000 0.990 235 V CB -1.382 30.342 31.823 -0.165 0.000 0.635 235 V HN 0.623 nan 8.190 nan 0.000 0.453 236 Y N 1.203 121.498 120.300 -0.009 0.000 2.069 236 Y HA -0.268 4.282 4.550 -0.000 0.000 0.278 236 Y C 2.537 178.461 175.900 0.039 0.000 1.175 236 Y CA 2.212 60.332 58.100 0.034 0.000 1.134 236 Y CB -1.303 37.180 38.460 0.039 0.000 0.965 236 Y HN 0.247 nan 8.280 nan 0.000 0.498 237 V N -2.038 117.972 119.914 0.161 0.000 3.140 237 V HA -0.112 4.008 4.120 -0.000 0.000 0.269 237 V C 1.802 177.982 176.094 0.143 0.000 1.149 237 V CA 1.784 64.172 62.300 0.147 0.000 1.162 237 V CB -1.367 30.554 31.823 0.164 0.000 0.756 237 V HN 0.426 nan 8.190 nan 0.000 0.523 238 G N -0.143 108.719 108.800 0.104 0.000 2.641 238 G HA2 0.134 4.094 3.960 -0.000 0.000 0.207 238 G HA3 0.134 4.094 3.960 -0.000 0.000 0.207 238 G C 1.333 176.304 174.900 0.119 0.000 1.137 238 G CA 0.461 45.619 45.100 0.097 0.000 0.824 238 G HN 0.474 nan 8.290 nan 0.000 0.547 239 L N 1.538 122.823 121.223 0.103 0.000 2.056 239 L HA -0.054 4.286 4.340 -0.000 0.000 0.207 239 L C 3.310 180.294 176.870 0.190 0.000 1.078 239 L CA 1.835 56.752 54.840 0.129 0.000 0.749 239 L CB -0.920 41.177 42.059 0.063 0.000 0.901 239 L HN 0.391 nan 8.230 nan 0.000 0.433 240 T N -1.776 112.894 114.554 0.194 0.000 2.867 240 T HA -0.202 4.148 4.350 -0.000 0.000 0.268 240 T C 1.852 176.676 174.700 0.207 0.000 1.057 240 T CA 0.932 63.150 62.100 0.198 0.000 1.136 240 T CB -0.445 68.526 68.868 0.171 0.000 0.874 240 T HN 0.308 nan 8.240 nan 0.000 0.466 241 L N 0.223 121.562 121.223 0.192 0.000 2.093 241 L HA -0.070 4.270 4.340 -0.000 0.000 0.208 241 L C 2.897 179.915 176.870 0.247 0.000 1.085 241 L CA 1.712 56.668 54.840 0.194 0.000 0.755 241 L CB -0.496 41.665 42.059 0.170 0.000 0.904 241 L HN 0.276 nan 8.230 nan 0.000 0.435 242 Q N 0.808 120.770 119.800 0.269 0.000 2.014 242 Q HA -0.265 4.074 4.340 -0.000 0.000 0.207 242 Q C 1.925 178.187 176.000 0.438 0.000 0.993 242 Q CA 2.732 58.734 55.803 0.331 0.000 0.850 242 Q CB -0.533 28.410 28.738 0.341 0.000 0.916 242 Q HN 0.651 nan 8.270 nan 0.000 0.417 243 I N -0.216 120.671 120.570 0.529 0.000 2.099 243 I HA -0.309 3.861 4.170 -0.000 0.000 0.239 243 I C 2.324 178.810 176.117 0.615 0.000 1.066 243 I CA 1.299 63.003 61.300 0.673 0.000 1.324 243 I CB -0.499 37.695 38.000 0.324 0.000 1.037 243 I HN 0.232 nan 8.210 nan 0.000 0.401 244 L N 0.247 121.757 121.223 0.479 0.000 2.012 244 L HA -0.226 4.113 4.340 -0.000 0.000 0.210 244 L C 2.518 179.554 176.870 0.276 0.000 1.073 244 L CA 1.451 56.518 54.840 0.379 0.000 0.748 244 L CB -0.448 41.696 42.059 0.141 0.000 0.891 244 L HN 0.364 nan 8.230 nan 0.000 0.431 245 L N -1.346 120.006 121.223 0.214 0.000 2.446 245 L HA -0.006 4.334 4.340 -0.000 0.000 0.219 245 L C 1.798 178.685 176.870 0.029 0.000 1.116 245 L CA 0.192 55.108 54.840 0.127 0.000 0.844 245 L CB 0.464 42.611 42.059 0.147 0.000 0.970 245 L HN -0.008 nan 8.230 nan 0.000 0.457 246 V N -1.459 118.472 119.914 0.028 0.000 2.721 246 V HA -0.061 4.059 4.120 -0.000 0.000 0.236 246 V C 1.822 177.789 176.094 -0.212 0.000 1.116 246 V CA 0.553 62.725 62.300 -0.214 0.000 1.148 246 V CB -0.520 31.084 31.823 -0.364 0.000 0.886 246 V HN 0.210 nan 8.190 nan 0.000 0.490 247 Y N 0.130 120.431 120.300 0.002 0.000 2.113 247 Y HA -0.104 4.446 4.550 -0.000 0.000 0.269 247 Y C 2.365 178.181 175.900 -0.141 0.000 1.098 247 Y CA 2.142 60.175 58.100 -0.113 0.000 1.083 247 Y CB -1.093 37.239 38.460 -0.214 0.000 0.997 247 Y HN 0.103 nan 8.280 nan 0.000 0.476 248 F N -0.372 119.640 119.950 0.103 0.000 2.141 248 F HA -0.283 4.244 4.527 -0.000 0.000 0.300 248 F C 2.299 178.099 175.800 0.001 0.000 1.079 248 F CA 1.418 59.429 58.000 0.019 0.000 1.264 248 F CB -1.235 37.785 39.000 0.034 0.000 1.011 248 F HN -0.130 nan 8.300 nan 0.000 0.487 249 V N 0.467 120.481 119.914 0.167 0.000 2.427 249 V HA -0.218 3.902 4.120 -0.000 0.000 0.248 249 V C 1.844 177.951 176.094 0.021 0.000 1.051 249 V CA 1.712 64.050 62.300 0.064 0.000 1.048 249 V CB -0.741 31.087 31.823 0.009 0.000 0.666 249 V HN 0.403 nan 8.190 nan 0.000 0.456 250 L N -2.582 118.649 121.223 0.013 0.000 2.653 250 L HA 0.343 4.683 4.340 -0.000 0.000 0.231 250 L C 1.436 178.388 176.870 0.137 0.000 1.153 250 L CA 1.207 56.084 54.840 0.063 0.000 0.933 250 L CB -0.723 41.368 42.059 0.054 0.000 1.175 250 L HN 0.095 nan 8.230 nan 0.000 0.473 251 L N -1.001 120.249 121.223 0.044 0.000 2.500 251 L HA 0.257 4.597 4.340 -0.000 0.000 0.219 251 L C 2.230 179.131 176.870 0.051 0.000 1.057 251 L CA 0.064 54.901 54.840 -0.005 0.000 0.854 251 L CB -0.287 41.644 42.059 -0.214 0.000 1.078 251 L HN 0.169 nan 8.230 nan 0.000 0.480 252 K N 1.139 121.571 120.400 0.054 0.000 2.418 252 K HA -0.027 4.293 4.320 -0.000 0.000 0.195 252 K C 1.763 178.367 176.600 0.006 0.000 1.035 252 K CA 0.725 57.041 56.287 0.048 0.000 1.003 252 K CB 0.175 32.711 32.500 0.059 0.000 0.793 252 K HN 0.159 nan 8.250 nan 0.000 0.494 253 I N 0.453 121.011 120.570 -0.019 0.000 2.761 253 I HA -0.118 4.052 4.170 -0.000 0.000 0.261 253 I C 0.288 176.221 176.117 -0.306 0.000 1.198 253 I CA 0.993 62.196 61.300 -0.163 0.000 1.482 253 I CB 0.011 37.887 38.000 -0.208 0.000 1.100 253 I HN 0.010 nan 8.210 nan 0.000 0.445 254 Y N 0.394 120.683 120.300 -0.018 0.000 2.734 254 Y HA 0.485 5.035 4.550 -0.000 0.000 0.278 254 Y C 1.506 177.402 175.900 -0.007 0.000 1.108 254 Y CA -0.265 57.825 58.100 -0.016 0.000 1.211 254 Y CB 0.083 38.528 38.460 -0.025 0.000 1.182 254 Y HN 0.105 nan 8.280 nan 0.000 0.547 255 G N 1.389 110.239 108.800 0.084 0.000 2.341 255 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.292 255 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.292 255 G C -0.261 174.688 174.900 0.080 0.000 1.021 255 G CA 0.136 45.277 45.100 0.067 0.000 0.905 255 G HN 0.235 nan 8.290 nan 0.000 0.508 256 I N 0.374 120.995 120.570 0.084 0.000 2.378 256 I HA 0.259 4.429 4.170 -0.000 0.000 0.291 256 I C -0.027 176.142 176.117 0.087 0.000 0.992 256 I CA -1.589 59.760 61.300 0.082 0.000 1.154 256 I CB 1.610 39.640 38.000 0.049 0.000 1.315 256 I HN 0.082 nan 8.210 nan 0.000 0.448 257 D N 10.048 130.522 120.400 0.124 0.000 2.348 257 D HA 0.117 4.757 4.640 -0.000 0.000 0.259 257 D C -1.445 174.981 176.300 0.209 0.000 1.296 257 D CA -1.788 52.303 54.000 0.151 0.000 0.931 257 D CB 1.295 42.182 40.800 0.146 0.000 1.067 257 D HN 0.242 nan 8.370 nan 0.000 0.503 258 P HA -0.175 nan 4.420 nan 0.000 0.214 258 P C 1.934 179.492 177.300 0.431 0.000 1.162 258 P CA 0.851 64.083 63.100 0.219 0.000 0.879 258 P CB 0.394 32.445 31.700 0.585 0.000 0.786 259 I N 1.063 121.877 120.570 0.408 0.000 2.064 259 I HA -0.340 3.830 4.170 -0.000 0.000 0.234 259 I C 2.823 179.092 176.117 0.254 0.000 1.019 259 I CA 2.735 64.220 61.300 0.308 0.000 1.301 259 I CB -1.420 36.685 38.000 0.175 0.000 1.017 259 I HN 0.088 nan 8.210 nan 0.000 0.392 260 S N 1.046 116.872 115.700 0.210 0.000 2.387 260 S HA -0.287 4.183 4.470 -0.000 0.000 0.230 260 S C 2.003 176.763 174.600 0.267 0.000 1.035 260 S CA 1.450 59.759 58.200 0.181 0.000 1.014 260 S CB -1.342 61.970 63.200 0.187 0.000 0.836 260 S HN 0.478 nan 8.310 nan 0.000 0.466 261 F N 3.017 123.058 119.950 0.153 0.000 2.032 261 F HA -0.199 4.328 4.527 -0.000 0.000 0.297 261 F C 2.092 177.951 175.800 0.099 0.000 1.125 261 F CA 1.967 60.036 58.000 0.115 0.000 1.202 261 F CB -0.422 38.577 39.000 -0.002 0.000 0.958 261 F HN 0.118 nan 8.300 nan 0.000 0.491 262 I N 0.534 121.308 120.570 0.339 0.000 2.530 262 I HA -0.249 3.921 4.170 -0.000 0.000 0.257 262 I C 2.171 178.301 176.117 0.022 0.000 1.179 262 I CA 1.328 62.734 61.300 0.177 0.000 1.440 262 I CB -1.564 36.593 38.000 0.263 0.000 1.087 262 I HN 0.235 nan 8.210 nan 0.000 0.440 263 K N 0.524 120.920 120.400 -0.007 0.000 2.211 263 K HA -0.140 4.180 4.320 -0.000 0.000 0.203 263 K C 2.085 178.539 176.600 -0.244 0.000 1.050 263 K CA 1.383 57.591 56.287 -0.131 0.000 0.945 263 K CB -0.167 32.225 32.500 -0.180 0.000 0.732 263 K HN 0.418 nan 8.250 nan 0.000 0.451 264 H N -1.329 117.649 119.070 -0.154 0.000 2.399 264 H HA 0.178 4.734 4.556 -0.000 0.000 0.300 264 H C 1.458 176.655 175.328 -0.219 0.000 1.048 264 H CA 1.131 57.062 56.048 -0.195 0.000 1.370 264 H CB 0.086 29.695 29.762 -0.254 0.000 1.428 264 H HN 0.273 nan 8.280 nan 0.000 0.534 265 A N 1.533 124.250 122.820 -0.172 0.000 2.239 265 A HA -0.081 4.239 4.320 -0.000 0.000 0.209 265 A C 2.273 179.807 177.584 -0.083 0.000 1.171 265 A CA 0.537 52.471 52.037 -0.170 0.000 0.768 265 A CB -0.404 18.456 19.000 -0.233 0.000 0.790 265 A HN 0.292 nan 8.150 nan 0.000 0.478 266 K N 0.120 120.476 120.400 -0.074 0.000 2.113 266 K HA -0.245 4.075 4.320 -0.000 0.000 0.208 266 K C 0.743 177.318 176.600 -0.041 0.000 1.047 266 K CA 2.031 58.286 56.287 -0.053 0.000 0.928 266 K CB -0.100 32.360 32.500 -0.067 0.000 0.716 266 K HN 0.417 nan 8.250 nan 0.000 0.446 267 D N -0.304 120.070 120.400 -0.043 0.000 2.216 267 D HA -0.002 4.638 4.640 -0.000 0.000 0.208 267 D C 1.720 178.011 176.300 -0.015 0.000 0.960 267 D CA 1.086 55.070 54.000 -0.027 0.000 0.861 267 D CB -0.147 40.635 40.800 -0.031 0.000 0.985 267 D HN 0.311 nan 8.370 nan 0.000 0.493 268 A N 0.540 123.343 122.820 -0.029 0.000 1.969 268 A HA -0.116 4.203 4.320 -0.000 0.000 0.218 268 A C 2.148 179.739 177.584 0.011 0.000 1.169 268 A CA 1.113 53.139 52.037 -0.018 0.000 0.635 268 A CB -0.426 18.549 19.000 -0.042 0.000 0.810 268 A HN 0.120 nan 8.150 nan 0.000 0.445 269 M N -0.628 118.978 119.600 0.011 0.000 2.102 269 M HA -0.024 4.456 4.480 -0.000 0.000 0.259 269 M C 1.902 178.256 176.300 0.091 0.000 1.083 269 M CA 0.995 56.322 55.300 0.045 0.000 1.141 269 M CB -0.468 32.145 32.600 0.020 0.000 1.318 269 M HN 0.214 nan 8.290 nan 0.000 0.421 270 L N 0.123 121.376 121.223 0.050 0.000 2.081 270 L HA -0.202 4.138 4.340 -0.000 0.000 0.212 270 L C 2.438 179.390 176.870 0.137 0.000 1.080 270 L CA 1.861 56.749 54.840 0.081 0.000 0.754 270 L CB -2.255 39.815 42.059 0.018 0.000 0.893 270 L HN 0.417 nan 8.230 nan 0.000 0.433 271 T N 0.485 115.088 114.554 0.082 0.000 2.614 271 T HA -0.159 4.191 4.350 -0.000 0.000 0.263 271 T C 2.039 176.790 174.700 0.085 0.000 1.055 271 T CA 1.658 63.799 62.100 0.068 0.000 1.162 271 T CB -0.308 68.581 68.868 0.035 0.000 0.863 271 T HN 0.439 nan 8.240 nan 0.000 0.414 272 A N 0.931 123.801 122.820 0.083 0.000 1.940 272 A HA -0.084 4.236 4.320 -0.000 0.000 0.219 272 A C 2.058 179.700 177.584 0.098 0.000 1.176 272 A CA 1.634 53.714 52.037 0.072 0.000 0.631 272 A CB -1.114 17.926 19.000 0.066 0.000 0.814 272 A HN 0.514 nan 8.150 nan 0.000 0.446 273 F N 0.332 120.293 119.950 0.019 0.000 2.202 273 F HA -0.141 4.386 4.527 -0.000 0.000 0.301 273 F C 1.979 177.797 175.800 0.030 0.000 1.082 273 F CA 1.955 59.974 58.000 0.031 0.000 1.313 273 F CB 0.131 39.155 39.000 0.040 0.000 1.024 273 F HN 0.043 nan 8.300 nan 0.000 0.495 274 V N -0.614 119.384 119.914 0.139 0.000 2.825 274 V HA -0.140 3.980 4.120 -0.000 0.000 0.246 274 V C 2.376 178.462 176.094 -0.014 0.000 1.068 274 V CA 1.696 64.027 62.300 0.051 0.000 1.088 274 V CB -0.557 31.344 31.823 0.131 0.000 0.733 274 V HN 0.538 nan 8.190 nan 0.000 0.468 275 T N -2.295 112.261 114.554 0.003 0.000 2.978 275 T HA -0.067 4.283 4.350 -0.000 0.000 0.262 275 T C 1.340 176.021 174.700 -0.032 0.000 1.063 275 T CA 0.729 62.826 62.100 -0.006 0.000 1.140 275 T CB -0.134 68.738 68.868 0.007 0.000 0.886 275 T HN 0.433 nan 8.240 nan 0.000 0.470 276 R N -0.229 120.239 120.500 -0.054 0.000 3.994 276 R HA -0.128 4.211 4.340 -0.000 0.000 0.403 276 R C 0.243 176.517 176.300 -0.043 0.000 1.126 276 R CA 0.895 56.950 56.100 -0.075 0.000 1.143 276 R CB -2.502 27.744 30.300 -0.091 0.000 1.695 276 R HN 0.478 nan 8.270 nan 0.000 0.555 277 S N 0.291 115.977 115.700 -0.024 0.000 2.790 277 S HA 0.269 4.739 4.470 -0.000 0.000 0.202 277 S C 1.137 175.726 174.600 -0.018 0.000 1.383 277 S CA 0.243 58.431 58.200 -0.021 0.000 1.026 277 S CB 1.209 64.400 63.200 -0.015 0.000 1.253 277 S HN 0.324 nan 8.310 nan 0.000 0.489 278 S N 2.970 118.659 115.700 -0.019 0.000 2.389 278 S HA -0.170 4.300 4.470 -0.000 0.000 0.231 278 S C 2.135 176.723 174.600 -0.020 0.000 1.052 278 S CA 2.455 60.649 58.200 -0.009 0.000 1.053 278 S CB -0.575 62.621 63.200 -0.007 0.000 0.886 278 S HN 0.775 nan 8.310 nan 0.000 0.456 279 S N -0.050 115.626 115.700 -0.041 0.000 2.345 279 S HA 0.026 4.496 4.470 -0.000 0.000 0.220 279 S C 2.000 176.577 174.600 -0.038 0.000 1.031 279 S CA 1.551 59.718 58.200 -0.055 0.000 0.996 279 S CB -1.061 62.083 63.200 -0.093 0.000 0.882 279 S HN 0.722 nan 8.310 nan 0.000 0.445 280 G N -0.382 108.400 108.800 -0.030 0.000 2.559 280 G HA2 -0.039 3.921 3.960 -0.000 0.000 0.216 280 G HA3 -0.039 3.921 3.960 -0.000 0.000 0.216 280 G C 0.922 175.817 174.900 -0.009 0.000 1.126 280 G CA 1.133 46.222 45.100 -0.019 0.000 0.778 280 G HN 0.556 nan 8.290 nan 0.000 0.543 281 T N 0.742 115.292 114.554 -0.006 0.000 3.243 281 T HA 0.191 4.541 4.350 -0.000 0.000 0.264 281 T C 1.601 176.302 174.700 0.001 0.000 1.000 281 T CA -0.411 61.690 62.100 0.002 0.000 0.901 281 T CB 0.461 69.336 68.868 0.012 0.000 1.083 281 T HN 0.121 nan 8.240 nan 0.000 0.559 282 L N 2.411 123.632 121.223 -0.003 0.000 2.095 282 L HA 0.220 4.560 4.340 -0.000 0.000 0.204 282 L C -1.071 175.804 176.870 0.008 0.000 1.080 282 L CA 1.395 56.236 54.840 0.002 0.000 0.759 282 L CB -0.901 41.154 42.059 -0.007 0.000 0.914 282 L HN 0.024 nan 8.230 nan 0.000 0.439 283 P HA -0.130 nan 4.420 nan 0.000 0.215 283 P C 1.976 179.274 177.300 -0.004 0.000 1.157 283 P CA 1.460 64.564 63.100 0.007 0.000 0.868 283 P CB -0.047 31.655 31.700 0.004 0.000 0.788 284 V N -0.843 119.067 119.914 -0.008 0.000 2.759 284 V HA -0.152 3.968 4.120 -0.000 0.000 0.256 284 V C 2.081 178.155 176.094 -0.033 0.000 1.080 284 V CA 2.154 64.443 62.300 -0.018 0.000 1.101 284 V CB -1.693 30.125 31.823 -0.009 0.000 0.698 284 V HN 0.205 nan 8.190 nan 0.000 0.477 285 T N -0.377 114.162 114.554 -0.025 0.000 3.014 285 T HA 0.055 4.405 4.350 -0.000 0.000 0.263 285 T C 1.762 176.420 174.700 -0.071 0.000 1.078 285 T CA 1.070 63.149 62.100 -0.035 0.000 1.135 285 T CB -0.095 68.771 68.868 -0.003 0.000 0.895 285 T HN 0.352 nan 8.240 nan 0.000 0.480 286 M N 0.246 119.814 119.600 -0.052 0.000 2.394 286 M HA 0.190 4.669 4.480 -0.000 0.000 0.266 286 M C 2.441 178.616 176.300 -0.208 0.000 1.098 286 M CA 0.646 55.887 55.300 -0.099 0.000 1.149 286 M CB -0.166 32.493 32.600 0.099 0.000 1.369 286 M HN 0.022 nan 8.290 nan 0.000 0.450 287 R N 0.800 121.234 120.500 -0.109 0.000 2.091 287 R HA -0.122 4.218 4.340 -0.000 0.000 0.238 287 R C 1.676 177.880 176.300 -0.161 0.000 1.136 287 R CA 1.490 57.528 56.100 -0.103 0.000 0.959 287 R CB -0.177 30.088 30.300 -0.057 0.000 0.856 287 R HN 0.209 nan 8.270 nan 0.000 0.437 288 V N 1.103 120.919 119.914 -0.163 0.000 2.970 288 V HA -0.099 4.021 4.120 -0.000 0.000 0.260 288 V C 2.378 178.300 176.094 -0.287 0.000 1.100 288 V CA 1.259 63.451 62.300 -0.180 0.000 1.122 288 V CB -0.314 31.421 31.823 -0.147 0.000 0.721 288 V HN 0.493 nan 8.190 nan 0.000 0.483 289 A N 0.809 123.380 122.820 -0.415 0.000 1.849 289 A HA -0.264 4.056 4.320 -0.000 0.000 0.217 289 A C 2.293 179.507 177.584 -0.616 0.000 1.202 289 A CA 2.240 53.880 52.037 -0.662 0.000 0.629 289 A CB -0.424 17.736 19.000 -1.400 0.000 0.834 289 A HN 0.530 nan 8.150 nan 0.000 0.447 290 K N -0.785 119.242 120.400 -0.622 0.000 1.967 290 K HA -0.140 4.180 4.320 -0.000 0.000 0.212 290 K C 1.806 178.279 176.600 -0.211 0.000 1.044 290 K CA 1.346 57.458 56.287 -0.292 0.000 0.942 290 K CB -0.436 31.984 32.500 -0.134 0.000 0.726 290 K HN 0.565 nan 8.250 nan 0.000 0.440 291 E N 0.636 120.732 120.200 -0.174 0.000 2.476 291 E HA -0.281 4.069 4.350 -0.000 0.000 0.241 291 E C 1.396 177.863 176.600 -0.221 0.000 1.154 291 E CA 2.162 58.484 56.400 -0.130 0.000 1.002 291 E CB -0.584 29.073 29.700 -0.071 0.000 0.834 291 E HN 0.502 nan 8.360 nan 0.000 0.454 292 M N -1.960 117.449 119.600 -0.319 0.000 2.859 292 M HA 0.429 4.909 4.480 -0.000 0.000 0.297 292 M C 0.603 176.765 176.300 -0.230 0.000 1.268 292 M CA 0.347 55.392 55.300 -0.425 0.000 1.003 292 M CB 0.419 32.685 32.600 -0.556 0.000 1.308 292 M HN 0.010 nan 8.290 nan 0.000 0.502 293 G N 2.303 111.010 108.800 -0.154 0.000 2.393 293 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.299 293 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.299 293 G C -0.307 174.569 174.900 -0.040 0.000 0.990 293 G CA 0.118 45.173 45.100 -0.075 0.000 1.118 293 G HN 0.732 nan 8.290 nan 0.000 0.513 294 I N 0.467 121.016 120.570 -0.036 0.000 2.353 294 I HA 0.286 4.455 4.170 -0.000 0.000 0.293 294 I C 1.126 177.370 176.117 0.211 0.000 0.992 294 I CA -0.553 60.782 61.300 0.058 0.000 1.268 294 I CB 1.703 39.715 38.000 0.020 0.000 1.387 294 I HN 0.244 nan 8.210 nan 0.000 0.478 295 S N 3.853 119.645 115.700 0.154 0.000 2.546 295 S HA -0.060 4.410 4.470 -0.000 0.000 0.290 295 S C 1.170 175.821 174.600 0.086 0.000 1.290 295 S CA -0.198 58.067 58.200 0.108 0.000 1.069 295 S CB 0.624 63.844 63.200 0.034 0.000 0.846 295 S HN 0.693 nan 8.310 nan 0.000 0.495 296 E N 4.756 124.951 120.200 -0.008 0.000 2.035 296 E HA -0.133 4.217 4.350 -0.000 0.000 0.204 296 E C 2.027 178.383 176.600 -0.406 0.000 1.025 296 E CA 2.269 58.485 56.400 -0.307 0.000 0.835 296 E CB -1.103 28.511 29.700 -0.143 0.000 0.764 296 E HN 0.845 nan 8.360 nan 0.000 0.457 297 G N -0.800 107.886 108.800 -0.190 0.000 2.527 297 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.219 297 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.219 297 G C 1.262 176.098 174.900 -0.106 0.000 1.117 297 G CA 1.046 46.062 45.100 -0.140 0.000 0.759 297 G HN 0.267 nan 8.290 nan 0.000 0.556 298 I N -0.639 119.871 120.570 -0.099 0.000 2.512 298 I HA 0.083 4.253 4.170 -0.000 0.000 0.247 298 I C 2.226 178.392 176.117 0.082 0.000 1.094 298 I CA 0.231 61.535 61.300 0.007 0.000 1.427 298 I CB -0.765 37.258 38.000 0.037 0.000 1.149 298 I HN 0.389 nan 8.210 nan 0.000 0.438 299 Y N -1.509 118.821 120.300 0.051 0.000 2.546 299 Y HA 0.224 4.774 4.550 -0.000 0.000 0.287 299 Y C 2.291 178.224 175.900 0.055 0.000 1.158 299 Y CA 0.581 58.709 58.100 0.048 0.000 1.307 299 Y CB -0.940 37.527 38.460 0.012 0.000 1.036 299 Y HN 0.017 nan 8.280 nan 0.000 0.532 300 S N -0.395 115.109 115.700 -0.326 0.000 2.461 300 S HA -0.069 4.401 4.470 -0.000 0.000 0.228 300 S C 1.441 176.040 174.600 -0.000 0.000 1.005 300 S CA 0.828 58.903 58.200 -0.208 0.000 0.942 300 S CB -0.535 62.497 63.200 -0.280 0.000 0.776 300 S HN 0.618 nan 8.310 nan 0.000 0.514 301 F N 1.493 121.390 119.950 -0.087 0.000 2.453 301 F HA 0.125 4.652 4.527 -0.000 0.000 0.284 301 F C 2.442 178.245 175.800 0.005 0.000 1.065 301 F CA 1.508 59.483 58.000 -0.041 0.000 1.411 301 F CB -0.527 38.447 39.000 -0.043 0.000 1.131 301 F HN 0.304 nan 8.300 nan 0.000 0.582 302 T N -0.303 114.366 114.554 0.191 0.000 2.770 302 T HA -0.071 4.279 4.350 -0.000 0.000 0.258 302 T C 2.011 176.765 174.700 0.089 0.000 1.039 302 T CA 1.113 63.306 62.100 0.154 0.000 1.143 302 T CB -0.910 68.119 68.868 0.269 0.000 0.866 302 T HN 0.120 nan 8.240 nan 0.000 0.428 303 L N 2.289 123.585 121.223 0.120 0.000 2.089 303 L HA -0.021 4.319 4.340 -0.000 0.000 0.213 303 L C -0.094 176.785 176.870 0.016 0.000 1.079 303 L CA 1.985 56.885 54.840 0.099 0.000 0.758 303 L CB -2.624 39.517 42.059 0.136 0.000 0.891 303 L HN 0.384 nan 8.230 nan 0.000 0.433 304 P HA -0.094 nan 4.420 nan 0.000 0.231 304 P C 1.951 179.146 177.300 -0.176 0.000 1.168 304 P CA 0.725 63.766 63.100 -0.099 0.000 0.779 304 P CB 0.196 31.830 31.700 -0.111 0.000 0.844 305 L N 0.342 121.417 121.223 -0.247 0.000 2.168 305 L HA 0.335 4.675 4.340 -0.000 0.000 0.203 305 L C 2.274 178.931 176.870 -0.356 0.000 1.078 305 L CA 1.853 56.487 54.840 -0.344 0.000 0.780 305 L CB -1.515 40.255 42.059 -0.481 0.000 0.939 305 L HN -0.090 nan 8.230 nan 0.000 0.451 306 G N -1.253 107.374 108.800 -0.288 0.000 2.848 306 G HA2 0.005 3.965 3.960 -0.000 0.000 0.208 306 G HA3 0.005 3.965 3.960 -0.000 0.000 0.208 306 G C 1.425 176.285 174.900 -0.066 0.000 1.152 306 G CA 0.540 45.497 45.100 -0.237 0.000 0.789 306 G HN 0.550 nan 8.290 nan 0.000 0.531 307 A N 0.559 123.328 122.820 -0.086 0.000 2.014 307 A HA 0.092 4.412 4.320 -0.000 0.000 0.218 307 A C 2.514 180.047 177.584 -0.084 0.000 1.163 307 A CA 2.323 54.324 52.037 -0.060 0.000 0.652 307 A CB -0.322 18.637 19.000 -0.069 0.000 0.808 307 A HN 0.453 nan 8.150 nan 0.000 0.449 308 T N -3.150 111.330 114.554 -0.124 0.000 3.085 308 T HA 0.401 4.751 4.350 -0.000 0.000 0.241 308 T C 0.908 175.546 174.700 -0.104 0.000 0.988 308 T CA 0.046 62.074 62.100 -0.120 0.000 1.117 308 T CB -0.313 68.469 68.868 -0.142 0.000 0.978 308 T HN 0.180 nan 8.240 nan 0.000 0.454 309 I N 2.089 122.559 120.570 -0.166 0.000 3.110 309 I HA 0.327 4.497 4.170 -0.000 0.000 0.314 309 I C 0.317 176.345 176.117 -0.148 0.000 1.020 309 I CA -0.663 60.533 61.300 -0.172 0.000 1.169 309 I CB 0.367 38.203 38.000 -0.273 0.000 1.437 309 I HN 0.308 nan 8.210 nan 0.000 0.595 310 N N 2.977 121.662 118.700 -0.026 0.000 2.699 310 N HA -0.197 4.543 4.740 -0.000 0.000 0.257 310 N C -0.789 174.848 175.510 0.212 0.000 1.077 310 N CA 0.659 53.851 53.050 0.237 0.000 0.702 310 N CB -0.580 38.429 38.487 0.871 0.000 0.886 310 N HN 0.582 nan 8.380 nan 0.000 0.549 311 M N 0.954 120.635 119.600 0.135 0.000 3.231 311 M HA 0.127 4.607 4.480 -0.000 0.000 0.231 311 M C 0.922 177.300 176.300 0.129 0.000 1.136 311 M CA -0.544 54.826 55.300 0.116 0.000 0.990 311 M CB 0.410 33.049 32.600 0.064 0.000 1.291 311 M HN 0.180 nan 8.290 nan 0.000 0.565 312 D N -0.107 120.395 120.400 0.170 0.000 2.354 312 D HA -0.142 4.498 4.640 -0.000 0.000 0.216 312 D C 1.561 177.957 176.300 0.160 0.000 0.970 312 D CA 1.238 55.336 54.000 0.164 0.000 0.905 312 D CB -0.373 40.535 40.800 0.179 0.000 0.903 312 D HN 0.507 nan 8.370 nan 0.000 0.508 313 G N -0.412 108.476 108.800 0.147 0.000 2.430 313 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.216 313 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.216 313 G C 1.627 176.580 174.900 0.089 0.000 1.146 313 G CA 0.927 46.095 45.100 0.115 0.000 0.793 313 G HN 0.350 nan 8.290 nan 0.000 0.537 314 T N 1.406 116.008 114.554 0.081 0.000 2.894 314 T HA 0.193 4.543 4.350 -0.000 0.000 0.258 314 T C 2.843 177.641 174.700 0.164 0.000 1.043 314 T CA 0.988 63.137 62.100 0.081 0.000 1.141 314 T CB -0.245 68.642 68.868 0.032 0.000 0.873 314 T HN 0.301 nan 8.240 nan 0.000 0.449 315 A N 1.595 124.493 122.820 0.132 0.000 1.948 315 A HA -0.069 4.251 4.320 -0.000 0.000 0.220 315 A C 2.248 179.906 177.584 0.124 0.000 1.177 315 A CA 1.366 53.478 52.037 0.125 0.000 0.636 315 A CB -0.900 18.163 19.000 0.105 0.000 0.815 315 A HN 0.517 nan 8.150 nan 0.000 0.449 316 L N -2.112 119.185 121.223 0.124 0.000 2.093 316 L HA -0.132 4.208 4.340 -0.000 0.000 0.208 316 L C 2.439 179.376 176.870 0.111 0.000 1.085 316 L CA 1.985 56.883 54.840 0.097 0.000 0.755 316 L CB -0.395 41.717 42.059 0.089 0.000 0.904 316 L HN 0.555 nan 8.230 nan 0.000 0.435 317 Y N 1.048 121.351 120.300 0.005 0.000 2.049 317 Y HA -0.360 4.190 4.550 -0.000 0.000 0.277 317 Y C 2.638 178.549 175.900 0.018 0.000 1.143 317 Y CA 2.258 60.350 58.100 -0.013 0.000 1.115 317 Y CB -0.387 38.057 38.460 -0.026 0.000 0.975 317 Y HN 0.268 nan 8.280 nan 0.000 0.487 318 Q N -0.439 119.481 119.800 0.200 0.000 2.291 318 Q HA -0.126 4.214 4.340 -0.000 0.000 0.206 318 Q C 2.339 178.361 176.000 0.037 0.000 0.976 318 Q CA 0.932 56.792 55.803 0.096 0.000 0.875 318 Q CB -0.387 28.465 28.738 0.189 0.000 0.927 318 Q HN 0.704 nan 8.270 nan 0.000 0.450 319 G N 0.054 108.894 108.800 0.067 0.000 2.395 319 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.214 319 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.214 319 G C 1.458 176.467 174.900 0.182 0.000 1.177 319 G CA 0.491 45.663 45.100 0.120 0.000 0.794 319 G HN 0.203 nan 8.290 nan 0.000 0.532 320 V N 1.520 121.482 119.914 0.079 0.000 2.488 320 V HA 0.002 4.122 4.120 -0.000 0.000 0.246 320 V C 3.287 179.413 176.094 0.052 0.000 1.046 320 V CA 1.633 63.989 62.300 0.093 0.000 1.053 320 V CB -0.633 31.183 31.823 -0.012 0.000 0.679 320 V HN 0.445 nan 8.190 nan 0.000 0.458 321 A N 0.317 123.041 122.820 -0.160 0.000 1.892 321 A HA -0.286 4.034 4.320 -0.000 0.000 0.218 321 A C 2.405 179.984 177.584 -0.010 0.000 1.188 321 A CA 2.825 54.731 52.037 -0.217 0.000 0.631 321 A CB -1.160 17.555 19.000 -0.475 0.000 0.822 321 A HN 0.497 nan 8.150 nan 0.000 0.447 322 T N -0.265 114.275 114.554 -0.023 0.000 2.607 322 T HA -0.185 4.165 4.350 -0.000 0.000 0.267 322 T C 1.502 176.139 174.700 -0.105 0.000 1.049 322 T CA 1.884 63.927 62.100 -0.095 0.000 1.162 322 T CB -0.577 68.169 68.868 -0.203 0.000 0.863 322 T HN 0.437 nan 8.240 nan 0.000 0.424 323 F N 0.352 120.320 119.950 0.029 0.000 2.307 323 F HA 0.036 4.563 4.527 -0.000 0.000 0.301 323 F C 1.928 177.751 175.800 0.038 0.000 1.076 323 F CA 0.523 58.540 58.000 0.029 0.000 1.383 323 F CB -0.711 38.310 39.000 0.035 0.000 1.055 323 F HN 0.117 nan 8.300 nan 0.000 0.526 324 F N 0.601 120.595 119.950 0.074 0.000 2.084 324 F HA -0.187 4.340 4.527 -0.000 0.000 0.296 324 F C 2.221 178.012 175.800 -0.015 0.000 1.111 324 F CA 1.328 59.340 58.000 0.020 0.000 1.224 324 F CB -0.306 38.675 39.000 -0.031 0.000 0.991 324 F HN -0.222 nan 8.300 nan 0.000 0.471 325 I N 1.226 121.892 120.570 0.160 0.000 2.076 325 I HA -0.316 3.854 4.170 -0.000 0.000 0.237 325 I C 2.857 178.889 176.117 -0.141 0.000 1.059 325 I CA 1.613 62.922 61.300 0.014 0.000 1.317 325 I CB -2.208 35.807 38.000 0.025 0.000 1.037 325 I HN 0.273 nan 8.210 nan 0.000 0.398 326 A N 1.498 124.236 122.820 -0.137 0.000 1.896 326 A HA -0.292 4.028 4.320 -0.000 0.000 0.220 326 A C 2.065 179.559 177.584 -0.149 0.000 1.206 326 A CA 2.608 54.549 52.037 -0.161 0.000 0.647 326 A CB -1.038 17.861 19.000 -0.167 0.000 0.828 326 A HN 0.521 nan 8.150 nan 0.000 0.455 327 N N 0.137 118.764 118.700 -0.122 0.000 2.244 327 N HA -0.027 4.712 4.740 -0.000 0.000 0.183 327 N C 1.731 177.132 175.510 -0.182 0.000 1.016 327 N CA 1.497 54.464 53.050 -0.139 0.000 0.866 327 N CB -0.635 37.801 38.487 -0.084 0.000 0.980 327 N HN 0.523 nan 8.380 nan 0.000 0.430 328 A N 0.276 122.927 122.820 -0.282 0.000 1.969 328 A HA -0.021 4.299 4.320 -0.000 0.000 0.218 328 A C 1.841 179.352 177.584 -0.121 0.000 1.169 328 A CA 0.957 52.834 52.037 -0.267 0.000 0.635 328 A CB -0.324 18.436 19.000 -0.400 0.000 0.810 328 A HN 0.135 nan 8.150 nan 0.000 0.445 329 L N -1.520 119.622 121.223 -0.135 0.000 2.341 329 L HA 0.265 4.605 4.340 -0.000 0.000 0.214 329 L C 1.778 178.637 176.870 -0.020 0.000 1.115 329 L CA 1.184 55.973 54.840 -0.085 0.000 0.820 329 L CB -0.615 41.310 42.059 -0.223 0.000 0.944 329 L HN 0.590 nan 8.230 nan 0.000 0.452 330 G N -1.139 107.617 108.800 -0.074 0.000 2.134 330 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.209 330 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.209 330 G C 0.376 175.183 174.900 -0.156 0.000 0.993 330 G CA 0.248 45.283 45.100 -0.109 0.000 0.669 330 G HN 0.362 nan 8.290 nan 0.000 0.519 331 S N 0.208 115.830 115.700 -0.130 0.000 2.525 331 S HA 0.659 5.129 4.470 -0.000 0.000 0.290 331 S C -0.000 174.492 174.600 -0.180 0.000 1.152 331 S CA -0.658 57.504 58.200 -0.063 0.000 1.072 331 S CB 0.547 63.807 63.200 0.099 0.000 1.027 331 S HN 0.316 nan 8.310 nan 0.000 0.500 332 H N 4.223 123.328 119.070 0.059 0.000 2.556 332 H HA 0.296 4.852 4.556 -0.000 0.000 0.310 332 H C -0.636 174.731 175.328 0.065 0.000 1.057 332 H CA -0.621 55.468 56.048 0.069 0.000 1.264 332 H CB 0.845 30.643 29.762 0.060 0.000 1.404 332 H HN 0.370 nan 8.280 nan 0.000 0.462 333 L N 2.879 124.196 121.223 0.157 0.000 2.477 333 L HA -0.022 4.317 4.340 -0.000 0.000 0.272 333 L C 1.383 178.331 176.870 0.129 0.000 1.157 333 L CA 0.511 55.399 54.840 0.079 0.000 0.889 333 L CB 0.053 42.066 42.059 -0.076 0.000 1.158 333 L HN 0.531 nan 8.230 nan 0.000 0.473 334 T N 3.598 118.207 114.554 0.092 0.000 2.779 334 T HA 0.197 4.547 4.350 -0.000 0.000 0.296 334 T C 0.180 174.928 174.700 0.079 0.000 0.938 334 T CA -0.500 61.651 62.100 0.084 0.000 1.119 334 T CB 0.401 69.307 68.868 0.064 0.000 0.891 334 T HN 0.441 nan 8.240 nan 0.000 0.526 335 V N 6.324 126.290 119.914 0.086 0.000 2.539 335 V HA 0.424 4.544 4.120 -0.000 0.000 0.300 335 V C 1.307 177.438 176.094 0.062 0.000 1.019 335 V CA 2.112 64.462 62.300 0.082 0.000 1.160 335 V CB -0.046 31.818 31.823 0.069 0.000 0.901 335 V HN 1.273 nan 8.190 nan 0.000 0.481 336 G N 4.220 113.056 108.800 0.060 0.000 3.288 336 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.195 336 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.195 336 G C 0.671 175.599 174.900 0.046 0.000 1.093 336 G CA 0.467 45.597 45.100 0.049 0.000 0.852 336 G HN 1.023 nan 8.290 nan 0.000 0.453 337 Q N 0.222 120.048 119.800 0.043 0.000 2.391 337 Q HA 0.328 4.668 4.340 -0.000 0.000 0.211 337 Q C 2.081 178.090 176.000 0.016 0.000 0.908 337 Q CA 1.009 56.829 55.803 0.028 0.000 0.920 337 Q CB -0.041 28.710 28.738 0.021 0.000 1.056 337 Q HN 0.543 nan 8.270 nan 0.000 0.523 338 Q N 1.261 121.085 119.800 0.041 0.000 2.172 338 Q HA -0.095 4.245 4.340 -0.000 0.000 0.200 338 Q C 1.670 177.727 176.000 0.095 0.000 0.964 338 Q CA 1.125 56.973 55.803 0.074 0.000 0.855 338 Q CB 0.145 28.987 28.738 0.172 0.000 0.918 338 Q HN 0.538 nan 8.270 nan 0.000 0.444 339 L N -2.625 118.643 121.223 0.076 0.000 2.567 339 L HA 0.257 4.597 4.340 -0.000 0.000 0.225 339 L C 1.596 178.500 176.870 0.058 0.000 1.119 339 L CA 0.851 55.733 54.840 0.070 0.000 0.871 339 L CB -0.648 41.448 42.059 0.061 0.000 1.036 339 L HN -0.142 nan 8.230 nan 0.000 0.459 340 T N 0.247 114.830 114.554 0.049 0.000 2.942 340 T HA 0.147 4.497 4.350 -0.000 0.000 0.265 340 T C 1.930 176.655 174.700 0.043 0.000 1.062 340 T CA 1.499 63.625 62.100 0.045 0.000 1.139 340 T CB -0.230 68.661 68.868 0.038 0.000 0.883 340 T HN 0.324 nan 8.240 nan 0.000 0.468 341 I N 0.717 121.306 120.570 0.033 0.000 2.252 341 I HA -0.129 4.041 4.170 -0.000 0.000 0.245 341 I C 2.568 178.718 176.117 0.056 0.000 1.102 341 I CA 0.785 62.103 61.300 0.029 0.000 1.385 341 I CB -0.529 37.472 38.000 0.000 0.000 1.064 341 I HN 0.098 nan 8.210 nan 0.000 0.414 342 V N 1.484 121.437 119.914 0.066 0.000 2.261 342 V HA -0.248 3.871 4.120 -0.000 0.000 0.246 342 V C 2.330 178.461 176.094 0.061 0.000 1.047 342 V CA 1.850 64.188 62.300 0.064 0.000 1.015 342 V CB -0.336 31.521 31.823 0.058 0.000 0.642 342 V HN 0.394 nan 8.190 nan 0.000 0.446 343 L N 0.003 121.262 121.223 0.059 0.000 2.083 343 L HA -0.128 4.212 4.340 -0.000 0.000 0.209 343 L C 2.397 179.306 176.870 0.064 0.000 1.083 343 L CA 3.008 57.884 54.840 0.061 0.000 0.752 343 L CB -1.573 40.522 42.059 0.060 0.000 0.899 343 L HN 0.471 nan 8.230 nan 0.000 0.433 344 T N 0.554 115.146 114.554 0.064 0.000 2.732 344 T HA -0.016 4.334 4.350 -0.000 0.000 0.261 344 T C 2.004 176.748 174.700 0.073 0.000 1.040 344 T CA 1.282 63.423 62.100 0.069 0.000 1.145 344 T CB -0.367 68.540 68.868 0.065 0.000 0.866 344 T HN 0.503 nan 8.240 nan 0.000 0.427 345 A N 1.215 124.079 122.820 0.073 0.000 1.958 345 A HA -0.136 4.184 4.320 -0.000 0.000 0.221 345 A C 2.540 180.174 177.584 0.083 0.000 1.178 345 A CA 1.705 53.792 52.037 0.084 0.000 0.642 345 A CB -1.199 17.851 19.000 0.084 0.000 0.816 345 A HN 0.368 nan 8.150 nan 0.000 0.453 346 V N -0.516 119.443 119.914 0.074 0.000 2.270 346 V HA -0.227 3.893 4.120 -0.000 0.000 0.245 346 V C 2.451 178.584 176.094 0.065 0.000 1.043 346 V CA 1.949 64.291 62.300 0.071 0.000 1.014 346 V CB -0.801 31.062 31.823 0.066 0.000 0.645 346 V HN 0.500 nan 8.190 nan 0.000 0.447 347 L N 0.699 121.959 121.223 0.062 0.000 2.093 347 L HA -0.037 4.303 4.340 -0.000 0.000 0.208 347 L C 2.602 179.508 176.870 0.059 0.000 1.085 347 L CA 2.082 56.953 54.840 0.053 0.000 0.755 347 L CB -1.399 40.693 42.059 0.055 0.000 0.904 347 L HN 0.273 nan 8.230 nan 0.000 0.435 348 A N -0.406 122.458 122.820 0.073 0.000 1.972 348 A HA -0.188 4.132 4.320 -0.000 0.000 0.219 348 A C 2.519 180.153 177.584 0.083 0.000 1.169 348 A CA 1.891 53.978 52.037 0.084 0.000 0.635 348 A CB -0.747 18.312 19.000 0.099 0.000 0.810 348 A HN 0.530 nan 8.150 nan 0.000 0.446 349 S N -0.176 115.572 115.700 0.079 0.000 2.414 349 S HA 0.040 4.510 4.470 -0.000 0.000 0.227 349 S C 1.652 176.285 174.600 0.055 0.000 1.022 349 S CA 1.015 59.259 58.200 0.074 0.000 0.958 349 S CB -0.617 62.633 63.200 0.084 0.000 0.797 349 S HN 0.467 nan 8.310 nan 0.000 0.493 350 I N 1.968 122.566 120.570 0.046 0.000 3.176 350 I HA 0.058 4.228 4.170 -0.000 0.000 0.275 350 I C 2.367 178.498 176.117 0.023 0.000 1.298 350 I CA 0.755 62.067 61.300 0.020 0.000 1.445 350 I CB -0.516 37.491 38.000 0.011 0.000 1.075 350 I HN 0.500 nan 8.210 nan 0.000 0.482 351 G N 0.103 108.931 108.800 0.047 0.000 2.545 351 G HA2 -0.031 3.929 3.960 -0.000 0.000 0.212 351 G HA3 -0.031 3.929 3.960 -0.000 0.000 0.212 351 G C 0.815 175.775 174.900 0.099 0.000 1.144 351 G CA -0.026 45.114 45.100 0.066 0.000 0.813 351 G HN 0.228 nan 8.290 nan 0.000 0.531 352 T N 1.532 116.137 114.554 0.084 0.000 2.939 352 T HA 0.282 4.632 4.350 -0.000 0.000 0.312 352 T C 1.629 176.391 174.700 0.103 0.000 1.064 352 T CA 0.428 62.584 62.100 0.093 0.000 1.136 352 T CB 1.418 70.315 68.868 0.050 0.000 1.035 352 T HN 0.253 nan 8.240 nan 0.000 0.538 353 A N 2.368 125.294 122.820 0.177 0.000 2.072 353 A HA 0.471 4.791 4.320 -0.000 0.000 0.216 353 A C 1.779 179.296 177.584 -0.112 0.000 1.156 353 A CA 0.630 52.686 52.037 0.031 0.000 0.701 353 A CB -0.605 18.578 19.000 0.305 0.000 0.816 353 A HN 1.722 nan 8.150 nan 0.000 0.458 354 G N -1.094 107.687 108.800 -0.032 0.000 2.291 354 G HA2 -0.030 3.929 3.960 -0.000 0.000 0.271 354 G HA3 -0.030 3.929 3.960 -0.000 0.000 0.271 354 G C -0.190 174.681 174.900 -0.048 0.000 1.099 354 G CA 0.201 45.272 45.100 -0.049 0.000 0.919 354 G HN 1.036 nan 8.290 nan 0.000 0.496 355 V N -0.827 119.078 119.914 -0.014 0.000 3.182 355 V HA 0.607 4.727 4.120 -0.000 0.000 0.308 355 V C -1.063 175.034 176.094 0.004 0.000 1.240 355 V CA -0.813 61.487 62.300 0.001 0.000 1.063 355 V CB 1.853 33.700 31.823 0.040 0.000 1.076 355 V HN 0.019 nan 8.190 nan 0.000 0.446 356 P HA -0.217 nan 4.420 nan 0.000 0.214 356 P C 1.503 178.807 177.300 0.007 0.000 1.164 356 P CA 2.431 65.534 63.100 0.004 0.000 0.942 356 P CB -0.137 31.581 31.700 0.031 0.000 0.791 357 G N -0.177 108.645 108.800 0.038 0.000 2.446 357 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.217 357 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.217 357 G C 1.402 176.312 174.900 0.016 0.000 1.168 357 G CA 2.006 47.128 45.100 0.036 0.000 0.771 357 G HN 0.505 nan 8.290 nan 0.000 0.551 358 A N 0.499 123.344 122.820 0.042 0.000 2.731 358 A HA -0.270 4.050 4.320 -0.000 0.000 0.296 358 A C 2.765 180.351 177.584 0.003 0.000 1.475 358 A CA 3.352 55.415 52.037 0.044 0.000 1.120 358 A CB -1.630 17.380 19.000 0.017 0.000 0.542 358 A HN 1.592 nan 8.150 nan 0.000 0.407 359 G N -1.670 107.083 108.800 -0.078 0.000 2.859 359 G HA2 -0.130 3.830 3.960 -0.000 0.000 0.236 359 G HA3 -0.130 3.830 3.960 -0.000 0.000 0.236 359 G C 2.006 176.890 174.900 -0.026 0.000 1.207 359 G CA 3.601 48.606 45.100 -0.158 0.000 0.769 359 G HN 2.028 nan 8.290 nan 0.000 0.674 360 A N 0.622 123.415 122.820 -0.046 0.000 1.896 360 A HA -0.173 4.147 4.320 -0.000 0.000 0.220 360 A C 2.519 180.226 177.584 0.206 0.000 1.206 360 A CA 2.220 54.340 52.037 0.139 0.000 0.647 360 A CB -0.595 18.451 19.000 0.077 0.000 0.828 360 A HN 0.556 nan 8.150 nan 0.000 0.455 361 I N -0.833 119.819 120.570 0.137 0.000 2.151 361 I HA -0.310 3.860 4.170 -0.000 0.000 0.243 361 I C 2.188 178.390 176.117 0.141 0.000 1.080 361 I CA 1.483 62.862 61.300 0.132 0.000 1.339 361 I CB -0.401 37.633 38.000 0.057 0.000 1.039 361 I HN 0.306 nan 8.210 nan 0.000 0.409 362 M N -0.155 119.522 119.600 0.128 0.000 2.686 362 M HA -0.053 4.427 4.480 -0.000 0.000 0.246 362 M C 2.046 178.445 176.300 0.165 0.000 1.096 362 M CA 0.856 56.233 55.300 0.128 0.000 1.076 362 M CB -0.966 31.699 32.600 0.108 0.000 1.504 362 M HN 0.269 nan 8.290 nan 0.000 0.524 363 L N 0.383 121.738 121.223 0.221 0.000 2.044 363 L HA -0.099 4.241 4.340 -0.000 0.000 0.205 363 L C 2.288 179.278 176.870 0.200 0.000 1.075 363 L CA 1.828 56.813 54.840 0.242 0.000 0.747 363 L CB -0.839 41.420 42.059 0.333 0.000 0.903 363 L HN 0.283 nan 8.230 nan 0.000 0.435 364 C N -0.339 119.084 119.300 0.206 0.000 2.396 364 C HA -0.265 4.194 4.460 -0.000 0.000 0.277 364 C C 2.829 177.982 174.990 0.272 0.000 1.231 364 C CA 1.381 60.476 59.018 0.128 0.000 1.775 364 C CB -1.084 26.743 27.740 0.144 0.000 2.036 364 C HN 0.705 nan 8.230 nan 0.000 0.484 365 M N 0.406 120.137 119.600 0.219 0.000 2.108 365 M HA -0.160 4.320 4.480 -0.000 0.000 0.261 365 M C 2.186 178.580 176.300 0.157 0.000 1.066 365 M CA 1.958 57.368 55.300 0.184 0.000 1.107 365 M CB -0.295 32.379 32.600 0.123 0.000 1.356 365 M HN 0.300 nan 8.290 nan 0.000 0.406 366 V N 0.562 120.550 119.914 0.123 0.000 2.871 366 V HA -0.144 3.976 4.120 -0.000 0.000 0.256 366 V C 1.829 177.951 176.094 0.045 0.000 1.082 366 V CA 1.186 63.535 62.300 0.083 0.000 1.105 366 V CB -0.231 31.637 31.823 0.075 0.000 0.713 366 V HN 0.537 nan 8.190 nan 0.000 0.473 367 L N -0.970 120.266 121.223 0.022 0.000 2.102 367 L HA 0.007 4.347 4.340 -0.000 0.000 0.202 367 L C 2.618 179.435 176.870 -0.088 0.000 1.076 367 L CA 1.256 56.050 54.840 -0.076 0.000 0.761 367 L CB -1.000 40.962 42.059 -0.163 0.000 0.921 367 L HN 0.343 nan 8.230 nan 0.000 0.444 368 H N 0.211 119.284 119.070 0.005 0.000 2.460 368 H HA -0.063 4.493 4.556 -0.000 0.000 0.297 368 H C 1.177 176.520 175.328 0.026 0.000 1.103 368 H CA 1.155 57.210 56.048 0.012 0.000 1.292 368 H CB -0.148 29.618 29.762 0.005 0.000 1.376 368 H HN 0.340 nan 8.280 nan 0.000 0.531 369 S N -0.329 115.450 115.700 0.131 0.000 2.480 369 S HA 0.366 4.836 4.470 -0.000 0.000 0.286 369 S C 0.875 175.506 174.600 0.052 0.000 1.180 369 S CA -0.220 58.034 58.200 0.090 0.000 1.075 369 S CB 2.549 65.801 63.200 0.085 0.000 0.996 369 S HN 0.127 nan 8.310 nan 0.000 0.487 370 V N 1.046 120.988 119.914 0.046 0.000 4.485 370 V HA -0.113 4.007 4.120 -0.000 0.000 0.258 370 V C 1.089 177.208 176.094 0.041 0.000 0.560 370 V CA 0.572 62.887 62.300 0.024 0.000 0.954 370 V CB -2.152 29.660 31.823 -0.018 0.000 0.890 370 V HN 2.113 nan 8.190 nan 0.000 1.354 371 G N 0.673 109.516 108.800 0.071 0.000 2.352 371 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.283 371 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.283 371 G C -0.190 174.799 174.900 0.148 0.000 0.946 371 G CA 0.706 45.878 45.100 0.120 0.000 1.317 371 G HN 1.237 nan 8.290 nan 0.000 0.478 372 L N 0.749 121.997 121.223 0.041 0.000 2.613 372 L HA 0.214 4.554 4.340 -0.000 0.000 0.275 372 L C -2.334 174.452 176.870 -0.141 0.000 1.453 372 L CA -1.726 53.086 54.840 -0.046 0.000 0.725 372 L CB 1.669 43.629 42.059 -0.165 0.000 1.013 372 L HN 0.021 nan 8.230 nan 0.000 0.520 373 P HA 0.008 nan 4.420 nan 0.000 0.262 373 P C 0.682 177.898 177.300 -0.140 0.000 1.182 373 P CA -0.093 62.931 63.100 -0.126 0.000 0.761 373 P CB 0.712 32.454 31.700 0.069 0.000 0.795 374 L N 2.537 123.614 121.223 -0.244 0.000 2.551 374 L HA -0.066 4.274 4.340 -0.000 0.000 0.228 374 L C 2.109 178.936 176.870 -0.071 0.000 1.153 374 L CA 1.609 56.333 54.840 -0.194 0.000 0.851 374 L CB -1.865 40.000 42.059 -0.325 0.000 0.959 374 L HN 0.408 nan 8.230 nan 0.000 0.451 375 T N -4.270 110.276 114.554 -0.013 0.000 3.163 375 T HA -0.066 4.284 4.350 -0.000 0.000 0.260 375 T C 0.660 175.383 174.700 0.039 0.000 1.156 375 T CA 0.061 62.173 62.100 0.021 0.000 1.072 375 T CB -0.430 68.466 68.868 0.046 0.000 0.937 375 T HN 0.169 nan 8.240 nan 0.000 0.528 376 D N 1.561 121.988 120.400 0.045 0.000 2.233 376 D HA 0.333 4.973 4.640 -0.000 0.000 0.240 376 D C -1.710 174.628 176.300 0.064 0.000 1.074 376 D CA -2.739 51.313 54.000 0.087 0.000 0.838 376 D CB 2.023 42.926 40.800 0.171 0.000 1.124 376 D HN -0.144 nan 8.370 nan 0.000 0.475 377 P HA -0.232 nan 4.420 nan 0.000 0.218 377 P C 0.814 178.156 177.300 0.069 0.000 1.165 377 P CA 1.450 64.592 63.100 0.071 0.000 0.922 377 P CB 0.278 32.026 31.700 0.081 0.000 0.794 378 N N -1.016 117.729 118.700 0.075 0.000 2.039 378 N HA -0.109 4.630 4.740 -0.000 0.000 0.193 378 N C 1.843 177.340 175.510 -0.021 0.000 1.044 378 N CA 1.103 54.175 53.050 0.036 0.000 0.847 378 N CB -1.510 37.003 38.487 0.042 0.000 1.030 378 N HN -0.030 nan 8.380 nan 0.000 0.422 379 V N 1.710 121.566 119.914 -0.096 0.000 2.252 379 V HA -0.264 3.855 4.120 -0.000 0.000 0.249 379 V C 2.394 178.490 176.094 0.002 0.000 1.056 379 V CA 2.074 64.299 62.300 -0.125 0.000 1.022 379 V CB -1.198 30.512 31.823 -0.189 0.000 0.641 379 V HN 0.376 nan 8.190 nan 0.000 0.445 380 A N -0.375 122.451 122.820 0.010 0.000 2.019 380 A HA -0.065 4.255 4.320 -0.000 0.000 0.219 380 A C 2.355 180.014 177.584 0.124 0.000 1.164 380 A CA 2.014 54.084 52.037 0.056 0.000 0.644 380 A CB -0.618 18.394 19.000 0.020 0.000 0.805 380 A HN 0.611 nan 8.150 nan 0.000 0.449 381 A N -0.356 122.525 122.820 0.102 0.000 1.929 381 A HA 0.293 4.613 4.320 -0.000 0.000 0.216 381 A C 2.448 180.126 177.584 0.158 0.000 1.176 381 A CA 1.710 53.825 52.037 0.131 0.000 0.628 381 A CB -0.810 18.266 19.000 0.127 0.000 0.816 381 A HN 0.887 nan 8.150 nan 0.000 0.444 382 A N -1.316 121.590 122.820 0.143 0.000 1.840 382 A HA -0.041 4.279 4.320 -0.000 0.000 0.214 382 A C 2.102 179.834 177.584 0.246 0.000 1.198 382 A CA 1.472 53.626 52.037 0.194 0.000 0.608 382 A CB -1.057 18.017 19.000 0.123 0.000 0.839 382 A HN 0.672 nan 8.150 nan 0.000 0.443 383 Y N 1.000 121.352 120.300 0.086 0.000 2.132 383 Y HA -0.294 4.256 4.550 -0.000 0.000 0.280 383 Y C 2.514 178.463 175.900 0.083 0.000 1.193 383 Y CA 1.781 59.923 58.100 0.069 0.000 1.157 383 Y CB -0.433 38.046 38.460 0.032 0.000 0.966 383 Y HN 0.310 nan 8.280 nan 0.000 0.511 384 A N -0.183 122.770 122.820 0.221 0.000 2.131 384 A HA -0.189 4.131 4.320 -0.000 0.000 0.220 384 A C 2.138 179.756 177.584 0.058 0.000 1.158 384 A CA 1.838 53.961 52.037 0.143 0.000 0.665 384 A CB -0.714 18.382 19.000 0.161 0.000 0.795 384 A HN 0.663 nan 8.150 nan 0.000 0.460 385 M N -1.081 118.554 119.600 0.058 0.000 2.191 385 M HA 0.082 4.562 4.480 -0.000 0.000 0.262 385 M C 1.993 178.224 176.300 -0.114 0.000 1.083 385 M CA 1.256 56.572 55.300 0.027 0.000 1.154 385 M CB -0.393 32.296 32.600 0.148 0.000 1.344 385 M HN 0.315 nan 8.290 nan 0.000 0.431 386 I N 0.529 120.959 120.570 -0.233 0.000 2.286 386 I HA -0.260 3.910 4.170 -0.000 0.000 0.248 386 I C 2.368 178.362 176.117 -0.205 0.000 1.115 386 I CA 0.844 61.944 61.300 -0.334 0.000 1.392 386 I CB -0.414 37.330 38.000 -0.427 0.000 1.065 386 I HN 0.261 nan 8.210 nan 0.000 0.418 387 L N 1.211 122.284 121.223 -0.249 0.000 2.265 387 L HA -0.044 4.296 4.340 -0.000 0.000 0.215 387 L C 2.127 178.980 176.870 -0.028 0.000 1.117 387 L CA 1.702 56.452 54.840 -0.150 0.000 0.782 387 L CB -0.862 41.086 42.059 -0.184 0.000 0.914 387 L HN 0.146 nan 8.230 nan 0.000 0.441 388 G N -0.150 108.614 108.800 -0.061 0.000 2.494 388 G HA2 -0.069 3.891 3.960 -0.000 0.000 0.216 388 G HA3 -0.069 3.891 3.960 -0.000 0.000 0.216 388 G C 1.311 176.175 174.900 -0.062 0.000 1.140 388 G CA 0.679 45.740 45.100 -0.065 0.000 0.801 388 G HN 0.590 nan 8.290 nan 0.000 0.536 389 I N -2.297 118.235 120.570 -0.063 0.000 3.914 389 I HA 0.342 4.512 4.170 -0.000 0.000 0.333 389 I C 1.269 177.376 176.117 -0.016 0.000 1.449 389 I CA -0.083 61.190 61.300 -0.045 0.000 1.135 389 I CB 0.491 38.454 38.000 -0.062 0.000 1.073 389 I HN -0.166 nan 8.210 nan 0.000 0.401 390 D N 2.972 123.369 120.400 -0.005 0.000 2.103 390 D HA -0.252 4.387 4.640 -0.000 0.000 0.190 390 D C 2.207 178.500 176.300 -0.012 0.000 0.997 390 D CA 2.445 56.458 54.000 0.022 0.000 0.833 390 D CB 0.184 40.998 40.800 0.024 0.000 0.961 390 D HN 0.424 nan 8.370 nan 0.000 0.447 391 A N 1.101 123.911 122.820 -0.015 0.000 1.909 391 A HA -0.263 4.057 4.320 -0.000 0.000 0.221 391 A C 2.427 179.989 177.584 -0.037 0.000 1.223 391 A CA 2.341 54.358 52.037 -0.032 0.000 0.658 391 A CB -0.974 18.011 19.000 -0.025 0.000 0.831 391 A HN 0.414 nan 8.150 nan 0.000 0.462 392 I N -0.294 120.277 120.570 0.002 0.000 2.127 392 I HA -0.252 3.918 4.170 -0.000 0.000 0.241 392 I C 2.557 178.739 176.117 0.107 0.000 1.075 392 I CA 1.521 62.855 61.300 0.056 0.000 1.334 392 I CB -1.538 36.510 38.000 0.080 0.000 1.040 392 I HN 0.334 nan 8.210 nan 0.000 0.405 393 L N 0.197 121.464 121.223 0.072 0.000 2.141 393 L HA -0.201 4.139 4.340 -0.000 0.000 0.209 393 L C 2.333 179.147 176.870 -0.093 0.000 1.094 393 L CA 1.190 56.041 54.840 0.018 0.000 0.763 393 L CB -0.670 41.475 42.059 0.144 0.000 0.908 393 L HN 0.252 nan 8.230 nan 0.000 0.437 394 D N 0.532 120.858 120.400 -0.123 0.000 2.123 394 D HA -0.210 4.430 4.640 -0.000 0.000 0.196 394 D C 2.249 178.440 176.300 -0.182 0.000 0.992 394 D CA 1.546 55.431 54.000 -0.190 0.000 0.833 394 D CB 0.054 40.758 40.800 -0.161 0.000 0.954 394 D HN 0.200 nan 8.370 nan 0.000 0.455 395 M N -0.233 119.235 119.600 -0.221 0.000 2.084 395 M HA -0.050 4.430 4.480 -0.000 0.000 0.259 395 M C 2.458 178.588 176.300 -0.284 0.000 1.072 395 M CA 1.936 56.961 55.300 -0.458 0.000 1.107 395 M CB -0.791 31.293 32.600 -0.859 0.000 1.299 395 M HN 0.095 nan 8.290 nan 0.000 0.413 396 G N -0.228 108.587 108.800 0.025 0.000 2.470 396 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.220 396 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.220 396 G C 1.548 176.483 174.900 0.057 0.000 1.121 396 G CA 0.722 46.007 45.100 0.308 0.000 0.766 396 G HN 0.385 nan 8.290 nan 0.000 0.553 397 R N -0.079 120.381 120.500 -0.068 0.000 2.089 397 R HA -0.075 4.265 4.340 -0.000 0.000 0.222 397 R C 2.659 178.953 176.300 -0.009 0.000 1.151 397 R CA 1.986 58.046 56.100 -0.067 0.000 0.908 397 R CB -0.950 29.262 30.300 -0.147 0.000 0.813 397 R HN 0.217 nan 8.270 nan 0.000 0.440 398 T N 1.798 116.328 114.554 -0.040 0.000 2.684 398 T HA -0.317 4.033 4.350 -0.000 0.000 0.267 398 T C 1.698 176.428 174.700 0.050 0.000 1.032 398 T CA 2.142 64.236 62.100 -0.010 0.000 1.155 398 T CB -0.307 68.535 68.868 -0.045 0.000 0.857 398 T HN 0.388 nan 8.240 nan 0.000 0.457 399 M N 0.636 120.301 119.600 0.108 0.000 2.117 399 M HA -0.120 4.360 4.480 -0.000 0.000 0.262 399 M C 2.137 178.494 176.300 0.096 0.000 1.065 399 M CA 1.608 57.003 55.300 0.159 0.000 1.114 399 M CB -0.230 32.559 32.600 0.314 0.000 1.361 399 M HN 0.127 nan 8.290 nan 0.000 0.408 400 V N 1.498 121.467 119.914 0.092 0.000 2.427 400 V HA -0.258 3.862 4.120 -0.000 0.000 0.248 400 V C 1.920 178.074 176.094 0.100 0.000 1.051 400 V CA 1.776 64.118 62.300 0.071 0.000 1.048 400 V CB -1.267 30.630 31.823 0.123 0.000 0.666 400 V HN 0.522 nan 8.190 nan 0.000 0.456 401 N N 0.614 119.376 118.700 0.104 0.000 2.061 401 N HA -0.157 4.583 4.740 -0.000 0.000 0.193 401 N C 1.775 177.363 175.510 0.130 0.000 1.030 401 N CA 1.622 54.745 53.050 0.123 0.000 0.856 401 N CB -0.817 37.717 38.487 0.078 0.000 1.023 401 N HN 0.373 nan 8.380 nan 0.000 0.424 402 V N 0.991 120.957 119.914 0.088 0.000 2.261 402 V HA -0.210 3.910 4.120 -0.000 0.000 0.246 402 V C 2.234 178.375 176.094 0.077 0.000 1.047 402 V CA 1.937 64.284 62.300 0.078 0.000 1.015 402 V CB -1.126 30.728 31.823 0.052 0.000 0.642 402 V HN 0.344 nan 8.190 nan 0.000 0.446 403 T N 0.690 115.258 114.554 0.023 0.000 2.624 403 T HA -0.223 4.127 4.350 -0.000 0.000 0.268 403 T C 1.944 176.650 174.700 0.010 0.000 1.041 403 T CA 1.904 63.965 62.100 -0.066 0.000 1.159 403 T CB -0.937 67.757 68.868 -0.290 0.000 0.863 403 T HN 0.637 nan 8.240 nan 0.000 0.434 404 G N 1.725 110.620 108.800 0.158 0.000 2.469 404 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.220 404 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.220 404 G C 1.245 176.378 174.900 0.387 0.000 1.136 404 G CA 1.385 46.836 45.100 0.586 0.000 0.759 404 G HN 0.427 nan 8.290 nan 0.000 0.562 405 D N 0.620 121.188 120.400 0.281 0.000 2.077 405 D HA -0.090 4.550 4.640 -0.000 0.000 0.193 405 D C 2.709 179.074 176.300 0.108 0.000 0.989 405 D CA 0.661 54.807 54.000 0.243 0.000 0.831 405 D CB -0.661 40.274 40.800 0.225 0.000 0.979 405 D HN 0.310 nan 8.370 nan 0.000 0.449 406 L N 0.580 121.874 121.223 0.118 0.000 1.990 406 L HA -0.186 4.154 4.340 -0.000 0.000 0.213 406 L C 2.441 179.404 176.870 0.155 0.000 1.072 406 L CA 1.527 56.436 54.840 0.115 0.000 0.755 406 L CB -1.027 41.098 42.059 0.109 0.000 0.889 406 L HN 0.047 nan 8.230 nan 0.000 0.432 407 T N -0.478 114.202 114.554 0.211 0.000 2.946 407 T HA -0.126 4.224 4.350 -0.000 0.000 0.271 407 T C 1.601 176.189 174.700 -0.188 0.000 1.104 407 T CA 1.171 63.326 62.100 0.091 0.000 1.114 407 T CB -0.326 68.728 68.868 0.309 0.000 0.867 407 T HN 0.635 nan 8.240 nan 0.000 0.513 408 G N 0.521 109.061 108.800 -0.434 0.000 2.559 408 G HA2 -0.041 3.919 3.960 -0.000 0.000 0.209 408 G HA3 -0.041 3.919 3.960 -0.000 0.000 0.209 408 G C 1.645 176.168 174.900 -0.628 0.000 1.151 408 G CA 0.545 44.907 45.100 -1.230 0.000 0.824 408 G HN 0.398 nan 8.290 nan 0.000 0.543 409 T N 2.060 116.445 114.554 -0.282 0.000 2.708 409 T HA -0.025 4.325 4.350 -0.000 0.000 0.266 409 T C 2.817 177.455 174.700 -0.104 0.000 1.037 409 T CA 1.597 63.631 62.100 -0.110 0.000 1.146 409 T CB -0.374 68.507 68.868 0.022 0.000 0.865 409 T HN 0.322 nan 8.240 nan 0.000 0.435 410 A N 1.167 123.947 122.820 -0.067 0.000 1.908 410 A HA -0.072 4.247 4.320 -0.000 0.000 0.218 410 A C 2.148 179.650 177.584 -0.136 0.000 1.181 410 A CA 1.466 53.487 52.037 -0.026 0.000 0.627 410 A CB -0.716 18.369 19.000 0.141 0.000 0.818 410 A HN 0.427 nan 8.150 nan 0.000 0.445 411 I N -0.886 119.514 120.570 -0.283 0.000 2.439 411 I HA -0.120 4.050 4.170 -0.000 0.000 0.251 411 I C 2.335 178.169 176.117 -0.471 0.000 1.139 411 I CA 0.897 61.892 61.300 -0.508 0.000 1.438 411 I CB -0.538 37.025 38.000 -0.728 0.000 1.085 411 I HN 0.184 nan 8.210 nan 0.000 0.427 412 V N 0.532 120.242 119.914 -0.340 0.000 2.548 412 V HA -0.172 3.948 4.120 -0.000 0.000 0.249 412 V C 2.541 178.555 176.094 -0.134 0.000 1.055 412 V CA 1.708 63.875 62.300 -0.222 0.000 1.065 412 V CB -0.437 31.289 31.823 -0.162 0.000 0.681 412 V HN 0.392 nan 8.190 nan 0.000 0.462 413 A N 0.231 122.987 122.820 -0.107 0.000 1.898 413 A HA -0.210 4.110 4.320 -0.000 0.000 0.216 413 A C 2.171 179.727 177.584 -0.046 0.000 1.181 413 A CA 2.071 54.076 52.037 -0.052 0.000 0.620 413 A CB -0.699 18.287 19.000 -0.023 0.000 0.819 413 A HN 0.552 nan 8.150 nan 0.000 0.442 414 K N 0.481 120.843 120.400 -0.064 0.000 2.089 414 K HA -0.165 4.155 4.320 -0.000 0.000 0.210 414 K C 1.626 178.234 176.600 0.013 0.000 1.048 414 K CA 2.481 58.759 56.287 -0.014 0.000 0.926 414 K CB -0.751 31.747 32.500 -0.003 0.000 0.714 414 K HN 0.573 nan 8.250 nan 0.000 0.448 415 T N -2.612 111.932 114.554 -0.016 0.000 3.145 415 T HA 0.209 4.559 4.350 -0.000 0.000 0.255 415 T C 0.281 174.978 174.700 -0.006 0.000 1.039 415 T CA -0.490 61.621 62.100 0.018 0.000 0.928 415 T CB 0.154 69.048 68.868 0.043 0.000 1.029 415 T HN 0.157 nan 8.240 nan 0.000 0.554 416 E N 0.000 120.187 120.200 -0.022 0.000 2.725 416 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 416 E CA 0.000 56.383 56.400 -0.028 0.000 0.976 416 E CB 0.000 29.673 29.700 -0.045 0.000 0.812 416 E HN 0.000 nan 8.360 nan 0.000 0.440