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 1ej6_1_E DATA FIRST_RESID 2 DATA SEQUENCE ARAAFLFKTV GFGGLQNVPI NDELSSHLLR AGNSPWQLTQ FLDWISLGRG DATA SEQUENCE LATSALVPTA GSRYYQMSCL LSGTLQIPFR PNHRWGDIRF LRLVWSAPTL DATA SEQUENCE DGLVVAPPQV LAQPALQAQA DRVYDCDDYP FLARDPRFKH RVYQQLSAVT DATA SEQUENCE LLNLTGFGPI SYVRVDEDMW SGDVNQLLMN YFGHTFAEIA YTLCQASANR DATA SEQUENCE PWEHDGTYAR MTQIILSLFW LSYVGVIHQQ NTYRTFYFQC NRRGDAAEVW DATA SEQUENCE ILSCSLNHSA QIRPGNRSLF VMPTSPDWNM DVNLILSSTL TGCLCSGSQL DATA SEQUENCE PLIDNNSVPA VSRNIHGWTG RAGNQLHGFQ VRRMVTEFCD RLRRDGVMTQ DATA SEQUENCE AQQNQIEALA DQTQQFKRDK LEAWAREDDQ YNQANPNSTM FRTKPFTNAQ DATA SEQUENCE WGRGNTGATS AAIAALI 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.398 177.584 -0.310 0.000 1.274 2 A CA 0.000 51.760 52.037 -0.462 0.000 0.836 2 A CB 0.000 18.553 19.000 -0.744 0.000 0.831 3 R N 0.921 121.252 120.500 -0.283 0.000 2.566 3 R HA 0.239 4.579 4.340 0.000 0.000 0.273 3 R C 0.894 176.893 176.300 -0.502 0.000 0.981 3 R CA 1.301 57.149 56.100 -0.420 0.000 1.091 3 R CB 0.487 30.500 30.300 -0.477 0.000 0.924 3 R HN 1.163 nan 8.270 nan 0.000 0.411 4 A N 3.299 125.748 122.820 -0.619 0.000 2.474 4 A HA 0.345 4.665 4.320 0.000 0.000 0.221 4 A C -0.204 176.992 177.584 -0.647 0.000 1.298 4 A CA 0.409 52.142 52.037 -0.507 0.000 1.008 4 A CB 0.688 19.530 19.000 -0.262 0.000 1.217 4 A HN 0.684 nan 8.150 nan 0.000 0.553 5 A N 0.267 122.581 122.820 -0.843 0.000 2.291 5 A HA 0.709 5.029 4.320 0.000 0.000 0.311 5 A C -1.192 175.969 177.584 -0.706 0.000 1.224 5 A CA -0.350 51.335 52.037 -0.587 0.000 0.821 5 A CB -0.042 18.613 19.000 -0.574 0.000 1.172 5 A HN 0.291 nan 8.150 nan 0.000 0.494 6 F N 3.675 123.562 119.950 -0.105 0.000 2.311 6 F HA 0.569 5.096 4.527 0.000 0.000 0.371 6 F C -0.498 175.491 175.800 0.316 0.000 1.083 6 F CA -0.609 57.338 58.000 -0.089 0.000 1.113 6 F CB 0.823 39.560 39.000 -0.439 0.000 1.349 6 F HN 0.303 nan 8.300 nan 0.000 0.470 7 L N 3.278 124.872 121.223 0.618 0.000 2.371 7 L HA 0.788 5.128 4.340 0.000 0.000 0.262 7 L C -0.601 176.551 176.870 0.471 0.000 1.006 7 L CA -1.240 53.837 54.840 0.394 0.000 0.818 7 L CB 1.474 43.646 42.059 0.188 0.000 1.354 7 L HN 0.367 nan 8.230 nan 0.000 0.415 8 F N -1.756 118.271 119.950 0.128 0.000 2.620 8 F HA 0.812 5.339 4.527 0.000 0.000 0.320 8 F C -0.606 175.111 175.800 -0.138 0.000 1.069 8 F CA -1.103 56.838 58.000 -0.099 0.000 0.953 8 F CB 1.832 40.760 39.000 -0.120 0.000 1.322 8 F HN 0.461 nan 8.300 nan 0.000 0.479 9 K N 1.862 122.237 120.400 -0.041 0.000 2.450 9 K HA 0.371 4.691 4.320 0.000 0.000 0.257 9 K C -0.371 176.246 176.600 0.027 0.000 0.953 9 K CA -0.411 55.820 56.287 -0.094 0.000 0.844 9 K CB 1.535 33.922 32.500 -0.188 0.000 1.103 9 K HN 1.037 nan 8.250 nan 0.000 0.429 10 T N 0.206 114.807 114.554 0.077 0.000 2.748 10 T HA 0.082 4.432 4.350 0.000 0.000 0.304 10 T C 0.405 175.090 174.700 -0.025 0.000 1.041 10 T CA -0.715 61.431 62.100 0.076 0.000 1.033 10 T CB 1.109 70.039 68.868 0.103 0.000 0.995 10 T HN 0.328 nan 8.240 nan 0.000 0.536 11 V N 0.639 120.533 119.914 -0.034 0.000 2.953 11 V HA 0.672 4.792 4.120 0.000 0.000 0.304 11 V C 0.831 176.843 176.094 -0.136 0.000 1.073 11 V CA 0.189 62.467 62.300 -0.037 0.000 1.064 11 V CB 0.781 32.612 31.823 0.013 0.000 1.047 11 V HN 1.277 nan 8.190 nan 0.000 0.478 12 G N 3.105 111.839 108.800 -0.110 0.000 2.434 12 G HA2 0.571 4.531 3.960 0.000 0.000 0.330 12 G HA3 0.571 4.531 3.960 0.000 0.000 0.330 12 G C -1.018 173.822 174.900 -0.100 0.000 1.155 12 G CA -0.682 44.264 45.100 -0.256 0.000 0.917 12 G HN 0.535 nan 8.290 nan 0.000 0.493 13 F N 0.121 120.150 119.950 0.132 0.000 2.429 13 F HA 0.390 4.917 4.527 0.000 0.000 0.348 13 F C 1.489 177.410 175.800 0.202 0.000 1.109 13 F CA -0.732 57.375 58.000 0.177 0.000 1.232 13 F CB 1.136 40.214 39.000 0.130 0.000 1.157 13 F HN 0.441 nan 8.300 nan 0.000 0.564 14 G N 0.687 109.801 108.800 0.524 0.000 3.374 14 G HA2 0.385 4.345 3.960 0.000 0.000 0.252 14 G HA3 0.385 4.345 3.960 0.000 0.000 0.252 14 G C 1.045 176.158 174.900 0.354 0.000 1.326 14 G CA 0.107 45.446 45.100 0.399 0.000 1.133 14 G HN 1.288 nan 8.290 nan 0.000 0.528 15 G N -0.905 108.075 108.800 0.301 0.000 2.163 15 G HA2 -0.224 3.736 3.960 0.000 0.000 0.213 15 G HA3 -0.224 3.736 3.960 0.000 0.000 0.213 15 G C 0.326 175.324 174.900 0.163 0.000 0.991 15 G CA -0.011 45.211 45.100 0.203 0.000 0.653 15 G HN 0.468 nan 8.290 nan 0.000 0.518 16 L N -0.287 121.049 121.223 0.188 0.000 2.431 16 L HA 0.496 4.836 4.340 0.000 0.000 0.260 16 L C 1.406 178.200 176.870 -0.128 0.000 1.098 16 L CA -0.730 54.115 54.840 0.008 0.000 0.800 16 L CB 0.879 42.912 42.059 -0.043 0.000 1.210 16 L HN 0.092 nan 8.230 nan 0.000 0.465 17 Q N 1.136 120.786 119.800 -0.250 0.000 2.211 17 Q HA 0.176 4.516 4.340 0.000 0.000 0.231 17 Q C -1.262 174.362 176.000 -0.626 0.000 0.865 17 Q CA -0.172 55.417 55.803 -0.358 0.000 0.997 17 Q CB 0.134 28.766 28.738 -0.178 0.000 1.101 17 Q HN 0.658 nan 8.270 nan 0.000 0.468 18 N N -3.488 114.639 118.700 -0.956 0.000 3.265 18 N HA 0.108 4.848 4.740 0.000 0.000 0.235 18 N C -0.921 174.269 175.510 -0.534 0.000 1.343 18 N CA -0.782 51.781 53.050 -0.812 0.000 0.904 18 N CB 0.672 38.994 38.487 -0.276 0.000 1.492 18 N HN -0.231 nan 8.380 nan 0.000 0.504 19 V N 0.641 120.640 119.914 0.142 0.000 2.644 19 V HA 0.126 4.246 4.120 0.000 0.000 0.305 19 V C -1.630 174.618 176.094 0.258 0.000 1.053 19 V CA -0.279 62.333 62.300 0.519 0.000 1.186 19 V CB 0.101 32.216 31.823 0.487 0.000 0.895 19 V HN 0.715 nan 8.190 nan 0.000 0.490 20 P HA 0.219 nan 4.420 nan 0.000 0.251 20 P C -0.315 177.057 177.300 0.121 0.000 1.624 20 P CA 0.840 64.062 63.100 0.205 0.000 0.907 20 P CB -0.203 31.804 31.700 0.513 0.000 1.867 21 I N -0.066 120.543 120.570 0.064 0.000 2.842 21 I HA 0.311 4.481 4.170 0.000 0.000 0.297 21 I C -1.128 174.966 176.117 -0.039 0.000 1.380 21 I CA -0.879 60.428 61.300 0.011 0.000 1.018 21 I CB 2.265 40.267 38.000 0.004 0.000 1.311 21 I HN 0.022 nan 8.210 nan 0.000 0.439 22 N N 3.695 122.355 118.700 -0.067 0.000 3.184 22 N HA 0.377 5.117 4.740 0.000 0.000 0.353 22 N C -0.437 174.993 175.510 -0.132 0.000 1.441 22 N CA -0.815 52.176 53.050 -0.098 0.000 0.723 22 N CB 0.901 39.366 38.487 -0.037 0.000 1.547 22 N HN 0.397 nan 8.380 nan 0.000 0.624 23 D N 0.294 120.620 120.400 -0.124 0.000 2.075 23 D HA -0.171 4.469 4.640 0.000 0.000 0.196 23 D C 1.508 177.754 176.300 -0.090 0.000 0.985 23 D CA 1.266 55.192 54.000 -0.124 0.000 0.834 23 D CB -0.427 40.310 40.800 -0.105 0.000 0.987 23 D HN 0.698 nan 8.370 nan 0.000 0.452 24 E N 0.428 120.586 120.200 -0.071 0.000 2.113 24 E HA -0.233 4.117 4.350 0.000 0.000 0.210 24 E C 2.382 178.943 176.600 -0.064 0.000 1.040 24 E CA 1.175 57.536 56.400 -0.064 0.000 0.847 24 E CB -0.218 29.435 29.700 -0.079 0.000 0.755 24 E HN 0.202 nan 8.360 nan 0.000 0.459 25 L N 0.426 121.596 121.223 -0.087 0.000 1.988 25 L HA -0.194 4.146 4.340 0.000 0.000 0.207 25 L C 2.912 179.751 176.870 -0.051 0.000 1.071 25 L CA 1.541 56.332 54.840 -0.082 0.000 0.744 25 L CB -0.617 41.386 42.059 -0.092 0.000 0.893 25 L HN 0.289 nan 8.230 nan 0.000 0.433 26 S N -1.143 114.508 115.700 -0.082 0.000 2.374 26 S HA -0.215 4.255 4.470 0.000 0.000 0.227 26 S C 2.063 176.611 174.600 -0.087 0.000 1.037 26 S CA 1.646 59.787 58.200 -0.099 0.000 1.024 26 S CB -0.667 62.453 63.200 -0.135 0.000 0.861 26 S HN 0.328 nan 8.310 nan 0.000 0.456 27 S N 0.973 116.632 115.700 -0.070 0.000 2.368 27 S HA -0.150 4.320 4.470 0.000 0.000 0.225 27 S C 1.859 176.440 174.600 -0.033 0.000 1.030 27 S CA 1.235 59.399 58.200 -0.060 0.000 0.999 27 S CB -0.749 62.422 63.200 -0.048 0.000 0.844 27 S HN 0.728 nan 8.310 nan 0.000 0.459 28 H N 1.217 120.231 119.070 -0.093 0.000 2.521 28 H HA 0.106 4.662 4.556 0.000 0.000 0.286 28 H C 1.746 177.022 175.328 -0.087 0.000 1.034 28 H CA 0.774 56.773 56.048 -0.082 0.000 1.278 28 H CB -0.166 29.547 29.762 -0.081 0.000 1.386 28 H HN 0.335 nan 8.280 nan 0.000 0.567 29 L N 0.527 121.745 121.223 -0.008 0.000 2.109 29 L HA -0.067 4.273 4.340 0.000 0.000 0.207 29 L C 1.188 177.977 176.870 -0.136 0.000 1.086 29 L CA 0.292 55.091 54.840 -0.069 0.000 0.760 29 L CB -0.218 41.773 42.059 -0.114 0.000 0.910 29 L HN 0.119 nan 8.230 nan 0.000 0.437 30 L N 1.309 122.448 121.223 -0.139 0.000 2.546 30 L HA -0.066 4.274 4.340 0.000 0.000 0.272 30 L C 1.700 178.497 176.870 -0.123 0.000 1.327 30 L CA 0.116 54.880 54.840 -0.127 0.000 1.199 30 L CB -0.510 41.480 42.059 -0.115 0.000 1.401 30 L HN 0.215 nan 8.230 nan 0.000 0.440 31 R N 2.071 122.503 120.500 -0.113 0.000 2.052 31 R HA 0.006 4.346 4.340 0.000 0.000 0.224 31 R C 1.881 178.153 176.300 -0.047 0.000 1.149 31 R CA 1.214 57.254 56.100 -0.099 0.000 0.962 31 R CB 0.055 30.311 30.300 -0.074 0.000 0.856 31 R HN 0.601 nan 8.270 nan 0.000 0.433 32 A N -0.224 122.587 122.820 -0.015 0.000 2.337 32 A HA 0.411 4.731 4.320 0.000 0.000 0.227 32 A C 0.360 177.951 177.584 0.012 0.000 1.259 32 A CA 0.551 52.597 52.037 0.014 0.000 0.870 32 A CB 0.155 19.185 19.000 0.049 0.000 0.927 32 A HN 0.593 nan 8.150 nan 0.000 0.497 33 G N -0.835 107.960 108.800 -0.009 0.000 2.340 33 G HA2 -0.046 3.914 3.960 0.000 0.000 0.282 33 G HA3 -0.046 3.914 3.960 0.000 0.000 0.282 33 G C -0.080 174.809 174.900 -0.018 0.000 1.312 33 G CA -0.112 44.986 45.100 -0.003 0.000 0.942 33 G HN 0.007 nan 8.290 nan 0.000 0.495 34 N N -0.136 118.562 118.700 -0.003 0.000 2.446 34 N HA 0.026 4.766 4.740 0.000 0.000 0.179 34 N C 1.046 176.551 175.510 -0.008 0.000 1.054 34 N CA 0.913 53.953 53.050 -0.017 0.000 0.905 34 N CB 0.426 38.916 38.487 0.005 0.000 0.973 34 N HN 0.438 nan 8.380 nan 0.000 0.448 35 S N 2.606 118.331 115.700 0.042 0.000 2.481 35 S HA 0.155 4.625 4.470 0.000 0.000 0.276 35 S C -1.676 172.904 174.600 -0.033 0.000 1.247 35 S CA -1.292 56.963 58.200 0.090 0.000 1.053 35 S CB 1.080 64.407 63.200 0.212 0.000 0.925 35 S HN 0.112 nan 8.310 nan 0.000 0.491 36 P HA 0.157 nan 4.420 nan 0.000 0.255 36 P C -0.120 176.980 177.300 -0.333 0.000 1.301 36 P CA 0.137 62.997 63.100 -0.399 0.000 0.817 36 P CB -0.178 31.154 31.700 -0.613 0.000 1.259 37 W N -0.191 121.213 121.300 0.174 0.000 3.103 37 W HA 0.283 4.943 4.660 0.000 0.000 0.325 37 W C 0.868 177.472 176.519 0.141 0.000 1.170 37 W CA -0.391 57.051 57.345 0.163 0.000 1.712 37 W CB -0.147 29.375 29.460 0.103 0.000 1.068 37 W HN -0.096 nan 8.180 nan 0.000 0.592 38 Q N 1.284 121.264 119.800 0.301 0.000 2.373 38 Q HA 0.061 4.401 4.340 0.000 0.000 0.255 38 Q C 1.277 177.415 176.000 0.229 0.000 0.980 38 Q CA -0.383 55.547 55.803 0.211 0.000 0.882 38 Q CB 1.372 30.200 28.738 0.151 0.000 1.249 38 Q HN 0.048 nan 8.270 nan 0.000 0.438 39 L N 2.227 123.533 121.223 0.138 0.000 1.994 39 L HA -0.146 4.194 4.340 0.000 0.000 0.208 39 L C 1.598 178.590 176.870 0.203 0.000 1.071 39 L CA 2.061 56.963 54.840 0.104 0.000 0.745 39 L CB -0.563 41.437 42.059 -0.098 0.000 0.892 39 L HN 0.749 nan 8.230 nan 0.000 0.431 40 T N 0.110 114.771 114.554 0.178 0.000 3.438 40 T HA -0.093 4.257 4.350 0.000 0.000 0.263 40 T C 1.414 176.222 174.700 0.180 0.000 1.199 40 T CA 0.474 62.704 62.100 0.217 0.000 1.019 40 T CB -0.348 68.638 68.868 0.197 0.000 0.942 40 T HN 0.412 nan 8.240 nan 0.000 0.562 41 Q N -0.867 119.056 119.800 0.206 0.000 2.392 41 Q HA 0.239 4.579 4.340 0.000 0.000 0.219 41 Q C 1.080 177.058 176.000 -0.038 0.000 0.895 41 Q CA 0.589 56.423 55.803 0.050 0.000 0.929 41 Q CB 0.165 28.890 28.738 -0.022 0.000 1.077 41 Q HN 0.592 nan 8.270 nan 0.000 0.532 42 F N -0.210 119.789 119.950 0.082 0.000 2.602 42 F HA 0.230 4.757 4.527 0.000 0.000 0.284 42 F C 0.701 176.640 175.800 0.232 0.000 1.111 42 F CA 0.263 58.352 58.000 0.147 0.000 1.405 42 F CB 0.667 39.753 39.000 0.143 0.000 1.121 42 F HN -0.178 nan 8.300 nan 0.000 0.603 43 L N 0.249 121.713 121.223 0.402 0.000 2.408 43 L HA 0.470 4.810 4.340 0.000 0.000 0.268 43 L C -1.305 175.785 176.870 0.367 0.000 0.986 43 L CA -1.230 53.826 54.840 0.359 0.000 0.820 43 L CB 1.836 44.110 42.059 0.358 0.000 1.303 43 L HN -0.102 nan 8.230 nan 0.000 0.411 44 D N -0.367 120.216 120.400 0.305 0.000 2.432 44 D HA 0.273 4.913 4.640 0.000 0.000 0.258 44 D C -1.075 175.439 176.300 0.358 0.000 1.146 44 D CA -0.473 53.696 54.000 0.282 0.000 1.015 44 D CB 1.298 42.199 40.800 0.167 0.000 1.107 44 D HN 0.564 nan 8.370 nan 0.000 0.529 45 W N 1.095 122.419 121.300 0.039 0.000 2.499 45 W HA 0.516 5.176 4.660 0.000 0.000 0.320 45 W C -2.012 174.474 176.519 -0.055 0.000 1.010 45 W CA -0.819 56.474 57.345 -0.087 0.000 1.267 45 W CB 0.614 29.897 29.460 -0.296 0.000 1.316 45 W HN 0.283 nan 8.180 nan 0.000 0.431 46 I N 3.903 124.085 120.570 -0.647 0.000 2.603 46 I HA 0.125 4.295 4.170 0.000 0.000 0.300 46 I C 1.173 176.751 176.117 -0.899 0.000 1.017 46 I CA -0.634 60.317 61.300 -0.581 0.000 1.098 46 I CB 2.370 40.202 38.000 -0.280 0.000 1.279 46 I HN 0.251 nan 8.210 nan 0.000 0.437 47 S N 5.790 121.134 115.700 -0.594 0.000 2.954 47 S HA 0.202 4.672 4.470 0.000 0.000 0.234 47 S C 0.243 174.656 174.600 -0.312 0.000 0.978 47 S CA -0.225 57.692 58.200 -0.471 0.000 1.045 47 S CB -1.191 61.871 63.200 -0.229 0.000 0.807 47 S HN 0.405 nan 8.310 nan 0.000 0.508 48 L N -1.647 119.378 121.223 -0.330 0.000 0.631 48 L HA -0.285 4.055 4.340 0.000 0.000 0.356 48 L C 1.259 178.071 176.870 -0.098 0.000 1.053 48 L CA 0.279 55.010 54.840 -0.181 0.000 1.222 48 L CB -1.581 40.390 42.059 -0.147 0.000 0.053 48 L HN 0.334 nan 8.230 nan 0.000 0.105 49 G N -0.182 108.588 108.800 -0.051 0.000 2.199 49 G HA2 -0.290 3.670 3.960 0.000 0.000 0.254 49 G HA3 -0.290 3.670 3.960 0.000 0.000 0.254 49 G C 0.653 175.539 174.900 -0.024 0.000 0.982 49 G CA 0.705 45.787 45.100 -0.031 0.000 0.632 49 G HN 1.063 nan 8.290 nan 0.000 0.529 50 R N 0.347 120.832 120.500 -0.026 0.000 2.541 50 R HA 0.470 4.809 4.340 0.000 0.000 0.332 50 R C 1.486 177.789 176.300 0.005 0.000 0.951 50 R CA 0.180 56.273 56.100 -0.012 0.000 1.136 50 R CB -0.003 30.283 30.300 -0.022 0.000 1.449 50 R HN 0.815 nan 8.270 nan 0.000 0.531 51 G N 2.483 111.282 108.800 -0.000 0.000 3.538 51 G HA2 -0.025 3.935 3.960 0.000 0.000 0.975 51 G HA3 -0.025 3.935 3.960 0.000 0.000 0.975 51 G C 0.005 174.938 174.900 0.054 0.000 1.261 51 G CA 0.482 45.592 45.100 0.018 0.000 1.423 51 G HN 0.294 nan 8.290 nan 0.000 0.845 52 L N -2.292 118.969 121.223 0.063 0.000 2.349 52 L HA 0.092 4.432 4.340 0.000 0.000 0.689 52 L C 0.653 177.569 176.870 0.076 0.000 1.055 52 L CA 0.702 55.595 54.840 0.089 0.000 1.394 52 L CB -1.770 40.374 42.059 0.142 0.000 2.124 52 L HN 1.617 nan 8.230 nan 0.000 0.975 53 A N 2.132 124.983 122.820 0.052 0.000 2.274 53 A HA 0.894 5.214 4.320 0.000 0.000 0.309 53 A C 0.484 178.080 177.584 0.021 0.000 1.226 53 A CA 0.175 52.235 52.037 0.037 0.000 0.853 53 A CB 0.729 19.746 19.000 0.029 0.000 1.146 53 A HN 0.472 nan 8.150 nan 0.000 0.518 54 T N 1.001 115.568 114.554 0.022 0.000 2.942 54 T HA 0.755 5.105 4.350 0.000 0.000 0.289 54 T C -0.151 174.522 174.700 -0.045 0.000 1.044 54 T CA -0.463 61.621 62.100 -0.026 0.000 1.023 54 T CB 1.624 70.528 68.868 0.060 0.000 1.123 54 T HN 0.882 nan 8.240 nan 0.000 0.512 55 S N -0.917 114.711 115.700 -0.121 0.000 2.596 55 S HA 0.635 5.105 4.470 0.000 0.000 0.270 55 S C 1.013 175.510 174.600 -0.171 0.000 1.155 55 S CA -0.027 58.109 58.200 -0.107 0.000 0.827 55 S CB 1.032 64.176 63.200 -0.094 0.000 1.130 55 S HN 0.818 nan 8.310 nan 0.000 0.467 56 A N 1.668 124.400 122.820 -0.146 0.000 1.930 56 A HA 0.151 4.471 4.320 0.000 0.000 0.217 56 A C 1.621 179.058 177.584 -0.244 0.000 1.175 56 A CA 1.323 53.264 52.037 -0.159 0.000 0.627 56 A CB -0.670 18.257 19.000 -0.121 0.000 0.815 56 A HN 0.729 nan 8.150 nan 0.000 0.443 57 L N -1.206 119.826 121.223 -0.318 0.000 2.556 57 L HA 0.157 4.497 4.340 0.000 0.000 0.226 57 L C -0.366 176.317 176.870 -0.312 0.000 1.089 57 L CA 0.042 54.668 54.840 -0.356 0.000 0.864 57 L CB 0.857 42.608 42.059 -0.513 0.000 1.067 57 L HN 0.076 nan 8.230 nan 0.000 0.477 58 V N 0.421 120.161 119.914 -0.290 0.000 2.315 58 V HA 0.202 4.322 4.120 0.000 0.000 0.265 58 V C -1.724 174.184 176.094 -0.310 0.000 1.019 58 V CA -0.903 61.260 62.300 -0.228 0.000 0.824 58 V CB 1.012 32.772 31.823 -0.105 0.000 1.072 58 V HN -0.036 nan 8.190 nan 0.000 0.448 59 P HA -0.128 nan 4.420 nan 0.000 0.216 59 P C 0.859 177.812 177.300 -0.578 0.000 1.157 59 P CA 1.690 64.221 63.100 -0.948 0.000 0.880 59 P CB 0.173 30.834 31.700 -1.731 0.000 0.791 60 T N -6.231 108.109 114.554 -0.358 0.000 2.858 60 T HA 0.708 5.058 4.350 0.000 0.000 0.285 60 T C 1.013 175.667 174.700 -0.077 0.000 1.052 60 T CA -0.284 61.721 62.100 -0.158 0.000 1.009 60 T CB 1.313 70.101 68.868 -0.134 0.000 1.241 60 T HN -0.072 nan 8.240 nan 0.000 0.542 61 A N 0.050 122.858 122.820 -0.020 0.000 1.968 61 A HA 0.309 4.629 4.320 0.000 0.000 0.217 61 A C 2.287 179.924 177.584 0.088 0.000 1.169 61 A CA 1.537 53.605 52.037 0.052 0.000 0.638 61 A CB -1.503 17.542 19.000 0.075 0.000 0.812 61 A HN 1.116 nan 8.150 nan 0.000 0.446 62 G N -0.684 108.111 108.800 -0.007 0.000 2.448 62 G HA2 -0.060 3.900 3.960 0.000 0.000 0.218 62 G HA3 -0.060 3.900 3.960 0.000 0.000 0.218 62 G C 1.692 176.653 174.900 0.102 0.000 1.135 62 G CA 1.150 46.260 45.100 0.018 0.000 0.784 62 G HN 0.470 nan 8.290 nan 0.000 0.543 63 S N 0.013 115.711 115.700 -0.004 0.000 2.370 63 S HA -0.120 4.350 4.470 0.000 0.000 0.226 63 S C 2.229 176.907 174.600 0.129 0.000 1.033 63 S CA 1.238 59.460 58.200 0.036 0.000 1.011 63 S CB -0.178 62.965 63.200 -0.096 0.000 0.852 63 S HN 0.476 nan 8.310 nan 0.000 0.457 64 R N -0.401 120.167 120.500 0.113 0.000 2.062 64 R HA -0.094 4.246 4.340 0.000 0.000 0.231 64 R C 2.199 178.596 176.300 0.162 0.000 1.136 64 R CA 1.211 57.372 56.100 0.101 0.000 0.948 64 R CB -0.490 29.871 30.300 0.101 0.000 0.845 64 R HN 0.397 nan 8.270 nan 0.000 0.430 65 Y N 0.100 120.491 120.300 0.151 0.000 2.151 65 Y HA -0.344 4.206 4.550 0.000 0.000 0.284 65 Y C 2.096 178.141 175.900 0.241 0.000 1.166 65 Y CA 2.165 60.412 58.100 0.244 0.000 1.163 65 Y CB -0.554 38.114 38.460 0.346 0.000 0.974 65 Y HN 0.232 nan 8.280 nan 0.000 0.511 66 Y N 0.607 121.071 120.300 0.273 0.000 2.133 66 Y HA -0.252 4.298 4.550 0.000 0.000 0.287 66 Y C 2.429 178.369 175.900 0.066 0.000 1.134 66 Y CA 2.120 60.327 58.100 0.178 0.000 1.133 66 Y CB -0.861 37.711 38.460 0.186 0.000 0.987 66 Y HN 0.191 nan 8.280 nan 0.000 0.502 67 Q N -0.903 118.867 119.800 -0.049 0.000 2.077 67 Q HA -0.249 4.091 4.340 0.000 0.000 0.206 67 Q C 2.218 178.071 176.000 -0.246 0.000 0.989 67 Q CA 2.027 57.718 55.803 -0.187 0.000 0.853 67 Q CB -0.211 28.486 28.738 -0.070 0.000 0.907 67 Q HN 0.446 nan 8.270 nan 0.000 0.418 68 M N -0.180 119.252 119.600 -0.280 0.000 2.117 68 M HA -0.155 4.325 4.480 0.000 0.000 0.262 68 M C 2.359 178.484 176.300 -0.293 0.000 1.065 68 M CA 1.305 56.347 55.300 -0.430 0.000 1.114 68 M CB -1.171 30.869 32.600 -0.933 0.000 1.361 68 M HN 0.167 nan 8.290 nan 0.000 0.408 69 S N -0.265 115.301 115.700 -0.223 0.000 2.387 69 S HA -0.170 4.300 4.470 0.000 0.000 0.230 69 S C 2.142 176.639 174.600 -0.172 0.000 1.035 69 S CA 1.676 59.782 58.200 -0.157 0.000 1.014 69 S CB -0.220 62.918 63.200 -0.103 0.000 0.836 69 S HN 0.587 nan 8.310 nan 0.000 0.466 70 C N 0.783 119.931 119.300 -0.254 0.000 2.462 70 C HA 0.067 4.527 4.460 0.000 0.000 0.278 70 C C 2.470 177.424 174.990 -0.059 0.000 1.253 70 C CA 0.699 59.619 59.018 -0.163 0.000 1.713 70 C CB -1.612 26.000 27.740 -0.213 0.000 2.049 70 C HN 0.666 nan 8.230 nan 0.000 0.477 71 L N 0.829 121.997 121.223 -0.091 0.000 2.021 71 L HA -0.187 4.153 4.340 0.000 0.000 0.215 71 L C 2.292 179.125 176.870 -0.062 0.000 1.074 71 L CA 1.941 56.753 54.840 -0.048 0.000 0.760 71 L CB -0.707 41.257 42.059 -0.158 0.000 0.889 71 L HN 0.334 nan 8.230 nan 0.000 0.433 72 L N -1.708 119.439 121.223 -0.127 0.000 2.109 72 L HA -0.154 4.186 4.340 0.000 0.000 0.207 72 L C 2.452 179.293 176.870 -0.048 0.000 1.086 72 L CA 1.112 55.888 54.840 -0.107 0.000 0.760 72 L CB -0.491 41.475 42.059 -0.155 0.000 0.910 72 L HN 0.211 nan 8.230 nan 0.000 0.437 73 S N -0.146 115.521 115.700 -0.055 0.000 2.382 73 S HA -0.120 4.350 4.470 0.000 0.000 0.228 73 S C 1.857 176.382 174.600 -0.125 0.000 1.027 73 S CA 1.265 59.448 58.200 -0.028 0.000 0.991 73 S CB -0.374 62.814 63.200 -0.021 0.000 0.823 73 S HN 0.620 nan 8.310 nan 0.000 0.469 74 G N 1.710 110.329 108.800 -0.300 0.000 2.551 74 G HA2 -0.143 3.817 3.960 0.000 0.000 0.214 74 G HA3 -0.143 3.817 3.960 0.000 0.000 0.214 74 G C 1.633 176.035 174.900 -0.829 0.000 1.250 74 G CA 1.428 45.877 45.100 -1.085 0.000 0.825 74 G HN 0.558 nan 8.290 nan 0.000 0.549 75 T N 0.881 115.193 114.554 -0.405 0.000 2.624 75 T HA -0.244 4.106 4.350 0.000 0.000 0.266 75 T C 2.390 177.325 174.700 0.392 0.000 1.050 75 T CA 1.612 63.735 62.100 0.038 0.000 1.163 75 T CB -0.698 68.123 68.868 -0.079 0.000 0.861 75 T HN 0.101 nan 8.240 nan 0.000 0.443 76 L N 0.892 122.322 121.223 0.345 0.000 2.261 76 L HA -0.130 4.210 4.340 0.000 0.000 0.216 76 L C 3.084 180.085 176.870 0.218 0.000 1.114 76 L CA 1.431 56.482 54.840 0.350 0.000 0.777 76 L CB -0.593 41.598 42.059 0.221 0.000 0.910 76 L HN 0.453 nan 8.230 nan 0.000 0.440 77 Q N -0.515 119.330 119.800 0.075 0.000 2.436 77 Q HA -0.114 4.226 4.340 0.000 0.000 0.209 77 Q C 2.167 178.249 176.000 0.137 0.000 0.965 77 Q CA 0.769 56.600 55.803 0.046 0.000 0.910 77 Q CB 0.155 28.919 28.738 0.044 0.000 0.980 77 Q HN 0.598 nan 8.270 nan 0.000 0.491 78 I N 1.548 122.241 120.570 0.206 0.000 2.133 78 I HA -0.170 4.000 4.170 0.000 0.000 0.238 78 I C -0.677 175.565 176.117 0.208 0.000 1.074 78 I CA 0.959 62.405 61.300 0.244 0.000 1.342 78 I CB -1.152 37.080 38.000 0.387 0.000 1.053 78 I HN 0.129 nan 8.210 nan 0.000 0.404 79 P HA -0.111 nan 4.420 nan 0.000 0.231 79 P C 1.314 178.594 177.300 -0.034 0.000 1.168 79 P CA 1.252 64.357 63.100 0.009 0.000 0.779 79 P CB -0.087 31.350 31.700 -0.438 0.000 0.844 80 F N 0.243 120.203 119.950 0.017 0.000 2.773 80 F HA 0.165 4.692 4.527 0.000 0.000 0.304 80 F C 1.641 177.547 175.800 0.176 0.000 1.129 80 F CA -0.179 57.854 58.000 0.054 0.000 1.378 80 F CB -0.107 38.636 39.000 -0.429 0.000 1.095 80 F HN -0.275 nan 8.300 nan 0.000 0.565 81 R N 1.437 122.088 120.500 0.253 0.000 2.726 81 R HA 0.036 4.376 4.340 0.000 0.000 0.272 81 R C -1.114 175.175 176.300 -0.018 0.000 1.097 81 R CA -1.118 55.080 56.100 0.162 0.000 1.198 81 R CB -0.360 30.007 30.300 0.112 0.000 1.114 81 R HN -0.084 nan 8.270 nan 0.000 0.550 82 P HA -0.180 nan 4.420 nan 0.000 0.220 82 P C 0.120 177.126 177.300 -0.490 0.000 1.148 82 P CA 1.463 64.398 63.100 -0.275 0.000 0.803 82 P CB 0.046 31.697 31.700 -0.081 0.000 0.782 83 N N -0.617 117.937 118.700 -0.244 0.000 2.467 83 N HA -0.153 4.587 4.740 0.000 0.000 0.184 83 N C 0.165 175.660 175.510 -0.025 0.000 1.106 83 N CA 0.209 53.183 53.050 -0.127 0.000 0.892 83 N CB -1.560 36.913 38.487 -0.023 0.000 0.969 83 N HN 0.267 nan 8.380 nan 0.000 0.454 84 H N -1.051 118.105 119.070 0.143 0.000 2.776 84 H HA -0.116 4.440 4.556 0.000 0.000 0.300 84 H C -0.280 175.217 175.328 0.281 0.000 1.161 84 H CA 0.305 56.483 56.048 0.218 0.000 1.147 84 H CB -0.894 28.948 29.762 0.134 0.000 1.366 84 H HN 0.143 nan 8.280 nan 0.000 0.397 85 R N 1.133 121.791 120.500 0.263 0.000 2.410 85 R HA 0.042 4.382 4.340 0.000 0.000 0.288 85 R C 0.898 177.322 176.300 0.206 0.000 1.051 85 R CA -0.083 56.112 56.100 0.158 0.000 1.021 85 R CB 0.443 30.750 30.300 0.011 0.000 1.032 85 R HN 0.622 nan 8.270 nan 0.000 0.481 86 W N 1.367 122.780 121.300 0.187 0.000 3.058 86 W HA 0.324 4.984 4.660 0.000 0.000 0.306 86 W C 0.124 176.792 176.519 0.250 0.000 1.188 86 W CA 0.196 57.651 57.345 0.184 0.000 1.651 86 W CB 0.540 30.069 29.460 0.114 0.000 1.051 86 W HN 0.611 nan 8.180 nan 0.000 0.592 87 G N 2.084 110.604 108.800 -0.466 0.000 4.773 87 G HA2 0.023 3.983 3.960 0.000 0.000 0.269 87 G HA3 0.023 3.983 3.960 0.000 0.000 0.269 87 G C 0.379 175.128 174.900 -0.252 0.000 0.992 87 G CA 0.276 45.200 45.100 -0.294 0.000 0.775 87 G HN 0.133 nan 8.290 nan 0.000 0.471 88 D N -0.437 119.858 120.400 -0.175 0.000 2.355 88 D HA 0.169 4.809 4.640 0.000 0.000 0.206 88 D C 0.687 176.968 176.300 -0.031 0.000 1.010 88 D CA -0.055 53.878 54.000 -0.112 0.000 0.875 88 D CB 0.901 41.639 40.800 -0.104 0.000 0.966 88 D HN 0.294 nan 8.370 nan 0.000 0.512 89 I N 0.858 121.437 120.570 0.015 0.000 2.846 89 I HA 0.370 4.540 4.170 0.000 0.000 0.307 89 I C -0.578 175.589 176.117 0.084 0.000 1.053 89 I CA -1.318 60.013 61.300 0.050 0.000 1.050 89 I CB 2.124 40.168 38.000 0.073 0.000 1.239 89 I HN -0.044 nan 8.210 nan 0.000 0.439 90 R N 4.262 124.813 120.500 0.085 0.000 2.856 90 R HA 0.599 4.939 4.340 0.000 0.000 0.258 90 R C -1.782 174.627 176.300 0.182 0.000 1.066 90 R CA -0.553 55.606 56.100 0.098 0.000 1.045 90 R CB 1.374 31.695 30.300 0.035 0.000 1.178 90 R HN 0.524 nan 8.270 nan 0.000 0.499 91 F N 2.131 122.073 119.950 -0.012 0.000 2.771 91 F HA 0.361 4.888 4.527 0.000 0.000 0.365 91 F C -0.458 175.319 175.800 -0.038 0.000 1.169 91 F CA -1.336 56.659 58.000 -0.008 0.000 1.093 91 F CB 0.248 39.248 39.000 0.001 0.000 1.363 91 F HN 0.740 nan 8.300 nan 0.000 0.496 92 L N 6.310 127.288 121.223 -0.408 0.000 3.730 92 L HA -0.357 3.983 4.340 0.000 0.000 0.410 92 L C 0.818 177.516 176.870 -0.288 0.000 1.234 92 L CA 1.034 55.588 54.840 -0.476 0.000 0.911 92 L CB -1.043 40.486 42.059 -0.884 0.000 1.942 92 L HN 0.850 nan 8.230 nan 0.000 0.860 93 R N -3.059 117.343 120.500 -0.163 0.000 3.936 93 R HA -0.154 4.186 4.340 0.000 0.000 0.366 93 R C -0.026 176.206 176.300 -0.114 0.000 1.158 93 R CA 1.091 57.123 56.100 -0.113 0.000 0.969 93 R CB -1.672 28.561 30.300 -0.112 0.000 1.504 93 R HN 0.445 nan 8.270 nan 0.000 0.538 94 L N 0.661 121.807 121.223 -0.127 0.000 2.330 94 L HA 0.786 5.126 4.340 0.000 0.000 0.271 94 L C 0.089 176.908 176.870 -0.084 0.000 1.013 94 L CA -1.131 53.630 54.840 -0.131 0.000 0.816 94 L CB 2.175 44.131 42.059 -0.171 0.000 1.287 94 L HN -0.180 nan 8.230 nan 0.000 0.435 95 V N -0.147 119.697 119.914 -0.117 0.000 3.048 95 V HA 0.313 4.433 4.120 0.000 0.000 0.303 95 V C -1.282 174.789 176.094 -0.038 0.000 1.214 95 V CA -0.896 61.386 62.300 -0.030 0.000 0.984 95 V CB 2.191 34.045 31.823 0.052 0.000 1.054 95 V HN 0.623 nan 8.190 nan 0.000 0.430 96 W N 1.256 122.687 121.300 0.218 0.000 2.202 96 W HA 0.404 5.064 4.660 0.000 0.000 0.332 96 W C 1.821 178.530 176.519 0.316 0.000 1.263 96 W CA 0.790 58.289 57.345 0.257 0.000 1.223 96 W CB 1.017 30.669 29.460 0.321 0.000 1.128 96 W HN 0.725 nan 8.180 nan 0.000 0.573 97 S N 1.891 117.854 115.700 0.439 0.000 2.371 97 S HA 0.213 4.683 4.470 0.000 0.000 0.224 97 S C 0.503 175.216 174.600 0.188 0.000 1.029 97 S CA 1.244 59.612 58.200 0.280 0.000 0.978 97 S CB -0.189 63.110 63.200 0.165 0.000 0.833 97 S HN 0.561 nan 8.310 nan 0.000 0.466 98 A N -0.322 122.423 122.820 -0.126 0.000 2.599 98 A HA 0.688 5.008 4.320 0.000 0.000 0.290 98 A C -2.494 174.324 177.584 -1.277 0.000 1.101 98 A CA -1.041 50.474 52.037 -0.871 0.000 0.674 98 A CB -0.073 18.637 19.000 -0.484 0.000 1.277 98 A HN 0.078 nan 8.150 nan 0.000 0.419 99 P HA -0.173 nan 4.420 nan 0.000 0.216 99 P C 1.210 177.919 177.300 -0.985 0.000 1.157 99 P CA 2.657 64.781 63.100 -1.626 0.000 0.880 99 P CB -0.078 30.525 31.700 -1.828 0.000 0.791 100 T N -2.649 111.380 114.554 -0.875 0.000 3.439 100 T HA 0.120 4.470 4.350 0.000 0.000 0.251 100 T C 0.765 175.278 174.700 -0.310 0.000 1.108 100 T CA -0.128 61.504 62.100 -0.780 0.000 0.982 100 T CB -1.582 66.760 68.868 -0.876 0.000 1.024 100 T HN 0.011 nan 8.240 nan 0.000 0.573 101 L N 0.327 121.400 121.223 -0.250 0.000 3.851 101 L HA -0.261 4.079 4.340 0.000 0.000 0.438 101 L C 0.899 177.984 176.870 0.358 0.000 1.171 101 L CA 0.228 55.044 54.840 -0.039 0.000 0.895 101 L CB -1.831 40.075 42.059 -0.255 0.000 1.800 101 L HN 0.281 nan 8.230 nan 0.000 0.960 102 D N 0.725 121.230 120.400 0.174 0.000 2.116 102 D HA -0.025 4.615 4.640 0.000 0.000 0.193 102 D C 1.300 177.800 176.300 0.333 0.000 0.998 102 D CA 1.893 56.024 54.000 0.218 0.000 0.836 102 D CB 0.212 41.043 40.800 0.052 0.000 0.951 102 D HN 0.658 nan 8.370 nan 0.000 0.449 103 G N -1.385 107.612 108.800 0.327 0.000 2.649 103 G HA2 0.568 4.528 3.960 0.000 0.000 0.290 103 G HA3 0.568 4.528 3.960 0.000 0.000 0.290 103 G C -1.549 173.439 174.900 0.148 0.000 1.426 103 G CA -0.732 44.501 45.100 0.222 0.000 0.794 103 G HN 0.034 nan 8.290 nan 0.000 0.483 104 L N 0.041 121.234 121.223 -0.051 0.000 2.330 104 L HA 0.856 5.196 4.340 0.000 0.000 0.271 104 L C 0.140 176.946 176.870 -0.108 0.000 1.013 104 L CA -1.075 53.644 54.840 -0.202 0.000 0.816 104 L CB 1.889 43.714 42.059 -0.391 0.000 1.287 104 L HN 0.596 nan 8.230 nan 0.000 0.435 105 V N -0.493 119.363 119.914 -0.098 0.000 3.203 105 V HA 0.461 4.581 4.120 0.000 0.000 0.305 105 V C -0.397 175.660 176.094 -0.061 0.000 1.361 105 V CA -1.017 61.250 62.300 -0.055 0.000 1.066 105 V CB 1.691 33.513 31.823 -0.002 0.000 1.085 105 V HN 0.315 nan 8.190 nan 0.000 0.456 106 V N 1.699 121.586 119.914 -0.044 0.000 2.655 106 V HA 0.509 4.629 4.120 0.000 0.000 0.300 106 V C 1.144 177.222 176.094 -0.026 0.000 1.044 106 V CA 0.704 62.978 62.300 -0.044 0.000 1.095 106 V CB 0.914 32.716 31.823 -0.036 0.000 0.952 106 V HN 1.378 nan 8.190 nan 0.000 0.485 107 A N 7.936 130.737 122.820 -0.031 0.000 2.498 107 A HA 0.451 4.771 4.320 0.000 0.000 0.239 107 A C -2.192 175.386 177.584 -0.011 0.000 1.068 107 A CA -0.916 51.111 52.037 -0.015 0.000 0.766 107 A CB -0.303 18.686 19.000 -0.019 0.000 1.003 107 A HN 0.715 nan 8.150 nan 0.000 0.497 108 P HA 0.099 nan 4.420 nan 0.000 0.271 108 P C -1.659 175.636 177.300 -0.009 0.000 1.218 108 P CA -1.149 61.949 63.100 -0.003 0.000 0.780 108 P CB 0.341 32.040 31.700 -0.001 0.000 0.901 109 P HA -0.285 nan 4.420 nan 0.000 0.217 109 P C 1.048 178.342 177.300 -0.010 0.000 1.158 109 P CA 1.985 65.079 63.100 -0.010 0.000 0.887 109 P CB -0.054 31.641 31.700 -0.008 0.000 0.792 110 Q N -0.373 119.421 119.800 -0.010 0.000 2.197 110 Q HA -0.114 4.226 4.340 0.000 0.000 0.207 110 Q C 2.261 178.254 176.000 -0.012 0.000 0.984 110 Q CA 1.594 57.391 55.803 -0.011 0.000 0.869 110 Q CB -1.160 27.570 28.738 -0.013 0.000 0.906 110 Q HN 0.210 nan 8.270 nan 0.000 0.426 111 V N -0.107 119.799 119.914 -0.012 0.000 2.446 111 V HA -0.119 4.001 4.120 0.000 0.000 0.244 111 V C 1.959 178.048 176.094 -0.008 0.000 1.039 111 V CA 1.014 63.308 62.300 -0.010 0.000 1.045 111 V CB -0.446 31.372 31.823 -0.009 0.000 0.681 111 V HN 0.304 nan 8.190 nan 0.000 0.459 112 L N 0.603 121.819 121.223 -0.012 0.000 2.191 112 L HA -0.143 4.197 4.340 0.000 0.000 0.212 112 L C 2.702 179.564 176.870 -0.014 0.000 1.103 112 L CA 1.280 56.110 54.840 -0.016 0.000 0.769 112 L CB -0.741 41.306 42.059 -0.021 0.000 0.908 112 L HN 0.371 nan 8.230 nan 0.000 0.438 113 A N -0.634 122.180 122.820 -0.011 0.000 1.902 113 A HA -0.146 4.174 4.320 0.000 0.000 0.217 113 A C 1.293 178.873 177.584 -0.007 0.000 1.181 113 A CA 1.033 53.065 52.037 -0.009 0.000 0.623 113 A CB -0.263 18.733 19.000 -0.008 0.000 0.818 113 A HN 0.395 nan 8.150 nan 0.000 0.443 114 Q N -0.111 119.687 119.800 -0.004 0.000 2.221 114 Q HA 0.373 4.713 4.340 0.000 0.000 0.242 114 Q C -2.362 173.641 176.000 0.004 0.000 0.940 114 Q CA -2.366 53.438 55.803 0.001 0.000 0.896 114 Q CB 0.894 29.634 28.738 0.003 0.000 1.226 114 Q HN 0.288 nan 8.270 nan 0.000 0.463 115 P HA -0.073 nan 4.420 nan 0.000 0.269 115 P C -1.180 176.136 177.300 0.027 0.000 1.211 115 P CA 0.129 63.237 63.100 0.013 0.000 0.781 115 P CB 0.543 32.253 31.700 0.016 0.000 0.877 116 A N 1.951 124.791 122.820 0.033 0.000 2.257 116 A HA 0.395 4.715 4.320 0.000 0.000 0.289 116 A C -0.106 177.537 177.584 0.099 0.000 1.095 116 A CA -0.618 51.458 52.037 0.065 0.000 0.836 116 A CB -0.098 18.933 19.000 0.052 0.000 1.111 116 A HN 0.590 nan 8.150 nan 0.000 0.497 117 L N 0.368 121.685 121.223 0.156 0.000 2.361 117 L HA 0.226 4.566 4.340 0.000 0.000 0.278 117 L C -0.009 176.967 176.870 0.176 0.000 1.113 117 L CA 0.223 55.159 54.840 0.160 0.000 0.849 117 L CB 0.400 42.566 42.059 0.178 0.000 1.155 117 L HN 0.581 nan 8.230 nan 0.000 0.452 118 Q N 5.436 125.314 119.800 0.129 0.000 2.641 118 Q HA 0.302 4.642 4.340 0.000 0.000 0.225 118 Q C 0.050 176.141 176.000 0.152 0.000 1.309 118 Q CA 0.055 55.933 55.803 0.125 0.000 0.935 118 Q CB 0.129 28.920 28.738 0.088 0.000 1.557 118 Q HN 0.792 nan 8.270 nan 0.000 0.563 119 A N 2.895 125.825 122.820 0.183 0.000 2.511 119 A HA 0.122 4.442 4.320 0.000 0.000 0.242 119 A C 0.363 178.132 177.584 0.308 0.000 1.069 119 A CA 0.084 52.225 52.037 0.174 0.000 0.763 119 A CB 0.434 19.474 19.000 0.067 0.000 1.001 119 A HN 0.608 nan 8.150 nan 0.000 0.498 120 Q N 0.016 119.965 119.800 0.250 0.000 2.194 120 Q HA 0.667 5.007 4.340 0.000 0.000 0.245 120 Q C 0.065 176.076 176.000 0.019 0.000 0.993 120 Q CA -0.553 55.407 55.803 0.261 0.000 0.930 120 Q CB 1.679 30.495 28.738 0.131 0.000 1.238 120 Q HN 0.919 nan 8.270 nan 0.000 0.486 121 A N 0.228 122.880 122.820 -0.281 0.000 2.269 121 A HA 0.353 4.673 4.320 0.000 0.000 0.327 121 A C -0.692 176.709 177.584 -0.305 0.000 1.112 121 A CA -0.523 51.117 52.037 -0.661 0.000 0.865 121 A CB 0.391 18.644 19.000 -1.246 0.000 1.227 121 A HN 0.875 nan 8.150 nan 0.000 0.498 122 D N 0.334 120.569 120.400 -0.274 0.000 2.720 122 D HA -0.128 4.512 4.640 0.000 0.000 0.229 122 D C -0.206 175.991 176.300 -0.171 0.000 1.198 122 D CA 0.971 54.865 54.000 -0.176 0.000 0.639 122 D CB -0.644 40.070 40.800 -0.144 0.000 1.003 122 D HN 0.404 nan 8.370 nan 0.000 0.411 123 R N -0.088 120.307 120.500 -0.176 0.000 2.457 123 R HA 0.560 4.900 4.340 0.000 0.000 0.284 123 R C 0.095 176.166 176.300 -0.383 0.000 1.024 123 R CA -0.725 55.196 56.100 -0.299 0.000 1.025 123 R CB 1.787 31.908 30.300 -0.298 0.000 1.063 123 R HN -0.081 nan 8.270 nan 0.000 0.493 124 V N 4.249 123.842 119.914 -0.534 0.000 2.409 124 V HA 0.382 4.502 4.120 0.000 0.000 0.291 124 V C -0.973 174.692 176.094 -0.715 0.000 1.020 124 V CA -0.699 61.304 62.300 -0.495 0.000 0.848 124 V CB 1.051 32.703 31.823 -0.285 0.000 0.990 124 V HN 0.587 nan 8.190 nan 0.000 0.430 125 Y N 1.804 121.679 120.300 -0.708 0.000 2.549 125 Y HA 0.618 5.168 4.550 0.000 0.000 0.339 125 Y C -0.079 175.472 175.900 -0.581 0.000 1.053 125 Y CA -1.009 56.654 58.100 -0.729 0.000 1.105 125 Y CB 1.863 39.572 38.460 -1.251 0.000 1.258 125 Y HN 0.626 nan 8.280 nan 0.000 0.478 126 D N 0.125 120.512 120.400 -0.021 0.000 2.454 126 D HA 0.248 4.888 4.640 0.000 0.000 0.247 126 D C 0.242 176.748 176.300 0.344 0.000 1.129 126 D CA -0.395 53.694 54.000 0.147 0.000 0.877 126 D CB 0.832 41.730 40.800 0.163 0.000 1.082 126 D HN 0.653 nan 8.370 nan 0.000 0.537 127 C N 2.503 122.065 119.300 0.437 0.000 2.347 127 C HA -0.222 4.238 4.460 0.000 0.000 0.270 127 C C 1.875 177.095 174.990 0.383 0.000 1.145 127 C CA 0.995 60.344 59.018 0.551 0.000 1.802 127 C CB -0.519 27.451 27.740 0.382 0.000 2.084 127 C HN 0.695 nan 8.230 nan 0.000 0.446 128 D N 0.272 120.828 120.400 0.261 0.000 2.393 128 D HA -0.119 4.521 4.640 0.000 0.000 0.220 128 D C 1.451 177.836 176.300 0.141 0.000 0.974 128 D CA 1.105 55.201 54.000 0.159 0.000 0.931 128 D CB -0.485 40.406 40.800 0.151 0.000 0.889 128 D HN 0.631 nan 8.370 nan 0.000 0.512 129 D N -0.647 119.897 120.400 0.240 0.000 2.213 129 D HA -0.106 4.534 4.640 0.000 0.000 0.205 129 D C 0.546 176.822 176.300 -0.041 0.000 0.961 129 D CA 0.269 54.389 54.000 0.200 0.000 0.853 129 D CB 0.027 41.061 40.800 0.389 0.000 0.967 129 D HN 0.268 nan 8.370 nan 0.000 0.496 130 Y N 3.421 123.602 120.300 -0.198 0.000 2.504 130 Y HA 0.130 4.680 4.550 0.000 0.000 0.351 130 Y C -1.476 174.231 175.900 -0.320 0.000 0.988 130 Y CA -2.272 55.522 58.100 -0.510 0.000 1.239 130 Y CB 0.936 39.029 38.460 -0.612 0.000 1.128 130 Y HN -0.127 nan 8.280 nan 0.000 0.525 131 P HA -0.358 nan 4.420 nan 0.000 0.216 131 P C 1.426 178.433 177.300 -0.488 0.000 1.151 131 P CA 2.138 64.885 63.100 -0.587 0.000 0.953 131 P CB -0.103 31.146 31.700 -0.752 0.000 0.789 132 F N -0.897 118.749 119.950 -0.507 0.000 2.141 132 F HA -0.203 4.324 4.527 0.000 0.000 0.300 132 F C 2.762 178.627 175.800 0.109 0.000 1.079 132 F CA 1.079 58.947 58.000 -0.220 0.000 1.264 132 F CB -1.165 37.692 39.000 -0.239 0.000 1.011 132 F HN -0.149 nan 8.300 nan 0.000 0.487 133 L N -1.009 120.444 121.223 0.383 0.000 2.095 133 L HA -0.105 4.235 4.340 0.000 0.000 0.204 133 L C 2.692 179.599 176.870 0.061 0.000 1.080 133 L CA 0.893 55.897 54.840 0.274 0.000 0.759 133 L CB -0.778 41.366 42.059 0.141 0.000 0.914 133 L HN 0.121 nan 8.230 nan 0.000 0.439 134 A N 0.353 123.175 122.820 0.004 0.000 1.933 134 A HA -0.198 4.122 4.320 0.000 0.000 0.218 134 A C 2.316 179.864 177.584 -0.060 0.000 1.175 134 A CA 1.452 53.460 52.037 -0.047 0.000 0.628 134 A CB -0.411 18.553 19.000 -0.060 0.000 0.814 134 A HN 0.361 nan 8.150 nan 0.000 0.444 135 R N -0.854 119.608 120.500 -0.062 0.000 2.119 135 R HA -0.002 4.338 4.340 0.000 0.000 0.222 135 R C -0.117 176.164 176.300 -0.032 0.000 1.088 135 R CA 1.004 57.065 56.100 -0.065 0.000 0.984 135 R CB -0.056 30.184 30.300 -0.100 0.000 0.884 135 R HN 0.350 nan 8.270 nan 0.000 0.447 136 D N 0.119 120.531 120.400 0.020 0.000 2.464 136 D HA 0.177 4.817 4.640 0.000 0.000 0.243 136 D C -2.042 174.263 176.300 0.009 0.000 1.104 136 D CA -2.678 51.342 54.000 0.033 0.000 0.883 136 D CB 1.707 42.559 40.800 0.085 0.000 1.050 136 D HN -0.215 nan 8.370 nan 0.000 0.524 137 P HA -0.104 nan 4.420 nan 0.000 0.216 137 P C 1.258 178.498 177.300 -0.101 0.000 1.150 137 P CA 0.899 63.922 63.100 -0.129 0.000 0.837 137 P CB 0.525 32.153 31.700 -0.120 0.000 0.786 138 R N -1.321 119.152 120.500 -0.044 0.000 2.082 138 R HA -0.147 4.193 4.340 0.000 0.000 0.234 138 R C 2.142 178.469 176.300 0.044 0.000 1.136 138 R CA 1.514 57.607 56.100 -0.012 0.000 0.935 138 R CB -1.771 28.528 30.300 -0.002 0.000 0.842 138 R HN 0.132 nan 8.270 nan 0.000 0.430 139 F N 1.933 121.817 119.950 -0.110 0.000 2.065 139 F HA -0.281 4.246 4.527 0.000 0.000 0.298 139 F C 2.085 177.772 175.800 -0.189 0.000 1.112 139 F CA 1.919 59.831 58.000 -0.147 0.000 1.212 139 F CB -0.562 38.358 39.000 -0.133 0.000 0.975 139 F HN -0.053 nan 8.300 nan 0.000 0.476 140 K N -0.636 119.542 120.400 -0.371 0.000 2.001 140 K HA -0.321 3.999 4.320 0.000 0.000 0.214 140 K C 2.512 178.863 176.600 -0.415 0.000 1.050 140 K CA 1.981 57.940 56.287 -0.547 0.000 0.934 140 K CB -0.951 31.239 32.500 -0.517 0.000 0.718 140 K HN 0.518 nan 8.250 nan 0.000 0.443 141 H N 0.778 119.633 119.070 -0.358 0.000 2.353 141 H HA -0.164 4.392 4.556 0.000 0.000 0.298 141 H C 2.266 177.497 175.328 -0.161 0.000 1.103 141 H CA 2.117 58.025 56.048 -0.233 0.000 1.293 141 H CB 0.031 29.667 29.762 -0.211 0.000 1.372 141 H HN 0.228 nan 8.280 nan 0.000 0.501 142 R N 0.138 120.565 120.500 -0.122 0.000 2.117 142 R HA -0.118 4.222 4.340 0.000 0.000 0.243 142 R C 2.391 178.509 176.300 -0.303 0.000 1.143 142 R CA 1.745 57.758 56.100 -0.146 0.000 0.968 142 R CB -0.017 30.239 30.300 -0.074 0.000 0.863 142 R HN 0.192 nan 8.270 nan 0.000 0.444 143 V N -0.642 118.962 119.914 -0.517 0.000 2.379 143 V HA -0.170 3.950 4.120 0.000 0.000 0.243 143 V C 1.728 177.609 176.094 -0.356 0.000 1.035 143 V CA 1.304 63.166 62.300 -0.731 0.000 1.035 143 V CB -0.686 30.380 31.823 -1.261 0.000 0.673 143 V HN 0.320 nan 8.190 nan 0.000 0.457 144 Y N 1.523 121.596 120.300 -0.378 0.000 2.219 144 Y HA -0.342 4.208 4.550 0.000 0.000 0.283 144 Y C 2.715 178.556 175.900 -0.098 0.000 1.191 144 Y CA 1.812 59.812 58.100 -0.166 0.000 1.199 144 Y CB -0.277 38.134 38.460 -0.082 0.000 0.972 144 Y HN 0.318 nan 8.280 nan 0.000 0.527 145 Q N -0.332 119.411 119.800 -0.096 0.000 2.082 145 Q HA -0.317 4.023 4.340 0.000 0.000 0.211 145 Q C 2.106 178.019 176.000 -0.144 0.000 1.002 145 Q CA 2.295 58.042 55.803 -0.094 0.000 0.868 145 Q CB -0.627 28.048 28.738 -0.105 0.000 0.931 145 Q HN 0.522 nan 8.270 nan 0.000 0.414 146 Q N 0.134 119.850 119.800 -0.139 0.000 2.033 146 Q HA 0.051 4.391 4.340 0.000 0.000 0.196 146 Q C 2.374 178.255 176.000 -0.197 0.000 0.970 146 Q CA 0.698 56.383 55.803 -0.197 0.000 0.828 146 Q CB -0.386 28.379 28.738 0.045 0.000 0.895 146 Q HN 0.308 nan 8.270 nan 0.000 0.440 147 L N 0.462 121.563 121.223 -0.204 0.000 2.034 147 L HA -0.317 4.023 4.340 0.000 0.000 0.217 147 L C 2.395 179.028 176.870 -0.394 0.000 1.077 147 L CA 1.821 56.432 54.840 -0.383 0.000 0.769 147 L CB -1.030 40.709 42.059 -0.532 0.000 0.890 147 L HN 0.343 nan 8.230 nan 0.000 0.435 148 S N -0.162 115.247 115.700 -0.485 0.000 2.357 148 S HA -0.112 4.358 4.470 0.000 0.000 0.221 148 S C 2.218 176.723 174.600 -0.158 0.000 1.031 148 S CA 0.703 58.752 58.200 -0.251 0.000 0.982 148 S CB -0.551 62.668 63.200 0.030 0.000 0.853 148 S HN 0.354 nan 8.310 nan 0.000 0.458 149 A N 1.527 124.273 122.820 -0.124 0.000 1.986 149 A HA -0.028 4.292 4.320 0.000 0.000 0.220 149 A C 2.366 179.884 177.584 -0.109 0.000 1.171 149 A CA 1.958 53.952 52.037 -0.072 0.000 0.640 149 A CB -1.149 17.760 19.000 -0.151 0.000 0.811 149 A HN 0.494 nan 8.150 nan 0.000 0.451 150 V N 0.043 119.846 119.914 -0.185 0.000 2.302 150 V HA -0.196 3.924 4.120 0.000 0.000 0.243 150 V C 2.961 178.954 176.094 -0.167 0.000 1.036 150 V CA 2.296 64.499 62.300 -0.161 0.000 1.020 150 V CB -1.536 30.203 31.823 -0.140 0.000 0.657 150 V HN 0.817 nan 8.190 nan 0.000 0.453 151 T N -1.146 113.239 114.554 -0.282 0.000 2.897 151 T HA -0.172 4.178 4.350 0.000 0.000 0.271 151 T C 1.704 176.153 174.700 -0.419 0.000 1.084 151 T CA 1.411 63.256 62.100 -0.424 0.000 1.123 151 T CB -0.555 67.831 68.868 -0.804 0.000 0.865 151 T HN 0.371 nan 8.240 nan 0.000 0.496 152 L N -0.362 120.675 121.223 -0.309 0.000 2.622 152 L HA 0.286 4.626 4.340 0.000 0.000 0.233 152 L C 2.000 178.830 176.870 -0.067 0.000 1.156 152 L CA 0.353 55.098 54.840 -0.158 0.000 0.866 152 L CB -0.076 41.978 42.059 -0.008 0.000 0.980 152 L HN 0.328 nan 8.230 nan 0.000 0.448 153 L N -2.757 118.441 121.223 -0.041 0.000 2.817 153 L HA 0.207 4.547 4.340 0.000 0.000 0.248 153 L C 1.084 177.969 176.870 0.025 0.000 1.133 153 L CA 0.856 55.715 54.840 0.031 0.000 0.935 153 L CB 0.082 42.246 42.059 0.176 0.000 1.266 153 L HN 0.061 nan 8.230 nan 0.000 0.535 154 N N -1.303 117.370 118.700 -0.045 0.000 2.220 154 N HA 0.168 4.908 4.740 0.000 0.000 0.195 154 N C 1.362 176.830 175.510 -0.070 0.000 1.123 154 N CA 0.124 53.151 53.050 -0.038 0.000 0.874 154 N CB 0.388 38.839 38.487 -0.061 0.000 0.995 154 N HN 0.255 nan 8.380 nan 0.000 0.498 155 L N 0.676 121.834 121.223 -0.109 0.000 2.141 155 L HA -0.016 4.324 4.340 0.000 0.000 0.209 155 L C 1.058 177.909 176.870 -0.031 0.000 1.094 155 L CA 0.839 55.619 54.840 -0.101 0.000 0.763 155 L CB -0.410 41.566 42.059 -0.138 0.000 0.908 155 L HN 0.264 nan 8.230 nan 0.000 0.437 156 T N -5.368 109.196 114.554 0.016 0.000 2.901 156 T HA 0.446 4.796 4.350 0.000 0.000 0.293 156 T C 0.717 175.502 174.700 0.141 0.000 1.084 156 T CA -0.166 62.004 62.100 0.117 0.000 1.008 156 T CB 1.800 70.781 68.868 0.189 0.000 1.170 156 T HN 0.017 nan 8.240 nan 0.000 0.509 157 G N -0.085 108.803 108.800 0.147 0.000 2.956 157 G HA2 0.325 4.285 3.960 0.000 0.000 0.207 157 G HA3 0.325 4.285 3.960 0.000 0.000 0.207 157 G C -0.092 174.711 174.900 -0.161 0.000 1.162 157 G CA -0.148 44.921 45.100 -0.052 0.000 0.796 157 G HN 0.525 nan 8.290 nan 0.000 0.527 158 F N 0.273 120.206 119.950 -0.028 0.000 2.484 158 F HA 0.644 5.171 4.527 0.000 0.000 0.260 158 F C 1.520 177.238 175.800 -0.137 0.000 0.995 158 F CA -0.389 57.584 58.000 -0.045 0.000 1.075 158 F CB -0.452 38.495 39.000 -0.090 0.000 2.044 158 F HN 0.019 nan 8.300 nan 0.000 0.607 159 G N -0.881 107.827 108.800 -0.152 0.000 2.563 159 G HA2 0.459 4.420 3.960 0.000 0.000 0.283 159 G HA3 0.459 4.420 3.960 0.000 0.000 0.283 159 G C -2.806 171.733 174.900 -0.602 0.000 1.309 159 G CA -1.406 43.106 45.100 -0.980 0.000 1.022 159 G HN 0.171 nan 8.290 nan 0.000 0.501 160 P HA 0.166 nan 4.420 nan 0.000 0.270 160 P C -0.078 177.149 177.300 -0.122 0.000 1.242 160 P CA 0.041 62.963 63.100 -0.297 0.000 0.768 160 P CB 0.471 31.990 31.700 -0.301 0.000 0.820 161 I N 2.184 122.727 120.570 -0.045 0.000 2.588 161 I HA 0.071 4.241 4.170 0.000 0.000 0.283 161 I C 0.759 176.950 176.117 0.123 0.000 1.119 161 I CA 0.771 62.084 61.300 0.023 0.000 1.419 161 I CB 0.396 38.385 38.000 -0.020 0.000 1.394 161 I HN 0.303 nan 8.210 nan 0.000 0.562 162 S N 4.450 120.241 115.700 0.152 0.000 2.600 162 S HA 0.460 4.930 4.470 0.000 0.000 0.300 162 S C -1.195 173.555 174.600 0.250 0.000 1.087 162 S CA -0.511 57.806 58.200 0.195 0.000 0.965 162 S CB 1.817 65.125 63.200 0.180 0.000 1.089 162 S HN 0.437 nan 8.310 nan 0.000 0.496 163 Y N 1.927 122.286 120.300 0.097 0.000 2.328 163 Y HA 0.591 5.141 4.550 0.000 0.000 0.333 163 Y C -1.176 174.638 175.900 -0.143 0.000 0.958 163 Y CA -0.888 57.207 58.100 -0.008 0.000 1.167 163 Y CB 0.575 39.097 38.460 0.103 0.000 1.151 163 Y HN 0.359 nan 8.280 nan 0.000 0.470 164 V N 8.054 127.556 119.914 -0.687 0.000 2.347 164 V HA 0.551 4.671 4.120 0.000 0.000 0.280 164 V C -0.300 175.340 176.094 -0.756 0.000 1.021 164 V CA -0.672 61.260 62.300 -0.613 0.000 0.847 164 V CB 1.171 32.725 31.823 -0.449 0.000 0.990 164 V HN 0.774 nan 8.190 nan 0.000 0.444 165 R N 3.716 123.851 120.500 -0.608 0.000 2.744 165 R HA 0.861 5.201 4.340 0.000 0.000 0.279 165 R C -2.143 174.048 176.300 -0.181 0.000 0.977 165 R CA -0.505 55.332 56.100 -0.437 0.000 0.906 165 R CB 2.462 32.489 30.300 -0.455 0.000 1.197 165 R HN 0.463 nan 8.270 nan 0.000 0.463 166 V N 3.118 122.983 119.914 -0.081 0.000 2.569 166 V HA 0.401 4.521 4.120 0.000 0.000 0.301 166 V C -1.364 174.780 176.094 0.083 0.000 1.044 166 V CA -0.651 61.679 62.300 0.050 0.000 0.874 166 V CB 1.750 33.631 31.823 0.096 0.000 1.002 166 V HN 0.834 nan 8.190 nan 0.000 0.424 167 D N 2.946 123.442 120.400 0.160 0.000 2.419 167 D HA 0.202 4.842 4.640 0.000 0.000 0.219 167 D C 0.753 177.210 176.300 0.261 0.000 1.349 167 D CA -0.361 53.729 54.000 0.149 0.000 0.964 167 D CB 1.757 42.604 40.800 0.079 0.000 1.463 167 D HN 0.425 nan 8.370 nan 0.000 0.573 168 E N 1.776 122.118 120.200 0.236 0.000 2.267 168 E HA -0.157 4.193 4.350 0.000 0.000 0.197 168 E C 0.442 177.214 176.600 0.287 0.000 0.998 168 E CA 0.974 57.537 56.400 0.273 0.000 0.830 168 E CB 0.240 29.983 29.700 0.072 0.000 0.751 168 E HN 0.555 nan 8.360 nan 0.000 0.491 169 D N -0.170 120.335 120.400 0.175 0.000 2.310 169 D HA -0.064 4.576 4.640 0.000 0.000 0.212 169 D C 1.709 178.070 176.300 0.103 0.000 0.965 169 D CA 0.567 54.638 54.000 0.118 0.000 0.879 169 D CB -0.034 40.804 40.800 0.065 0.000 0.921 169 D HN 0.190 nan 8.370 nan 0.000 0.510 170 M N -1.394 118.271 119.600 0.110 0.000 2.319 170 M HA -0.034 4.446 4.480 0.000 0.000 0.265 170 M C 0.874 177.095 176.300 -0.131 0.000 1.068 170 M CA 0.843 56.103 55.300 -0.066 0.000 1.118 170 M CB -0.094 32.388 32.600 -0.198 0.000 1.395 170 M HN 0.122 nan 8.290 nan 0.000 0.435 171 W N 1.429 122.708 121.300 -0.035 0.000 3.096 171 W HA 0.022 4.682 4.660 0.000 0.000 0.241 171 W C 1.173 177.675 176.519 -0.027 0.000 1.316 171 W CA 0.068 57.391 57.345 -0.037 0.000 1.520 171 W CB -1.000 28.461 29.460 0.001 0.000 1.128 171 W HN 0.125 nan 8.180 nan 0.000 0.707 172 S N 0.758 116.531 115.700 0.121 0.000 2.537 172 S HA 0.536 5.006 4.470 0.000 0.000 0.286 172 S C 0.750 175.371 174.600 0.034 0.000 1.299 172 S CA 0.190 58.434 58.200 0.073 0.000 1.067 172 S CB 0.605 63.829 63.200 0.041 0.000 0.864 172 S HN 0.679 nan 8.310 nan 0.000 0.494 173 G N 3.107 111.933 108.800 0.043 0.000 2.582 173 G HA2 -0.170 3.790 3.960 0.000 0.000 0.222 173 G HA3 -0.170 3.790 3.960 0.000 0.000 0.222 173 G C -0.155 174.764 174.900 0.033 0.000 1.311 173 G CA -0.084 45.031 45.100 0.024 0.000 0.915 173 G HN 1.011 nan 8.290 nan 0.000 0.528 174 D N -0.007 120.402 120.400 0.016 0.000 2.352 174 D HA 0.057 4.697 4.640 0.000 0.000 0.232 174 D C 2.346 178.643 176.300 -0.005 0.000 1.055 174 D CA 0.948 54.961 54.000 0.021 0.000 0.891 174 D CB -0.093 40.717 40.800 0.016 0.000 0.897 174 D HN 0.461 nan 8.370 nan 0.000 0.529 175 V N 1.153 121.043 119.914 -0.040 0.000 2.370 175 V HA -0.375 3.745 4.120 0.000 0.000 0.252 175 V C 2.463 178.484 176.094 -0.122 0.000 1.068 175 V CA 2.244 64.463 62.300 -0.135 0.000 1.061 175 V CB -1.203 30.491 31.823 -0.215 0.000 0.656 175 V HN 0.363 nan 8.190 nan 0.000 0.455 176 N N -0.647 118.080 118.700 0.045 0.000 2.039 176 N HA -0.230 4.510 4.740 0.000 0.000 0.193 176 N C 2.005 177.591 175.510 0.127 0.000 1.044 176 N CA 1.412 54.574 53.050 0.187 0.000 0.847 176 N CB -0.067 38.605 38.487 0.308 0.000 1.030 176 N HN 0.435 nan 8.380 nan 0.000 0.422 177 Q N 0.655 120.513 119.800 0.096 0.000 2.029 177 Q HA -0.215 4.125 4.340 0.000 0.000 0.209 177 Q C 2.375 178.398 176.000 0.039 0.000 0.999 177 Q CA 1.446 57.300 55.803 0.085 0.000 0.857 177 Q CB -0.868 27.907 28.738 0.062 0.000 0.926 177 Q HN 0.531 nan 8.270 nan 0.000 0.415 178 L N 0.320 121.526 121.223 -0.029 0.000 2.081 178 L HA -0.228 4.112 4.340 0.000 0.000 0.212 178 L C 2.543 179.288 176.870 -0.208 0.000 1.080 178 L CA 0.908 55.693 54.840 -0.092 0.000 0.754 178 L CB -0.590 41.387 42.059 -0.137 0.000 0.893 178 L HN 0.197 nan 8.230 nan 0.000 0.433 179 L N -0.958 120.100 121.223 -0.275 0.000 2.027 179 L HA -0.222 4.118 4.340 0.000 0.000 0.206 179 L C 2.653 179.416 176.870 -0.179 0.000 1.074 179 L CA 1.339 55.920 54.840 -0.431 0.000 0.745 179 L CB -0.394 41.376 42.059 -0.483 0.000 0.898 179 L HN 0.325 nan 8.230 nan 0.000 0.433 180 M N -0.469 119.121 119.600 -0.016 0.000 2.419 180 M HA -0.265 4.215 4.480 0.000 0.000 0.260 180 M C 1.452 177.818 176.300 0.110 0.000 1.073 180 M CA 1.679 56.917 55.300 -0.105 0.000 1.056 180 M CB -0.878 31.847 32.600 0.208 0.000 1.394 180 M HN 0.376 nan 8.290 nan 0.000 0.444 181 N N -0.782 118.010 118.700 0.153 0.000 2.459 181 N HA -0.120 4.620 4.740 0.000 0.000 0.181 181 N C 0.934 176.652 175.510 0.347 0.000 1.046 181 N CA 0.526 53.731 53.050 0.258 0.000 0.904 181 N CB 0.062 38.689 38.487 0.233 0.000 0.964 181 N HN 0.337 nan 8.380 nan 0.000 0.444 182 Y N 0.243 120.522 120.300 -0.035 0.000 2.517 182 Y HA 0.179 4.729 4.550 0.000 0.000 0.281 182 Y C 0.417 176.437 175.900 0.201 0.000 1.125 182 Y CA -0.780 57.291 58.100 -0.048 0.000 1.283 182 Y CB -0.610 37.805 38.460 -0.076 0.000 1.042 182 Y HN -0.081 nan 8.280 nan 0.000 0.547 183 F N 0.265 120.419 119.950 0.340 0.000 2.629 183 F HA 0.208 4.735 4.527 0.000 0.000 0.369 183 F C 1.670 177.626 175.800 0.260 0.000 1.125 183 F CA 1.201 59.325 58.000 0.207 0.000 1.330 183 F CB 0.484 39.537 39.000 0.087 0.000 1.071 183 F HN 0.308 nan 8.300 nan 0.000 0.595 184 G N 1.319 110.355 108.800 0.393 0.000 2.268 184 G HA2 -0.289 3.671 3.960 0.000 0.000 0.240 184 G HA3 -0.289 3.671 3.960 0.000 0.000 0.240 184 G C -0.154 174.825 174.900 0.133 0.000 1.010 184 G CA -0.111 45.109 45.100 0.200 0.000 0.618 184 G HN 0.723 nan 8.290 nan 0.000 0.516 185 H N 1.323 120.511 119.070 0.196 0.000 2.505 185 H HA 0.599 5.155 4.556 0.000 0.000 0.355 185 H C 1.073 176.566 175.328 0.275 0.000 1.179 185 H CA 0.562 56.719 56.048 0.182 0.000 1.343 185 H CB 0.984 30.808 29.762 0.103 0.000 1.501 185 H HN 0.393 nan 8.280 nan 0.000 0.569 186 T N -1.132 113.648 114.554 0.376 0.000 2.882 186 T HA 0.046 4.396 4.350 0.000 0.000 0.287 186 T C 1.177 176.147 174.700 0.450 0.000 1.014 186 T CA -0.659 61.683 62.100 0.404 0.000 1.049 186 T CB 0.574 69.617 68.868 0.292 0.000 1.001 186 T HN 0.494 nan 8.240 nan 0.000 0.525 187 F N 2.076 122.203 119.950 0.294 0.000 2.069 187 F HA -0.010 4.517 4.527 0.000 0.000 0.298 187 F C 2.590 178.423 175.800 0.056 0.000 1.113 187 F CA 1.919 59.950 58.000 0.051 0.000 1.214 187 F CB -1.153 37.611 39.000 -0.393 0.000 0.978 187 F HN 0.776 nan 8.300 nan 0.000 0.474 188 A N -0.049 122.831 122.820 0.100 0.000 1.903 188 A HA -0.351 3.969 4.320 0.000 0.000 0.219 188 A C 2.243 179.926 177.584 0.165 0.000 1.191 188 A CA 2.274 54.356 52.037 0.076 0.000 0.638 188 A CB -1.296 17.829 19.000 0.209 0.000 0.823 188 A HN 0.641 nan 8.150 nan 0.000 0.451 189 E N -0.340 120.020 120.200 0.265 0.000 2.031 189 E HA -0.166 4.184 4.350 0.000 0.000 0.193 189 E C 1.916 178.529 176.600 0.023 0.000 0.994 189 E CA 1.362 57.897 56.400 0.225 0.000 0.800 189 E CB -0.271 29.612 29.700 0.305 0.000 0.752 189 E HN 0.656 nan 8.360 nan 0.000 0.447 190 I N 0.946 121.507 120.570 -0.015 0.000 2.264 190 I HA -0.303 3.867 4.170 0.000 0.000 0.248 190 I C 2.525 178.536 176.117 -0.176 0.000 1.111 190 I CA 1.105 62.329 61.300 -0.126 0.000 1.382 190 I CB -0.388 37.623 38.000 0.017 0.000 1.060 190 I HN 0.236 nan 8.210 nan 0.000 0.418 191 A N 0.069 122.693 122.820 -0.328 0.000 1.854 191 A HA -0.240 4.080 4.320 0.000 0.000 0.214 191 A C 2.275 179.779 177.584 -0.134 0.000 1.192 191 A CA 1.120 52.945 52.037 -0.353 0.000 0.611 191 A CB -1.109 17.470 19.000 -0.701 0.000 0.832 191 A HN 0.433 nan 8.150 nan 0.000 0.442 192 Y N 1.848 122.043 120.300 -0.176 0.000 2.069 192 Y HA -0.338 4.212 4.550 0.000 0.000 0.278 192 Y C 3.039 178.853 175.900 -0.142 0.000 1.175 192 Y CA 3.206 61.233 58.100 -0.123 0.000 1.134 192 Y CB -0.548 37.827 38.460 -0.142 0.000 0.965 192 Y HN 0.501 nan 8.280 nan 0.000 0.498 193 T N -1.319 113.279 114.554 0.073 0.000 2.652 193 T HA -0.267 4.083 4.350 0.000 0.000 0.267 193 T C 1.957 176.640 174.700 -0.028 0.000 1.039 193 T CA 1.915 64.014 62.100 -0.003 0.000 1.153 193 T CB -1.074 67.747 68.868 -0.078 0.000 0.863 193 T HN 0.429 nan 8.240 nan 0.000 0.428 194 L N 0.402 121.613 121.223 -0.020 0.000 2.042 194 L HA -0.107 4.233 4.340 0.000 0.000 0.210 194 L C 3.293 180.207 176.870 0.074 0.000 1.076 194 L CA 1.383 56.264 54.840 0.068 0.000 0.749 194 L CB -0.877 41.208 42.059 0.043 0.000 0.893 194 L HN 0.452 nan 8.230 nan 0.000 0.432 195 C N -0.828 118.458 119.300 -0.024 0.000 2.432 195 C HA -0.207 4.253 4.460 0.000 0.000 0.277 195 C C 2.901 177.848 174.990 -0.073 0.000 1.249 195 C CA 1.019 60.011 59.018 -0.044 0.000 1.725 195 C CB -0.738 26.922 27.740 -0.133 0.000 2.028 195 C HN 0.560 nan 8.230 nan 0.000 0.477 196 Q N 0.640 120.348 119.800 -0.153 0.000 2.096 196 Q HA -0.178 4.162 4.340 0.000 0.000 0.204 196 Q C 2.037 178.009 176.000 -0.048 0.000 0.982 196 Q CA 1.931 57.655 55.803 -0.132 0.000 0.850 196 Q CB -0.233 28.422 28.738 -0.139 0.000 0.901 196 Q HN 0.668 nan 8.270 nan 0.000 0.422 197 A N -0.357 122.443 122.820 -0.034 0.000 2.235 197 A HA -0.007 4.313 4.320 0.000 0.000 0.208 197 A C 1.925 179.465 177.584 -0.072 0.000 1.172 197 A CA 0.929 52.939 52.037 -0.045 0.000 0.786 197 A CB -0.324 18.642 19.000 -0.057 0.000 0.804 197 A HN 0.399 nan 8.150 nan 0.000 0.479 198 S N 0.053 115.751 115.700 -0.002 0.000 2.387 198 S HA 0.003 4.473 4.470 0.000 0.000 0.226 198 S C 1.999 176.754 174.600 0.259 0.000 1.026 198 S CA 1.248 59.503 58.200 0.092 0.000 0.972 198 S CB -0.294 63.076 63.200 0.283 0.000 0.814 198 S HN 0.776 nan 8.310 nan 0.000 0.477 199 A N 1.042 123.952 122.820 0.149 0.000 2.209 199 A HA 0.079 4.399 4.320 0.000 0.000 0.212 199 A C 1.700 179.372 177.584 0.146 0.000 1.158 199 A CA 0.801 52.933 52.037 0.159 0.000 0.742 199 A CB -0.813 18.219 19.000 0.054 0.000 0.790 199 A HN 0.745 nan 8.150 nan 0.000 0.472 200 N N -0.166 118.587 118.700 0.088 0.000 2.094 200 N HA -0.159 4.581 4.740 0.000 0.000 0.191 200 N C 0.669 176.203 175.510 0.040 0.000 1.023 200 N CA 1.510 54.585 53.050 0.042 0.000 0.857 200 N CB -0.033 38.455 38.487 0.001 0.000 1.013 200 N HN 0.771 nan 8.380 nan 0.000 0.426 201 R N -0.977 119.550 120.500 0.046 0.000 2.709 201 R HA 0.352 4.692 4.340 0.000 0.000 0.270 201 R C -3.269 172.904 176.300 -0.211 0.000 1.038 201 R CA -1.471 54.598 56.100 -0.051 0.000 0.872 201 R CB 0.989 31.262 30.300 -0.046 0.000 1.259 201 R HN -0.233 nan 8.270 nan 0.000 0.473 202 P HA 0.137 nan 4.420 nan 0.000 0.275 202 P C -0.724 176.347 177.300 -0.382 0.000 1.228 202 P CA -0.191 62.337 63.100 -0.954 0.000 0.786 202 P CB 0.487 31.735 31.700 -0.752 0.000 0.927 203 W N 1.131 122.304 121.300 -0.211 0.000 2.850 203 W HA 0.470 5.130 4.660 0.000 0.000 0.349 203 W C -0.371 176.161 176.519 0.023 0.000 1.133 203 W CA -0.977 56.330 57.345 -0.062 0.000 1.117 203 W CB 0.326 29.778 29.460 -0.014 0.000 1.442 203 W HN 0.314 nan 8.180 nan 0.000 0.575 204 E N 1.303 121.732 120.200 0.381 0.000 2.331 204 E HA -0.038 4.312 4.350 0.000 0.000 0.272 204 E C 1.344 178.227 176.600 0.472 0.000 1.036 204 E CA -0.421 56.163 56.400 0.305 0.000 0.864 204 E CB 0.975 30.795 29.700 0.201 0.000 1.035 204 E HN 0.447 nan 8.360 nan 0.000 0.408 205 H N 2.498 121.700 119.070 0.219 0.000 2.541 205 H HA -0.109 4.447 4.556 0.000 0.000 0.289 205 H C -0.036 175.417 175.328 0.208 0.000 1.054 205 H CA 1.302 57.504 56.048 0.258 0.000 1.250 205 H CB -0.087 29.732 29.762 0.095 0.000 1.369 205 H HN 0.510 nan 8.280 nan 0.000 0.578 206 D N -0.536 119.659 120.400 -0.342 0.000 2.740 206 D HA 0.268 4.908 4.640 0.000 0.000 0.301 206 D C 0.752 176.980 176.300 -0.121 0.000 1.408 206 D CA -0.226 53.580 54.000 -0.323 0.000 0.808 206 D CB -0.295 40.191 40.800 -0.523 0.000 1.128 206 D HN 0.358 nan 8.370 nan 0.000 0.465 207 G N -0.169 108.630 108.800 -0.001 0.000 2.462 207 G HA2 0.383 4.343 3.960 0.000 0.000 0.319 207 G HA3 0.383 4.343 3.960 0.000 0.000 0.319 207 G C 1.283 176.160 174.900 -0.039 0.000 1.171 207 G CA -0.129 44.982 45.100 0.018 0.000 0.920 207 G HN 0.058 nan 8.290 nan 0.000 0.499 208 T N -1.780 112.747 114.554 -0.045 0.000 2.792 208 T HA -0.348 4.002 4.350 0.000 0.000 0.268 208 T C 1.762 176.391 174.700 -0.118 0.000 1.059 208 T CA 2.047 64.090 62.100 -0.095 0.000 1.136 208 T CB -0.440 68.388 68.868 -0.067 0.000 0.846 208 T HN 0.490 nan 8.240 nan 0.000 0.489 209 Y N 2.445 122.605 120.300 -0.232 0.000 2.134 209 Y HA 0.299 4.849 4.550 0.000 0.000 0.283 209 Y C 2.858 178.505 175.900 -0.421 0.000 1.108 209 Y CA 0.831 58.717 58.100 -0.356 0.000 1.096 209 Y CB -1.167 36.980 38.460 -0.521 0.000 1.005 209 Y HN 0.217 nan 8.280 nan 0.000 0.487 210 A N 1.367 123.897 122.820 -0.484 0.000 1.940 210 A HA -0.300 4.020 4.320 0.000 0.000 0.221 210 A C 2.340 179.709 177.584 -0.358 0.000 1.190 210 A CA 2.431 54.183 52.037 -0.475 0.000 0.647 210 A CB -0.772 18.206 19.000 -0.037 0.000 0.821 210 A HN 0.593 nan 8.150 nan 0.000 0.457 211 R N -1.431 118.894 120.500 -0.291 0.000 2.062 211 R HA -0.042 4.298 4.340 0.000 0.000 0.231 211 R C 2.397 178.457 176.300 -0.400 0.000 1.136 211 R CA 1.619 57.537 56.100 -0.304 0.000 0.948 211 R CB -0.501 29.629 30.300 -0.283 0.000 0.845 211 R HN 0.591 nan 8.270 nan 0.000 0.430 212 M N 0.515 119.855 119.600 -0.434 0.000 2.080 212 M HA -0.179 4.301 4.480 0.000 0.000 0.260 212 M C 2.615 178.671 176.300 -0.406 0.000 1.068 212 M CA 2.346 57.362 55.300 -0.473 0.000 1.109 212 M CB -0.712 31.622 32.600 -0.444 0.000 1.342 212 M HN 0.321 nan 8.290 nan 0.000 0.405 213 T N -1.318 112.955 114.554 -0.467 0.000 2.759 213 T HA -0.214 4.136 4.350 0.000 0.000 0.269 213 T C 1.647 176.218 174.700 -0.215 0.000 1.042 213 T CA 1.552 63.425 62.100 -0.379 0.000 1.140 213 T CB -0.423 68.079 68.868 -0.609 0.000 0.864 213 T HN 0.508 nan 8.240 nan 0.000 0.455 214 Q N 0.369 120.032 119.800 -0.229 0.000 2.079 214 Q HA 0.095 4.435 4.340 0.000 0.000 0.200 214 Q C 2.532 178.438 176.000 -0.156 0.000 0.974 214 Q CA 1.462 57.186 55.803 -0.130 0.000 0.840 214 Q CB -0.302 28.370 28.738 -0.111 0.000 0.898 214 Q HN 0.586 nan 8.270 nan 0.000 0.430 215 I N 0.640 121.045 120.570 -0.275 0.000 2.226 215 I HA -0.264 3.906 4.170 0.000 0.000 0.245 215 I C 2.161 178.175 176.117 -0.171 0.000 1.100 215 I CA 0.747 61.846 61.300 -0.334 0.000 1.374 215 I CB -0.302 37.303 38.000 -0.659 0.000 1.057 215 I HN 0.232 nan 8.210 nan 0.000 0.413 216 I N 0.839 121.351 120.570 -0.096 0.000 2.099 216 I HA -0.290 3.880 4.170 0.000 0.000 0.239 216 I C 2.646 178.937 176.117 0.289 0.000 1.066 216 I CA 1.790 63.180 61.300 0.150 0.000 1.324 216 I CB -1.064 37.050 38.000 0.190 0.000 1.037 216 I HN 0.237 nan 8.210 nan 0.000 0.401 217 L N 0.246 121.601 121.223 0.221 0.000 1.997 217 L HA -0.327 4.013 4.340 0.000 0.000 0.216 217 L C 2.841 179.913 176.870 0.337 0.000 1.074 217 L CA 1.986 57.023 54.840 0.327 0.000 0.763 217 L CB -0.765 41.434 42.059 0.234 0.000 0.890 217 L HN 0.312 nan 8.230 nan 0.000 0.434 218 S N 0.177 115.959 115.700 0.137 0.000 2.377 218 S HA -0.256 4.214 4.470 0.000 0.000 0.224 218 S C 2.017 176.705 174.600 0.147 0.000 1.042 218 S CA 1.865 60.109 58.200 0.074 0.000 1.086 218 S CB -0.469 62.691 63.200 -0.066 0.000 0.995 218 S HN 0.316 nan 8.310 nan 0.000 0.428 219 L N -0.047 121.259 121.223 0.139 0.000 2.021 219 L HA -0.137 4.203 4.340 0.000 0.000 0.215 219 L C 2.409 179.515 176.870 0.392 0.000 1.074 219 L CA 2.170 57.159 54.840 0.248 0.000 0.760 219 L CB -0.795 41.421 42.059 0.261 0.000 0.889 219 L HN 0.437 nan 8.230 nan 0.000 0.433 220 F N -0.039 120.042 119.950 0.219 0.000 2.010 220 F HA -0.273 4.254 4.527 0.000 0.000 0.296 220 F C 2.156 177.723 175.800 -0.389 0.000 1.146 220 F CA 1.588 59.377 58.000 -0.352 0.000 1.181 220 F CB -0.862 37.538 39.000 -0.999 0.000 0.965 220 F HN -0.040 nan 8.300 nan 0.000 0.480 221 W N 0.800 121.875 121.300 -0.375 0.000 2.318 221 W HA -0.235 4.425 4.660 0.000 0.000 0.313 221 W C 2.511 178.883 176.519 -0.244 0.000 1.221 221 W CA 1.809 58.914 57.345 -0.401 0.000 1.266 221 W CB -1.022 28.344 29.460 -0.157 0.000 1.150 221 W HN 0.074 nan 8.180 nan 0.000 0.496 222 L N -0.316 120.976 121.223 0.114 0.000 2.129 222 L HA -0.286 4.054 4.340 0.000 0.000 0.212 222 L C 2.314 179.246 176.870 0.104 0.000 1.087 222 L CA 1.470 56.378 54.840 0.113 0.000 0.757 222 L CB -0.823 41.326 42.059 0.151 0.000 0.896 222 L HN -0.048 nan 8.230 nan 0.000 0.434 223 S N -1.615 114.124 115.700 0.064 0.000 2.388 223 S HA -0.153 4.317 4.470 0.000 0.000 0.223 223 S C 1.806 176.492 174.600 0.145 0.000 1.034 223 S CA 0.439 58.753 58.200 0.190 0.000 0.963 223 S CB -0.358 63.028 63.200 0.310 0.000 0.827 223 S HN 0.353 nan 8.310 nan 0.000 0.481 224 Y N 2.602 122.560 120.300 -0.570 0.000 2.151 224 Y HA -0.175 4.375 4.550 0.000 0.000 0.284 224 Y C 2.126 177.998 175.900 -0.048 0.000 1.166 224 Y CA 1.080 58.740 58.100 -0.733 0.000 1.163 224 Y CB -0.483 37.122 38.460 -1.424 0.000 0.974 224 Y HN 0.045 nan 8.280 nan 0.000 0.511 225 V N -1.028 118.899 119.914 0.021 0.000 2.788 225 V HA 0.076 4.196 4.120 0.000 0.000 0.251 225 V C 1.897 178.082 176.094 0.153 0.000 1.068 225 V CA 1.510 63.846 62.300 0.061 0.000 1.090 225 V CB -0.483 31.372 31.823 0.054 0.000 0.710 225 V HN 0.706 nan 8.190 nan 0.000 0.467 226 G N -0.839 108.071 108.800 0.184 0.000 2.201 226 G HA2 -0.248 3.712 3.960 0.000 0.000 0.212 226 G HA3 -0.248 3.712 3.960 0.000 0.000 0.212 226 G C 0.740 175.682 174.900 0.070 0.000 0.994 226 G CA 0.318 45.426 45.100 0.012 0.000 0.644 226 G HN 0.209 nan 8.290 nan 0.000 0.508 227 V N 1.152 121.115 119.914 0.082 0.000 2.343 227 V HA 0.049 4.169 4.120 0.000 0.000 0.247 227 V C 1.634 177.751 176.094 0.039 0.000 1.051 227 V CA 1.623 63.960 62.300 0.061 0.000 1.036 227 V CB -0.313 31.542 31.823 0.053 0.000 0.654 227 V HN 0.434 nan 8.190 nan 0.000 0.451 228 I N 1.010 121.632 120.570 0.085 0.000 2.498 228 I HA 0.498 4.668 4.170 0.000 0.000 0.301 228 I C 0.035 176.217 176.117 0.108 0.000 0.984 228 I CA -0.038 61.285 61.300 0.038 0.000 1.204 228 I CB 0.926 39.042 38.000 0.193 0.000 1.362 228 I HN 0.533 nan 8.210 nan 0.000 0.471 229 H N 2.726 121.846 119.070 0.083 0.000 2.887 229 H HA 0.138 4.694 4.556 0.000 0.000 0.290 229 H C -0.051 175.024 175.328 -0.421 0.000 1.429 229 H CA -0.657 55.396 56.048 0.008 0.000 1.137 229 H CB 1.315 31.059 29.762 -0.029 0.000 1.824 229 H HN 0.503 nan 8.280 nan 0.000 0.520 230 Q N -0.208 119.344 119.800 -0.414 0.000 2.242 230 Q HA -0.198 4.142 4.340 0.000 0.000 0.211 230 Q C 0.350 176.075 176.000 -0.458 0.000 0.992 230 Q CA 2.305 57.599 55.803 -0.849 0.000 0.889 230 Q CB 0.077 28.618 28.738 -0.329 0.000 0.913 230 Q HN 0.624 nan 8.270 nan 0.000 0.422 231 Q N -0.684 119.134 119.800 0.029 0.000 2.155 231 Q HA 0.200 4.540 4.340 0.000 0.000 0.273 231 Q C -0.838 175.143 176.000 -0.032 0.000 0.857 231 Q CA -0.138 55.643 55.803 -0.036 0.000 1.116 231 Q CB 0.755 29.533 28.738 0.067 0.000 1.209 231 Q HN 0.111 nan 8.270 nan 0.000 0.460 232 N N 0.972 119.445 118.700 -0.379 0.000 2.926 232 N HA -0.014 4.726 4.740 0.000 0.000 0.201 232 N C -1.122 174.206 175.510 -0.303 0.000 1.419 232 N CA 0.063 52.863 53.050 -0.417 0.000 0.838 232 N CB 0.699 38.737 38.487 -0.747 0.000 1.534 232 N HN 0.150 nan 8.380 nan 0.000 0.569 233 T N -1.898 112.583 114.554 -0.122 0.000 2.849 233 T HA 0.288 4.638 4.350 0.000 0.000 0.284 233 T C -0.177 174.591 174.700 0.113 0.000 1.004 233 T CA -0.311 61.818 62.100 0.047 0.000 1.021 233 T CB 1.172 70.104 68.868 0.107 0.000 1.013 233 T HN 0.274 nan 8.240 nan 0.000 0.527 234 Y N 1.512 121.880 120.300 0.112 0.000 2.504 234 Y HA 0.390 4.940 4.550 0.000 0.000 0.339 234 Y C 0.815 176.762 175.900 0.079 0.000 0.974 234 Y CA -0.907 57.223 58.100 0.050 0.000 1.232 234 Y CB 0.230 38.747 38.460 0.095 0.000 1.108 234 Y HN 0.927 nan 8.280 nan 0.000 0.509 235 R N 3.510 124.070 120.500 0.099 0.000 3.516 235 R HA -0.269 4.071 4.340 0.000 0.000 0.271 235 R C 0.765 177.270 176.300 0.342 0.000 1.098 235 R CA 1.148 57.315 56.100 0.112 0.000 0.732 235 R CB -2.242 27.995 30.300 -0.104 0.000 1.152 235 R HN 1.097 nan 8.270 nan 0.000 0.455 236 T N -6.939 107.773 114.554 0.263 0.000 6.412 236 T HA -0.276 4.074 4.350 0.000 0.000 0.279 236 T C 0.113 174.986 174.700 0.287 0.000 2.177 236 T CA 1.376 63.601 62.100 0.208 0.000 3.599 236 T CB -1.861 67.067 68.868 0.100 0.000 1.259 236 T HN 0.270 nan 8.240 nan 0.000 1.146 237 F N 2.387 122.557 119.950 0.367 0.000 2.404 237 F HA 0.704 5.231 4.527 0.000 0.000 0.339 237 F C 0.229 176.275 175.800 0.410 0.000 1.105 237 F CA -0.559 57.671 58.000 0.383 0.000 1.087 237 F CB 1.183 40.326 39.000 0.237 0.000 1.143 237 F HN 0.461 nan 8.300 nan 0.000 0.491 238 Y N 0.788 121.264 120.300 0.294 0.000 2.409 238 Y HA 0.493 5.043 4.550 0.000 0.000 0.321 238 Y C -2.073 173.971 175.900 0.239 0.000 1.209 238 Y CA -2.072 56.179 58.100 0.252 0.000 1.086 238 Y CB 0.168 38.766 38.460 0.229 0.000 1.320 238 Y HN 0.408 nan 8.280 nan 0.000 0.440 239 F N 3.891 124.010 119.950 0.282 0.000 2.420 239 F HA 0.334 4.861 4.527 0.000 0.000 0.352 239 F C 0.433 176.473 175.800 0.401 0.000 1.108 239 F CA -0.008 58.167 58.000 0.293 0.000 1.162 239 F CB 1.411 40.638 39.000 0.378 0.000 1.118 239 F HN 0.633 nan 8.300 nan 0.000 0.510 240 Q N 4.494 124.535 119.800 0.402 0.000 2.307 240 Q HA 0.330 4.670 4.340 0.000 0.000 0.262 240 Q C -1.134 174.935 176.000 0.115 0.000 0.961 240 Q CA -0.762 55.221 55.803 0.300 0.000 0.882 240 Q CB 1.544 30.355 28.738 0.122 0.000 1.264 240 Q HN 0.810 nan 8.270 nan 0.000 0.446 241 C N 4.576 123.693 119.300 -0.305 0.000 2.435 241 C HA 0.210 4.670 4.460 0.000 0.000 0.375 241 C C 1.683 176.398 174.990 -0.458 0.000 1.281 241 C CA -0.328 58.110 59.018 -0.967 0.000 1.963 241 C CB -0.398 26.066 27.740 -2.126 0.000 2.490 241 C HN 1.210 nan 8.230 nan 0.000 0.557 242 N N 2.813 121.296 118.700 -0.363 0.000 2.005 242 N HA -0.174 4.566 4.740 0.000 0.000 0.199 242 N C 0.231 175.637 175.510 -0.174 0.000 1.054 242 N CA 1.483 54.420 53.050 -0.188 0.000 0.864 242 N CB -0.002 38.397 38.487 -0.146 0.000 1.063 242 N HN 0.878 nan 8.380 nan 0.000 0.428 243 R N 0.052 120.426 120.500 -0.211 0.000 2.797 243 R HA 0.359 4.699 4.340 0.000 0.000 0.274 243 R C -1.152 175.033 176.300 -0.192 0.000 1.652 243 R CA -0.838 55.170 56.100 -0.153 0.000 1.175 243 R CB 0.727 30.974 30.300 -0.089 0.000 1.283 243 R HN 0.017 nan 8.270 nan 0.000 0.513 244 R N 1.352 121.695 120.500 -0.262 0.000 2.678 244 R HA 0.148 4.488 4.340 0.000 0.000 0.264 244 R C 1.315 177.537 176.300 -0.130 0.000 0.995 244 R CA 2.646 58.569 56.100 -0.295 0.000 1.098 244 R CB 0.107 30.145 30.300 -0.437 0.000 0.949 244 R HN 0.938 nan 8.270 nan 0.000 0.422 245 G N 1.889 110.647 108.800 -0.069 0.000 2.363 245 G HA2 -0.364 3.596 3.960 0.000 0.000 0.238 245 G HA3 -0.364 3.596 3.960 0.000 0.000 0.238 245 G C 0.107 175.022 174.900 0.026 0.000 1.062 245 G CA 0.332 45.433 45.100 0.001 0.000 0.629 245 G HN 0.795 nan 8.290 nan 0.000 0.514 246 D N 0.762 121.162 120.400 0.000 0.000 2.370 246 D HA 0.513 5.153 4.640 0.000 0.000 0.235 246 D C 1.850 178.185 176.300 0.057 0.000 1.228 246 D CA 1.236 55.245 54.000 0.014 0.000 0.884 246 D CB 0.387 41.178 40.800 -0.014 0.000 1.201 246 D HN 0.814 nan 8.370 nan 0.000 0.456 247 A N 2.264 125.125 122.820 0.068 0.000 1.884 247 A HA 0.044 4.364 4.320 0.000 0.000 0.219 247 A C 1.103 178.755 177.584 0.113 0.000 1.197 247 A CA 2.016 54.124 52.037 0.117 0.000 0.637 247 A CB -0.781 18.297 19.000 0.131 0.000 0.827 247 A HN 0.671 nan 8.150 nan 0.000 0.450 248 A N 0.031 122.900 122.820 0.082 0.000 2.323 248 A HA 0.563 4.883 4.320 0.000 0.000 0.305 248 A C -0.406 177.220 177.584 0.069 0.000 1.275 248 A CA -0.511 51.577 52.037 0.084 0.000 0.804 248 A CB 0.395 19.432 19.000 0.061 0.000 1.152 248 A HN 0.483 nan 8.150 nan 0.000 0.487 249 E N 0.639 120.909 120.200 0.117 0.000 2.373 249 E HA 0.427 4.777 4.350 0.000 0.000 0.263 249 E C -0.844 175.817 176.600 0.102 0.000 1.073 249 E CA -0.117 56.332 56.400 0.083 0.000 0.894 249 E CB 1.426 31.273 29.700 0.245 0.000 1.008 249 E HN 0.369 nan 8.360 nan 0.000 0.420 250 V N 3.357 123.240 119.914 -0.051 0.000 2.419 250 V HA 0.224 4.344 4.120 0.000 0.000 0.287 250 V C -1.272 174.808 176.094 -0.025 0.000 1.017 250 V CA -0.816 61.511 62.300 0.045 0.000 0.844 250 V CB 0.348 32.178 31.823 0.010 0.000 1.011 250 V HN 0.606 nan 8.190 nan 0.000 0.429 251 W N 5.040 126.429 121.300 0.150 0.000 2.469 251 W HA 0.797 5.457 4.660 0.000 0.000 0.320 251 W C -0.237 176.489 176.519 0.345 0.000 1.086 251 W CA -0.623 56.850 57.345 0.215 0.000 1.211 251 W CB 1.253 30.798 29.460 0.142 0.000 1.298 251 W HN 0.315 nan 8.180 nan 0.000 0.525 252 I N 3.785 124.710 120.570 0.592 0.000 2.498 252 I HA 0.188 4.358 4.170 0.000 0.000 0.290 252 I C -0.739 175.656 176.117 0.463 0.000 1.032 252 I CA -1.351 60.252 61.300 0.504 0.000 1.073 252 I CB 1.732 39.883 38.000 0.251 0.000 1.251 252 I HN 0.071 nan 8.210 nan 0.000 0.426 253 L N 6.121 127.558 121.223 0.356 0.000 2.485 253 L HA 0.241 4.581 4.340 0.000 0.000 0.279 253 L C -0.039 176.872 176.870 0.068 0.000 1.124 253 L CA 1.047 55.809 54.840 -0.129 0.000 0.888 253 L CB 0.012 42.012 42.059 -0.098 0.000 1.217 253 L HN 0.546 nan 8.230 nan 0.000 0.464 254 S N 3.433 119.021 115.700 -0.187 0.000 2.704 254 S HA 0.588 5.058 4.470 0.000 0.000 0.305 254 S C -0.990 173.486 174.600 -0.207 0.000 1.107 254 S CA -0.632 57.416 58.200 -0.253 0.000 0.993 254 S CB 1.645 64.571 63.200 -0.457 0.000 1.110 254 S HN 0.793 nan 8.310 nan 0.000 0.534 255 C N 1.451 120.565 119.300 -0.311 0.000 2.411 255 C HA 0.871 5.331 4.460 0.000 0.000 0.330 255 C C -0.218 174.806 174.990 0.057 0.000 1.224 255 C CA -0.214 58.610 59.018 -0.323 0.000 1.770 255 C CB 0.786 27.877 27.740 -1.080 0.000 2.297 255 C HN 0.733 nan 8.230 nan 0.000 0.507 256 S N 4.995 120.760 115.700 0.109 0.000 2.720 256 S HA 0.624 5.094 4.470 0.000 0.000 0.278 256 S C -1.186 173.431 174.600 0.029 0.000 1.172 256 S CA -0.482 57.739 58.200 0.036 0.000 1.019 256 S CB 0.500 63.633 63.200 -0.111 0.000 1.049 256 S HN 0.758 nan 8.310 nan 0.000 0.483 257 L N 4.381 125.627 121.223 0.038 0.000 2.379 257 L HA 0.601 4.941 4.340 0.000 0.000 0.269 257 L C 0.675 177.652 176.870 0.179 0.000 1.084 257 L CA -0.784 54.100 54.840 0.073 0.000 0.802 257 L CB 0.508 42.585 42.059 0.030 0.000 1.175 257 L HN 0.789 nan 8.230 nan 0.000 0.448 258 N N 0.570 119.324 118.700 0.090 0.000 2.829 258 N HA -0.207 4.533 4.740 0.000 0.000 0.250 258 N C -0.189 175.195 175.510 -0.210 0.000 1.090 258 N CA 0.915 53.949 53.050 -0.026 0.000 0.781 258 N CB -1.245 37.205 38.487 -0.061 0.000 1.124 258 N HN 0.746 nan 8.380 nan 0.000 0.559 259 H N -1.458 117.581 119.070 -0.053 0.000 2.904 259 H HA 0.276 4.832 4.556 0.000 0.000 0.242 259 H C -0.329 174.949 175.328 -0.084 0.000 1.193 259 H CA -0.215 55.792 56.048 -0.069 0.000 0.946 259 H CB 0.471 30.185 29.762 -0.080 0.000 2.135 259 H HN 0.019 nan 8.280 nan 0.000 0.652 260 S N 1.269 116.969 115.700 0.001 0.000 2.549 260 S HA 0.457 4.927 4.470 0.000 0.000 0.286 260 S C 0.816 175.362 174.600 -0.090 0.000 1.314 260 S CA -0.128 58.047 58.200 -0.042 0.000 1.062 260 S CB 0.806 63.971 63.200 -0.059 0.000 0.865 260 S HN 0.531 nan 8.310 nan 0.000 0.498 261 A N 3.184 125.929 122.820 -0.126 0.000 2.271 261 A HA 0.451 4.771 4.320 0.000 0.000 0.288 261 A C 0.067 177.538 177.584 -0.188 0.000 1.094 261 A CA -0.676 51.274 52.037 -0.146 0.000 0.828 261 A CB 0.299 19.212 19.000 -0.146 0.000 1.091 261 A HN 0.664 nan 8.150 nan 0.000 0.493 262 Q N 1.176 120.883 119.800 -0.154 0.000 2.361 262 Q HA 0.280 4.620 4.340 0.000 0.000 0.250 262 Q C -0.649 175.246 176.000 -0.175 0.000 1.023 262 Q CA 0.031 55.741 55.803 -0.154 0.000 0.915 262 Q CB 0.746 29.421 28.738 -0.106 0.000 1.238 262 Q HN 0.492 nan 8.270 nan 0.000 0.451 263 I N 2.940 123.369 120.570 -0.234 0.000 2.353 263 I HA 0.278 4.448 4.170 0.000 0.000 0.293 263 I C 0.809 176.845 176.117 -0.135 0.000 0.992 263 I CA -0.523 60.641 61.300 -0.227 0.000 1.268 263 I CB 0.815 38.582 38.000 -0.388 0.000 1.387 263 I HN 0.285 nan 8.210 nan 0.000 0.478 264 R N 6.087 126.536 120.500 -0.085 0.000 2.389 264 R HA 0.300 4.640 4.340 0.000 0.000 0.295 264 R C -2.170 174.109 176.300 -0.035 0.000 1.075 264 R CA -1.391 54.677 56.100 -0.053 0.000 1.005 264 R CB 0.069 30.348 30.300 -0.036 0.000 0.987 264 R HN 0.335 nan 8.270 nan 0.000 0.452 265 P HA 0.135 nan 4.420 nan 0.000 0.269 265 P C -0.166 177.134 177.300 -0.000 0.000 1.209 265 P CA 0.303 63.395 63.100 -0.013 0.000 0.776 265 P CB 0.926 32.617 31.700 -0.014 0.000 0.876 266 G N 1.237 110.045 108.800 0.013 0.000 2.354 266 G HA2 0.067 4.027 3.960 0.000 0.000 0.582 266 G HA3 0.067 4.027 3.960 0.000 0.000 0.582 266 G C -1.615 173.300 174.900 0.025 0.000 1.316 266 G CA -0.919 44.191 45.100 0.015 0.000 0.995 266 G HN 0.624 nan 8.290 nan 0.000 0.573 267 N N -0.263 118.449 118.700 0.020 0.000 2.443 267 N HA 0.702 5.442 4.740 0.000 0.000 0.269 267 N C -0.227 175.286 175.510 0.005 0.000 0.985 267 N CA -0.571 52.492 53.050 0.021 0.000 0.921 267 N CB 0.996 39.498 38.487 0.025 0.000 1.195 267 N HN 0.662 nan 8.380 nan 0.000 0.492 268 R N 1.417 121.911 120.500 -0.010 0.000 2.686 268 R HA 0.698 5.038 4.340 0.000 0.000 0.283 268 R C -1.085 175.161 176.300 -0.089 0.000 0.978 268 R CA -0.850 55.229 56.100 -0.035 0.000 0.897 268 R CB 1.913 32.194 30.300 -0.031 0.000 1.192 268 R HN 0.725 nan 8.270 nan 0.000 0.457 269 S N 1.548 117.181 115.700 -0.112 0.000 2.588 269 S HA 0.805 5.275 4.470 0.000 0.000 0.269 269 S C -1.368 173.104 174.600 -0.214 0.000 1.157 269 S CA -0.983 57.078 58.200 -0.231 0.000 0.824 269 S CB 1.650 64.731 63.200 -0.198 0.000 1.126 269 S HN 0.466 nan 8.310 nan 0.000 0.464 270 L N -2.591 118.423 121.223 -0.347 0.000 2.940 270 L HA 0.835 5.175 4.340 0.000 0.000 0.270 270 L C -1.836 174.828 176.870 -0.344 0.000 1.030 270 L CA -1.017 53.682 54.840 -0.235 0.000 0.928 270 L CB 0.181 42.172 42.059 -0.112 0.000 1.506 270 L HN 0.734 nan 8.230 nan 0.000 0.405 271 F N 0.739 120.758 119.950 0.115 0.000 2.480 271 F HA 0.871 5.398 4.527 0.000 0.000 0.329 271 F C 0.366 176.164 175.800 -0.003 0.000 1.091 271 F CA -0.736 57.300 58.000 0.061 0.000 0.972 271 F CB 2.273 41.327 39.000 0.090 0.000 1.150 271 F HN 0.586 nan 8.300 nan 0.000 0.467 272 V N 1.198 121.136 119.914 0.041 0.000 3.046 272 V HA 0.867 4.987 4.120 0.000 0.000 0.316 272 V C -0.653 175.457 176.094 0.027 0.000 1.104 272 V CA -1.167 61.091 62.300 -0.069 0.000 1.006 272 V CB 2.094 33.591 31.823 -0.544 0.000 1.058 272 V HN 0.837 nan 8.190 nan 0.000 0.440 273 M N 0.267 119.977 119.600 0.184 0.000 2.342 273 M HA 0.562 5.042 4.480 0.000 0.000 0.276 273 M C -3.363 172.968 176.300 0.052 0.000 1.054 273 M CA -1.201 54.169 55.300 0.117 0.000 0.930 273 M CB 2.236 34.812 32.600 -0.040 0.000 1.929 273 M HN 0.485 nan 8.290 nan 0.000 0.492 274 P HA 0.187 nan 4.420 nan 0.000 0.275 274 P C 0.111 177.221 177.300 -0.316 0.000 1.228 274 P CA 0.116 62.775 63.100 -0.735 0.000 0.786 274 P CB 1.406 32.842 31.700 -0.440 0.000 0.927 275 T N -2.659 111.761 114.554 -0.223 0.000 2.971 275 T HA 0.077 4.427 4.350 0.000 0.000 0.252 275 T C 0.732 175.501 174.700 0.116 0.000 1.022 275 T CA -0.006 62.192 62.100 0.163 0.000 0.980 275 T CB -0.536 68.440 68.868 0.180 0.000 1.044 275 T HN 0.447 nan 8.240 nan 0.000 0.501 276 S N 2.495 118.171 115.700 -0.039 0.000 2.499 276 S HA 0.367 4.837 4.470 0.000 0.000 0.275 276 S C -1.959 172.477 174.600 -0.272 0.000 1.257 276 S CA -1.145 56.944 58.200 -0.185 0.000 1.050 276 S CB 1.250 64.422 63.200 -0.047 0.000 0.937 276 S HN -0.019 nan 8.310 nan 0.000 0.490 277 P HA -0.206 nan 4.420 nan 0.000 0.218 277 P C 0.799 177.659 177.300 -0.734 0.000 1.147 277 P CA 1.469 64.004 63.100 -0.942 0.000 0.827 277 P CB -0.173 30.517 31.700 -1.683 0.000 0.778 278 D N -1.434 118.725 120.400 -0.403 0.000 2.407 278 D HA -0.176 4.464 4.640 0.000 0.000 0.234 278 D C 1.477 177.749 176.300 -0.047 0.000 1.029 278 D CA 0.296 54.249 54.000 -0.077 0.000 0.937 278 D CB -1.432 39.494 40.800 0.210 0.000 0.882 278 D HN 0.480 nan 8.370 nan 0.000 0.531 279 W N 0.825 122.062 121.300 -0.105 0.000 2.576 279 W HA 0.109 4.769 4.660 0.000 0.000 0.270 279 W C 0.772 177.267 176.519 -0.039 0.000 1.255 279 W CA -0.315 56.999 57.345 -0.052 0.000 1.314 279 W CB -0.996 28.421 29.460 -0.072 0.000 1.101 279 W HN -0.159 nan 8.180 nan 0.000 0.595 280 N N 1.514 119.615 118.700 -0.998 0.000 2.588 280 N HA -0.115 4.625 4.740 0.000 0.000 0.190 280 N C 0.983 176.318 175.510 -0.293 0.000 1.094 280 N CA 1.473 53.965 53.050 -0.929 0.000 0.921 280 N CB -0.234 37.681 38.487 -0.953 0.000 0.959 280 N HN 0.372 nan 8.380 nan 0.000 0.448 281 M N -0.488 119.032 119.600 -0.134 0.000 2.705 281 M HA 0.133 4.613 4.480 0.000 0.000 0.387 281 M C -0.674 175.670 176.300 0.073 0.000 1.204 281 M CA -0.153 55.143 55.300 -0.007 0.000 0.905 281 M CB 0.866 33.468 32.600 0.003 0.000 1.394 281 M HN -0.254 nan 8.290 nan 0.000 0.515 282 D N 0.887 121.356 120.400 0.116 0.000 2.412 282 D HA 0.228 4.868 4.640 0.000 0.000 0.276 282 D C 0.934 177.319 176.300 0.142 0.000 1.196 282 D CA -0.189 53.903 54.000 0.154 0.000 0.905 282 D CB 1.094 42.013 40.800 0.198 0.000 1.081 282 D HN -0.035 nan 8.370 nan 0.000 0.502 283 V N 3.291 123.276 119.914 0.119 0.000 2.311 283 V HA -0.385 3.735 4.120 0.000 0.000 0.256 283 V C 1.818 177.967 176.094 0.092 0.000 1.077 283 V CA 2.318 64.683 62.300 0.107 0.000 1.067 283 V CB -0.733 31.154 31.823 0.106 0.000 0.659 283 V HN 0.496 nan 8.190 nan 0.000 0.451 284 N N 0.380 119.128 118.700 0.081 0.000 2.080 284 N HA -0.092 4.648 4.740 0.000 0.000 0.189 284 N C 1.786 177.239 175.510 -0.095 0.000 1.036 284 N CA 1.346 54.394 53.050 -0.003 0.000 0.846 284 N CB -0.440 37.935 38.487 -0.187 0.000 1.015 284 N HN 0.355 nan 8.380 nan 0.000 0.423 285 L N 0.692 121.867 121.223 -0.079 0.000 2.051 285 L HA -0.187 4.153 4.340 0.000 0.000 0.214 285 L C 2.284 179.185 176.870 0.052 0.000 1.076 285 L CA 1.208 56.046 54.840 -0.004 0.000 0.758 285 L CB -0.461 41.672 42.059 0.123 0.000 0.890 285 L HN 0.317 nan 8.230 nan 0.000 0.433 286 I N -0.975 119.621 120.570 0.044 0.000 2.761 286 I HA -0.223 3.947 4.170 0.000 0.000 0.261 286 I C 2.248 178.293 176.117 -0.119 0.000 1.198 286 I CA 0.850 62.110 61.300 -0.067 0.000 1.482 286 I CB 0.279 38.276 38.000 -0.005 0.000 1.100 286 I HN 0.183 nan 8.210 nan 0.000 0.445 287 L N -0.219 120.992 121.223 -0.020 0.000 2.049 287 L HA -0.154 4.186 4.340 0.000 0.000 0.203 287 L C 2.718 179.600 176.870 0.021 0.000 1.074 287 L CA 1.387 56.220 54.840 -0.012 0.000 0.749 287 L CB -0.488 41.555 42.059 -0.027 0.000 0.907 287 L HN 0.279 nan 8.230 nan 0.000 0.439 288 S N -0.923 114.833 115.700 0.094 0.000 2.400 288 S HA -0.306 4.164 4.470 0.000 0.000 0.234 288 S C 2.253 176.980 174.600 0.212 0.000 1.049 288 S CA 2.186 60.511 58.200 0.208 0.000 1.039 288 S CB -0.307 63.032 63.200 0.231 0.000 0.856 288 S HN 0.509 nan 8.310 nan 0.000 0.465 289 S N -0.311 115.481 115.700 0.153 0.000 2.345 289 S HA -0.088 4.382 4.470 0.000 0.000 0.219 289 S C 1.995 176.688 174.600 0.154 0.000 1.031 289 S CA 1.965 60.256 58.200 0.151 0.000 0.984 289 S CB -1.242 62.006 63.200 0.080 0.000 0.874 289 S HN 0.722 nan 8.310 nan 0.000 0.451 290 T N 3.053 117.684 114.554 0.128 0.000 2.653 290 T HA -0.141 4.209 4.350 0.000 0.000 0.268 290 T C 1.710 176.467 174.700 0.094 0.000 1.035 290 T CA 1.692 63.876 62.100 0.140 0.000 1.154 290 T CB -0.683 68.249 68.868 0.106 0.000 0.862 290 T HN 0.365 nan 8.240 nan 0.000 0.441 291 L N 0.410 121.676 121.223 0.071 0.000 1.989 291 L HA -0.186 4.154 4.340 0.000 0.000 0.211 291 L C 2.724 179.665 176.870 0.119 0.000 1.071 291 L CA 1.629 56.505 54.840 0.060 0.000 0.749 291 L CB -0.788 41.286 42.059 0.024 0.000 0.890 291 L HN 0.304 nan 8.230 nan 0.000 0.431 292 T N -0.450 114.206 114.554 0.169 0.000 2.699 292 T HA -0.196 4.154 4.350 0.000 0.000 0.268 292 T C 1.623 176.456 174.700 0.221 0.000 1.036 292 T CA 1.305 63.539 62.100 0.223 0.000 1.147 292 T CB -0.802 68.231 68.868 0.276 0.000 0.862 292 T HN 0.665 nan 8.240 nan 0.000 0.446 293 G N 0.642 109.562 108.800 0.200 0.000 2.491 293 G HA2 -0.294 3.666 3.960 0.000 0.000 0.218 293 G HA3 -0.294 3.666 3.960 0.000 0.000 0.218 293 G C 1.924 176.953 174.900 0.216 0.000 1.180 293 G CA 1.247 46.467 45.100 0.200 0.000 0.774 293 G HN 0.578 nan 8.290 nan 0.000 0.562 294 C N -0.099 119.319 119.300 0.195 0.000 2.401 294 C HA -0.057 4.403 4.460 0.000 0.000 0.276 294 C C 2.711 177.967 174.990 0.444 0.000 1.233 294 C CA 0.733 59.924 59.018 0.289 0.000 1.753 294 C CB -1.182 26.718 27.740 0.266 0.000 2.029 294 C HN 0.452 nan 8.230 nan 0.000 0.478 295 L N 1.139 122.554 121.223 0.320 0.000 2.043 295 L HA -0.176 4.164 4.340 0.000 0.000 0.212 295 L C 2.439 179.551 176.870 0.403 0.000 1.075 295 L CA 1.939 56.991 54.840 0.354 0.000 0.752 295 L CB -1.084 41.093 42.059 0.198 0.000 0.891 295 L HN 0.448 nan 8.230 nan 0.000 0.432 296 C N -0.612 118.847 119.300 0.265 0.000 2.422 296 C HA -0.109 4.351 4.460 0.000 0.000 0.279 296 C C 3.092 178.222 174.990 0.232 0.000 1.305 296 C CA 0.934 60.044 59.018 0.153 0.000 1.757 296 C CB -1.532 26.283 27.740 0.127 0.000 1.962 296 C HN 0.810 nan 8.230 nan 0.000 0.499 297 S N 0.624 116.536 115.700 0.353 0.000 2.465 297 S HA -0.029 4.441 4.470 0.000 0.000 0.241 297 S C 1.566 176.220 174.600 0.091 0.000 1.000 297 S CA 1.767 60.185 58.200 0.363 0.000 0.964 297 S CB -0.388 62.942 63.200 0.218 0.000 0.763 297 S HN 0.677 nan 8.310 nan 0.000 0.512 298 G N -0.541 108.213 108.800 -0.078 0.000 2.649 298 G HA2 0.362 4.322 3.960 0.000 0.000 0.199 298 G HA3 0.362 4.322 3.960 0.000 0.000 0.199 298 G C 0.130 174.914 174.900 -0.194 0.000 1.085 298 G CA 0.270 45.056 45.100 -0.523 0.000 0.804 298 G HN 0.507 nan 8.290 nan 0.000 0.671 299 S N -0.249 115.485 115.700 0.056 0.000 2.568 299 S HA 0.566 5.036 4.470 0.000 0.000 0.302 299 S C -0.939 173.616 174.600 -0.075 0.000 1.082 299 S CA -0.481 57.769 58.200 0.084 0.000 1.009 299 S CB 1.869 65.218 63.200 0.249 0.000 1.069 299 S HN 0.124 nan 8.310 nan 0.000 0.500 300 Q N 4.036 123.759 119.800 -0.129 0.000 2.390 300 Q HA 0.479 4.819 4.340 0.000 0.000 0.249 300 Q C -0.860 175.026 176.000 -0.190 0.000 0.996 300 Q CA -0.186 55.479 55.803 -0.231 0.000 0.899 300 Q CB 0.196 28.779 28.738 -0.258 0.000 1.216 300 Q HN 0.674 nan 8.270 nan 0.000 0.465 301 L N 4.549 125.620 121.223 -0.255 0.000 2.479 301 L HA 0.506 4.846 4.340 0.000 0.000 0.248 301 L C -1.721 175.059 176.870 -0.150 0.000 1.205 301 L CA -2.252 52.429 54.840 -0.265 0.000 0.817 301 L CB 0.075 41.875 42.059 -0.432 0.000 1.162 301 L HN 0.563 nan 8.230 nan 0.000 0.486 302 P HA 0.154 nan 4.420 nan 0.000 0.271 302 P C -0.623 176.745 177.300 0.114 0.000 1.218 302 P CA -0.280 62.839 63.100 0.031 0.000 0.780 302 P CB 0.483 32.222 31.700 0.065 0.000 0.901 303 L N 2.435 123.694 121.223 0.060 0.000 2.467 303 L HA 0.182 4.522 4.340 0.000 0.000 0.270 303 L C 0.710 177.658 176.870 0.130 0.000 1.205 303 L CA -0.072 54.800 54.840 0.053 0.000 0.828 303 L CB -0.054 42.018 42.059 0.023 0.000 1.101 303 L HN 0.245 nan 8.230 nan 0.000 0.479 304 I N 1.280 121.882 120.570 0.053 0.000 2.342 304 I HA 0.043 4.213 4.170 0.000 0.000 0.291 304 I C 0.196 176.333 176.117 0.032 0.000 1.010 304 I CA -0.446 60.869 61.300 0.025 0.000 1.308 304 I CB 1.248 39.149 38.000 -0.165 0.000 1.400 304 I HN 0.596 nan 8.210 nan 0.000 0.488 305 D N 5.981 126.410 120.400 0.049 0.000 2.520 305 D HA -0.093 4.547 4.640 0.000 0.000 0.243 305 D C 1.308 177.612 176.300 0.007 0.000 1.160 305 D CA 0.295 54.312 54.000 0.028 0.000 0.877 305 D CB 0.645 41.459 40.800 0.024 0.000 1.150 305 D HN 0.376 nan 8.370 nan 0.000 0.494 306 N N 3.705 122.411 118.700 0.010 0.000 2.049 306 N HA -0.240 4.500 4.740 0.000 0.000 0.198 306 N C 0.973 176.481 175.510 -0.003 0.000 1.030 306 N CA 1.061 54.113 53.050 0.003 0.000 0.870 306 N CB -0.315 38.175 38.487 0.006 0.000 1.045 306 N HN 0.565 nan 8.380 nan 0.000 0.434 307 N N 0.571 119.269 118.700 -0.003 0.000 2.586 307 N HA -0.056 4.684 4.740 0.000 0.000 0.191 307 N C 0.943 176.442 175.510 -0.017 0.000 1.085 307 N CA 0.525 53.572 53.050 -0.007 0.000 0.921 307 N CB -0.100 38.384 38.487 -0.005 0.000 0.954 307 N HN 0.190 nan 8.380 nan 0.000 0.448 308 S N -0.269 115.414 115.700 -0.028 0.000 2.517 308 S HA 0.075 4.545 4.470 0.000 0.000 0.214 308 S C 0.837 175.411 174.600 -0.044 0.000 0.991 308 S CA -0.344 57.825 58.200 -0.051 0.000 0.906 308 S CB 0.575 63.731 63.200 -0.073 0.000 0.789 308 S HN 0.242 nan 8.310 nan 0.000 0.513 309 V N -0.902 118.997 119.914 -0.024 0.000 2.960 309 V HA 0.684 4.804 4.120 0.000 0.000 0.315 309 V C -3.232 172.866 176.094 0.006 0.000 1.087 309 V CA -3.020 59.274 62.300 -0.010 0.000 0.982 309 V CB 1.111 32.919 31.823 -0.024 0.000 1.039 309 V HN -0.194 nan 8.190 nan 0.000 0.437 310 P HA 0.228 nan 4.420 nan 0.000 0.269 310 P C 0.874 178.175 177.300 0.001 0.000 1.217 310 P CA 0.815 63.926 63.100 0.019 0.000 0.783 310 P CB 0.571 32.285 31.700 0.023 0.000 0.898 311 A N 2.435 125.256 122.820 0.001 0.000 1.859 311 A HA -0.260 4.060 4.320 0.000 0.000 0.218 311 A C 2.142 179.715 177.584 -0.018 0.000 1.242 311 A CA 3.345 55.378 52.037 -0.006 0.000 0.661 311 A CB -2.238 16.760 19.000 -0.005 0.000 0.842 311 A HN 0.545 nan 8.150 nan 0.000 0.455 312 V N -1.247 118.652 119.914 -0.025 0.000 2.409 312 V HA -0.258 3.862 4.120 0.000 0.000 0.261 312 V C 1.533 177.596 176.094 -0.053 0.000 1.099 312 V CA 2.752 65.026 62.300 -0.043 0.000 1.100 312 V CB -1.574 30.218 31.823 -0.051 0.000 0.677 312 V HN 1.052 nan 8.190 nan 0.000 0.460 313 S N 0.146 115.820 115.700 -0.044 0.000 2.489 313 S HA 0.511 4.981 4.470 0.000 0.000 0.237 313 S C 0.204 174.788 174.600 -0.027 0.000 1.220 313 S CA -0.762 57.408 58.200 -0.050 0.000 1.231 313 S CB -0.209 62.953 63.200 -0.063 0.000 0.900 313 S HN 0.713 nan 8.310 nan 0.000 0.492 314 R N 1.633 122.121 120.500 -0.019 0.000 2.664 314 R HA 0.462 4.802 4.340 0.000 0.000 0.286 314 R C -0.382 175.920 176.300 0.003 0.000 0.967 314 R CA -0.790 55.308 56.100 -0.004 0.000 0.933 314 R CB 0.557 30.854 30.300 -0.005 0.000 1.146 314 R HN 0.291 nan 8.270 nan 0.000 0.468 315 N N 1.598 120.310 118.700 0.020 0.000 2.746 315 N HA -0.170 4.570 4.740 0.000 0.000 0.250 315 N C -0.863 174.674 175.510 0.045 0.000 1.055 315 N CA 0.781 53.848 53.050 0.028 0.000 0.699 315 N CB -0.858 37.633 38.487 0.007 0.000 0.919 315 N HN 0.547 nan 8.380 nan 0.000 0.548 316 I N 0.802 121.422 120.570 0.083 0.000 2.361 316 I HA 0.055 4.225 4.170 0.000 0.000 0.282 316 I C 2.025 178.268 176.117 0.210 0.000 1.075 316 I CA -0.587 60.790 61.300 0.128 0.000 1.205 316 I CB 0.403 38.479 38.000 0.126 0.000 1.406 316 I HN 0.316 nan 8.210 nan 0.000 0.481 317 H N 5.034 124.132 119.070 0.045 0.000 2.278 317 H HA -0.327 4.229 4.556 0.000 0.000 0.267 317 H C 1.912 177.220 175.328 -0.034 0.000 1.157 317 H CA 2.077 58.129 56.048 0.006 0.000 1.192 317 H CB 0.314 30.071 29.762 -0.008 0.000 1.443 317 H HN 0.764 nan 8.280 nan 0.000 0.516 318 G N -2.518 106.237 108.800 -0.075 0.000 2.777 318 G HA2 -0.036 3.924 3.960 0.000 0.000 0.211 318 G HA3 -0.036 3.924 3.960 0.000 0.000 0.211 318 G C 0.563 175.111 174.900 -0.586 0.000 1.149 318 G CA 0.320 45.167 45.100 -0.421 0.000 0.785 318 G HN 0.456 nan 8.290 nan 0.000 0.536 319 W N 0.663 121.922 121.300 -0.068 0.000 3.539 319 W HA 0.261 4.921 4.660 0.000 0.000 0.233 319 W C 1.250 177.719 176.519 -0.084 0.000 0.900 319 W CA 0.940 58.236 57.345 -0.082 0.000 2.360 319 W CB -0.484 28.927 29.460 -0.082 0.000 1.171 319 W HN 0.001 nan 8.180 nan 0.000 0.627 320 T N -0.194 114.478 114.554 0.196 0.000 2.875 320 T HA 0.782 5.132 4.350 0.000 0.000 0.284 320 T C -0.013 174.726 174.700 0.065 0.000 0.995 320 T CA -0.062 62.089 62.100 0.085 0.000 1.060 320 T CB 1.792 70.694 68.868 0.056 0.000 0.967 320 T HN 0.221 nan 8.240 nan 0.000 0.476 321 G N 1.172 109.998 108.800 0.043 0.000 2.870 321 G HA2 0.499 4.459 3.960 0.000 0.000 0.299 321 G HA3 0.499 4.459 3.960 0.000 0.000 0.299 321 G C 0.168 175.085 174.900 0.028 0.000 1.324 321 G CA -0.886 44.236 45.100 0.038 0.000 0.808 321 G HN 0.698 nan 8.290 nan 0.000 0.535 322 R N -0.072 120.443 120.500 0.024 0.000 2.234 322 R HA 0.293 4.633 4.340 0.000 0.000 0.209 322 R C 1.144 177.456 176.300 0.020 0.000 1.077 322 R CA 1.813 57.924 56.100 0.018 0.000 0.866 322 R CB -1.051 29.257 30.300 0.014 0.000 0.764 322 R HN 0.817 nan 8.270 nan 0.000 0.459 323 A N -0.303 122.529 122.820 0.021 0.000 2.258 323 A HA 0.664 4.984 4.320 0.000 0.000 0.316 323 A C -0.099 177.505 177.584 0.033 0.000 1.279 323 A CA 0.025 52.076 52.037 0.024 0.000 0.876 323 A CB 0.879 19.892 19.000 0.020 0.000 1.170 323 A HN 0.663 nan 8.150 nan 0.000 0.520 324 G N 1.145 109.972 108.800 0.045 0.000 2.911 324 G HA2 0.414 4.374 3.960 0.000 0.000 0.299 324 G HA3 0.414 4.374 3.960 0.000 0.000 0.299 324 G C -0.810 174.142 174.900 0.087 0.000 1.283 324 G CA -0.895 44.245 45.100 0.067 0.000 0.805 324 G HN 0.721 nan 8.290 nan 0.000 0.548 325 N N 0.553 119.338 118.700 0.142 0.000 2.503 325 N HA 0.280 5.020 4.740 0.000 0.000 0.267 325 N C -0.100 175.513 175.510 0.170 0.000 1.214 325 N CA -0.033 53.118 53.050 0.167 0.000 0.959 325 N CB 0.838 39.451 38.487 0.210 0.000 1.142 325 N HN 0.663 nan 8.380 nan 0.000 0.455 326 Q N 0.799 120.659 119.800 0.099 0.000 2.204 326 Q HA 0.494 4.834 4.340 0.000 0.000 0.254 326 Q C -0.899 175.064 176.000 -0.061 0.000 0.981 326 Q CA -0.798 54.994 55.803 -0.019 0.000 0.897 326 Q CB 1.179 29.838 28.738 -0.132 0.000 1.273 326 Q HN 0.431 nan 8.270 nan 0.000 0.464 327 L N 1.537 122.682 121.223 -0.130 0.000 2.371 327 L HA 0.334 4.674 4.340 0.000 0.000 0.272 327 L C -0.626 176.064 176.870 -0.298 0.000 1.124 327 L CA -0.539 54.238 54.840 -0.105 0.000 0.816 327 L CB 0.568 42.557 42.059 -0.115 0.000 1.129 327 L HN 0.705 nan 8.230 nan 0.000 0.448 328 H N 1.118 120.200 119.070 0.021 0.000 2.708 328 H HA 0.410 4.966 4.556 0.000 0.000 0.320 328 H C 0.328 175.693 175.328 0.062 0.000 0.991 328 H CA -0.316 55.745 56.048 0.020 0.000 1.243 328 H CB 1.553 31.321 29.762 0.009 0.000 1.446 328 H HN 0.711 nan 8.280 nan 0.000 0.502 329 G N 2.031 110.897 108.800 0.110 0.000 2.522 329 G HA2 0.546 4.506 3.960 0.000 0.000 0.304 329 G HA3 0.546 4.506 3.960 0.000 0.000 0.304 329 G C -1.042 174.063 174.900 0.341 0.000 1.210 329 G CA -0.551 44.611 45.100 0.104 0.000 0.960 329 G HN 0.569 nan 8.290 nan 0.000 0.497 330 F N -2.257 117.739 119.950 0.076 0.000 2.725 330 F HA 0.490 5.017 4.527 0.000 0.000 0.311 330 F C -1.030 174.871 175.800 0.169 0.000 1.121 330 F CA -1.326 56.755 58.000 0.135 0.000 0.978 330 F CB 1.309 40.416 39.000 0.177 0.000 1.274 330 F HN 0.634 nan 8.300 nan 0.000 0.440 331 Q N 2.277 122.202 119.800 0.209 0.000 2.259 331 Q HA 0.490 4.830 4.340 0.000 0.000 0.249 331 Q C -0.006 176.153 176.000 0.265 0.000 0.914 331 Q CA -0.644 55.241 55.803 0.138 0.000 0.904 331 Q CB 2.111 30.968 28.738 0.198 0.000 1.213 331 Q HN 0.810 nan 8.270 nan 0.000 0.428 332 V N 3.815 123.845 119.914 0.193 0.000 2.270 332 V HA -0.241 3.879 4.120 0.000 0.000 0.245 332 V C 2.361 178.640 176.094 0.308 0.000 1.043 332 V CA 1.688 64.194 62.300 0.344 0.000 1.014 332 V CB -0.768 31.226 31.823 0.285 0.000 0.645 332 V HN 0.803 nan 8.190 nan 0.000 0.447 333 R N 0.616 121.260 120.500 0.241 0.000 2.094 333 R HA -0.215 4.125 4.340 0.000 0.000 0.239 333 R C 2.407 178.811 176.300 0.174 0.000 1.137 333 R CA 2.255 58.468 56.100 0.189 0.000 0.943 333 R CB -0.869 29.533 30.300 0.169 0.000 0.850 333 R HN 0.410 nan 8.270 nan 0.000 0.433 334 R N 0.474 121.089 120.500 0.192 0.000 2.096 334 R HA -0.142 4.198 4.340 0.000 0.000 0.240 334 R C 2.260 178.661 176.300 0.168 0.000 1.139 334 R CA 2.209 58.412 56.100 0.171 0.000 0.952 334 R CB -0.927 29.482 30.300 0.183 0.000 0.854 334 R HN 0.229 nan 8.270 nan 0.000 0.436 335 M N -0.250 119.484 119.600 0.223 0.000 2.144 335 M HA -0.145 4.335 4.480 0.000 0.000 0.260 335 M C 1.820 178.166 176.300 0.076 0.000 1.067 335 M CA 1.551 56.944 55.300 0.154 0.000 1.095 335 M CB -0.349 32.373 32.600 0.204 0.000 1.365 335 M HN 0.083 nan 8.290 nan 0.000 0.406 336 V N -0.353 119.606 119.914 0.076 0.000 2.317 336 V HA -0.372 3.748 4.120 0.000 0.000 0.251 336 V C 2.198 178.378 176.094 0.144 0.000 1.065 336 V CA 2.430 64.762 62.300 0.054 0.000 1.049 336 V CB -1.640 30.218 31.823 0.059 0.000 0.651 336 V HN 0.576 nan 8.190 nan 0.000 0.450 337 T N -0.854 113.773 114.554 0.121 0.000 2.737 337 T HA -0.147 4.203 4.350 0.000 0.000 0.265 337 T C 1.879 176.642 174.700 0.105 0.000 1.038 337 T CA 1.301 63.467 62.100 0.110 0.000 1.144 337 T CB -0.291 68.628 68.868 0.084 0.000 0.866 337 T HN 0.460 nan 8.240 nan 0.000 0.434 338 E N 0.837 121.095 120.200 0.098 0.000 2.086 338 E HA -0.165 4.185 4.350 0.000 0.000 0.200 338 E C 1.841 178.484 176.600 0.071 0.000 1.012 338 E CA 1.117 57.559 56.400 0.070 0.000 0.812 338 E CB -0.580 29.160 29.700 0.066 0.000 0.743 338 E HN 0.549 nan 8.360 nan 0.000 0.453 339 F N 1.361 121.284 119.950 -0.045 0.000 2.025 339 F HA -0.305 4.222 4.527 0.000 0.000 0.297 339 F C 2.595 178.384 175.800 -0.018 0.000 1.132 339 F CA 1.848 59.819 58.000 -0.048 0.000 1.191 339 F CB -0.728 38.221 39.000 -0.085 0.000 0.963 339 F HN 0.019 nan 8.300 nan 0.000 0.481 340 C N 1.045 120.417 119.300 0.121 0.000 2.388 340 C HA -0.254 4.206 4.460 0.000 0.000 0.277 340 C C 2.541 177.467 174.990 -0.107 0.000 1.210 340 C CA 1.464 60.475 59.018 -0.012 0.000 1.743 340 C CB -1.307 26.500 27.740 0.113 0.000 2.047 340 C HN 0.578 nan 8.230 nan 0.000 0.458 341 D N 0.135 120.510 120.400 -0.041 0.000 2.192 341 D HA -0.178 4.462 4.640 0.000 0.000 0.189 341 D C 2.238 178.484 176.300 -0.090 0.000 1.007 341 D CA 1.519 55.491 54.000 -0.047 0.000 0.859 341 D CB -0.503 40.288 40.800 -0.014 0.000 0.936 341 D HN 0.547 nan 8.370 nan 0.000 0.447 342 R N -0.085 120.344 120.500 -0.117 0.000 2.082 342 R HA -0.109 4.231 4.340 0.000 0.000 0.234 342 R C 2.458 178.642 176.300 -0.194 0.000 1.136 342 R CA 0.701 56.727 56.100 -0.123 0.000 0.935 342 R CB -0.481 29.755 30.300 -0.107 0.000 0.842 342 R HN 0.194 nan 8.270 nan 0.000 0.430 343 L N 0.841 121.863 121.223 -0.336 0.000 2.013 343 L HA -0.240 4.100 4.340 0.000 0.000 0.212 343 L C 2.612 179.314 176.870 -0.280 0.000 1.073 343 L CA 1.850 56.436 54.840 -0.423 0.000 0.753 343 L CB -0.977 40.782 42.059 -0.500 0.000 0.890 343 L HN 0.291 nan 8.230 nan 0.000 0.432 344 R N -0.221 120.166 120.500 -0.188 0.000 2.080 344 R HA -0.196 4.144 4.340 0.000 0.000 0.236 344 R C 2.530 178.769 176.300 -0.101 0.000 1.137 344 R CA 1.481 57.509 56.100 -0.119 0.000 0.943 344 R CB -0.290 29.964 30.300 -0.077 0.000 0.846 344 R HN 0.159 nan 8.270 nan 0.000 0.431 345 R N 0.719 121.165 120.500 -0.089 0.000 2.105 345 R HA -0.161 4.179 4.340 0.000 0.000 0.239 345 R C 0.581 176.844 176.300 -0.061 0.000 1.135 345 R CA 2.310 58.373 56.100 -0.061 0.000 0.967 345 R CB -0.422 29.850 30.300 -0.046 0.000 0.861 345 R HN 0.296 nan 8.270 nan 0.000 0.442 346 D N -1.094 119.252 120.400 -0.091 0.000 2.349 346 D HA 0.109 4.749 4.640 0.000 0.000 0.224 346 D C 0.580 176.827 176.300 -0.088 0.000 1.029 346 D CA 1.048 55.008 54.000 -0.067 0.000 0.879 346 D CB 0.267 41.038 40.800 -0.047 0.000 0.906 346 D HN 0.552 nan 8.370 nan 0.000 0.528 347 G N -0.015 108.720 108.800 -0.108 0.000 2.248 347 G HA2 -0.248 3.712 3.960 0.000 0.000 0.263 347 G HA3 -0.248 3.712 3.960 0.000 0.000 0.263 347 G C 0.763 175.592 174.900 -0.118 0.000 1.082 347 G CA 0.320 45.366 45.100 -0.090 0.000 0.863 347 G HN 0.296 nan 8.290 nan 0.000 0.495 348 V N -0.920 118.885 119.914 -0.182 0.000 3.572 348 V HA 0.499 4.619 4.120 0.000 0.000 0.260 348 V C 0.989 177.003 176.094 -0.133 0.000 1.324 348 V CA 1.530 63.717 62.300 -0.188 0.000 1.068 348 V CB 0.545 32.169 31.823 -0.332 0.000 0.837 348 V HN 0.556 nan 8.190 nan 0.000 0.450 349 M N 1.379 120.901 119.600 -0.131 0.000 2.395 349 M HA 0.505 4.985 4.480 0.000 0.000 0.307 349 M C 0.033 176.296 176.300 -0.061 0.000 1.091 349 M CA -0.301 54.950 55.300 -0.083 0.000 0.919 349 M CB 2.270 34.817 32.600 -0.088 0.000 1.662 349 M HN 0.299 nan 8.290 nan 0.000 0.440 350 T N 0.431 114.962 114.554 -0.039 0.000 2.913 350 T HA 0.193 4.543 4.350 0.000 0.000 0.287 350 T C 0.649 175.336 174.700 -0.022 0.000 1.008 350 T CA -0.403 61.679 62.100 -0.029 0.000 1.067 350 T CB 1.493 70.348 68.868 -0.021 0.000 0.996 350 T HN 0.819 nan 8.240 nan 0.000 0.513 351 Q N 2.235 122.023 119.800 -0.019 0.000 2.112 351 Q HA -0.085 4.255 4.340 0.000 0.000 0.206 351 Q C 2.332 178.328 176.000 -0.006 0.000 0.987 351 Q CA 2.591 58.387 55.803 -0.012 0.000 0.858 351 Q CB -1.134 27.598 28.738 -0.010 0.000 0.905 351 Q HN 0.954 nan 8.270 nan 0.000 0.420 352 A N 0.245 123.061 122.820 -0.007 0.000 1.873 352 A HA -0.315 4.005 4.320 0.000 0.000 0.218 352 A C 2.061 179.645 177.584 -0.001 0.000 1.193 352 A CA 1.964 53.998 52.037 -0.004 0.000 0.629 352 A CB -0.811 18.186 19.000 -0.006 0.000 0.826 352 A HN 0.632 nan 8.150 nan 0.000 0.447 353 Q N -1.079 118.719 119.800 -0.002 0.000 2.061 353 Q HA -0.297 4.043 4.340 0.000 0.000 0.204 353 Q C 2.375 178.383 176.000 0.014 0.000 0.984 353 Q CA 1.871 57.676 55.803 0.003 0.000 0.846 353 Q CB -0.265 28.473 28.738 0.001 0.000 0.902 353 Q HN 0.875 nan 8.270 nan 0.000 0.421 354 Q N 0.769 120.577 119.800 0.014 0.000 2.061 354 Q HA -0.221 4.119 4.340 0.000 0.000 0.204 354 Q C 1.724 177.740 176.000 0.026 0.000 0.984 354 Q CA 1.572 57.391 55.803 0.027 0.000 0.846 354 Q CB 0.002 28.750 28.738 0.017 0.000 0.902 354 Q HN 0.367 nan 8.270 nan 0.000 0.421 355 N N 0.264 118.974 118.700 0.016 0.000 2.137 355 N HA -0.207 4.533 4.740 0.000 0.000 0.190 355 N C 1.758 177.276 175.510 0.014 0.000 1.017 355 N CA 1.627 54.685 53.050 0.014 0.000 0.859 355 N CB -0.247 38.245 38.487 0.008 0.000 1.002 355 N HN 0.453 nan 8.380 nan 0.000 0.428 356 Q N 0.476 120.283 119.800 0.011 0.000 2.016 356 Q HA -0.005 4.335 4.340 0.000 0.000 0.200 356 Q C 2.298 178.304 176.000 0.011 0.000 0.978 356 Q CA 0.905 56.712 55.803 0.007 0.000 0.833 356 Q CB -0.091 28.648 28.738 0.002 0.000 0.895 356 Q HN 0.384 nan 8.270 nan 0.000 0.427 357 I N 1.011 121.592 120.570 0.019 0.000 2.127 357 I HA -0.308 3.862 4.170 0.000 0.000 0.241 357 I C 2.230 178.365 176.117 0.029 0.000 1.075 357 I CA 1.343 62.657 61.300 0.024 0.000 1.334 357 I CB -0.408 37.621 38.000 0.047 0.000 1.040 357 I HN 0.260 nan 8.210 nan 0.000 0.405 358 E N 1.047 121.269 120.200 0.037 0.000 2.038 358 E HA -0.273 4.077 4.350 0.000 0.000 0.195 358 E C 2.366 178.985 176.600 0.030 0.000 1.000 358 E CA 1.513 57.938 56.400 0.040 0.000 0.803 358 E CB -0.303 29.421 29.700 0.040 0.000 0.750 358 E HN 0.548 nan 8.360 nan 0.000 0.448 359 A N 1.787 124.620 122.820 0.021 0.000 1.917 359 A HA -0.210 4.110 4.320 0.000 0.000 0.219 359 A C 2.210 179.800 177.584 0.011 0.000 1.182 359 A CA 1.272 53.316 52.037 0.013 0.000 0.633 359 A CB -0.751 18.253 19.000 0.006 0.000 0.819 359 A HN 0.260 nan 8.150 nan 0.000 0.448 360 L N -0.882 120.347 121.223 0.010 0.000 1.988 360 L HA -0.141 4.199 4.340 0.000 0.000 0.207 360 L C 2.943 179.826 176.870 0.023 0.000 1.071 360 L CA 1.517 56.361 54.840 0.007 0.000 0.744 360 L CB -0.577 41.482 42.059 0.001 0.000 0.893 360 L HN 0.419 nan 8.230 nan 0.000 0.433 361 A N -0.220 122.620 122.820 0.032 0.000 1.958 361 A HA -0.309 4.011 4.320 0.000 0.000 0.221 361 A C 1.857 179.475 177.584 0.057 0.000 1.178 361 A CA 2.280 54.348 52.037 0.052 0.000 0.642 361 A CB -0.768 18.267 19.000 0.058 0.000 0.816 361 A HN 0.571 nan 8.150 nan 0.000 0.453 362 D N -1.097 119.328 120.400 0.042 0.000 2.077 362 D HA -0.178 4.462 4.640 0.000 0.000 0.196 362 D C 2.095 178.412 176.300 0.028 0.000 0.986 362 D CA 1.630 55.650 54.000 0.033 0.000 0.829 362 D CB -0.523 40.289 40.800 0.021 0.000 0.983 362 D HN 0.712 nan 8.370 nan 0.000 0.453 363 Q N 0.269 120.082 119.800 0.021 0.000 2.112 363 Q HA -0.172 4.168 4.340 0.000 0.000 0.206 363 Q C 1.923 177.956 176.000 0.054 0.000 0.987 363 Q CA 2.002 57.815 55.803 0.016 0.000 0.858 363 Q CB -0.030 28.704 28.738 -0.007 0.000 0.905 363 Q HN 0.149 nan 8.270 nan 0.000 0.420 364 T N 0.571 115.168 114.554 0.071 0.000 2.643 364 T HA -0.234 4.116 4.350 0.000 0.000 0.264 364 T C 1.648 176.431 174.700 0.139 0.000 1.045 364 T CA 1.480 63.659 62.100 0.132 0.000 1.155 364 T CB -0.356 68.582 68.868 0.116 0.000 0.863 364 T HN 0.410 nan 8.240 nan 0.000 0.420 365 Q N 0.270 120.126 119.800 0.093 0.000 2.082 365 Q HA -0.313 4.027 4.340 0.000 0.000 0.211 365 Q C 2.476 178.460 176.000 -0.028 0.000 1.002 365 Q CA 2.204 58.043 55.803 0.061 0.000 0.868 365 Q CB -0.199 28.573 28.738 0.056 0.000 0.931 365 Q HN 0.362 nan 8.270 nan 0.000 0.414 366 Q N -0.090 119.693 119.800 -0.028 0.000 2.014 366 Q HA -0.218 4.122 4.340 0.000 0.000 0.207 366 Q C 1.708 177.694 176.000 -0.025 0.000 0.993 366 Q CA 2.205 57.966 55.803 -0.070 0.000 0.850 366 Q CB -0.864 27.857 28.738 -0.028 0.000 0.916 366 Q HN 0.474 nan 8.270 nan 0.000 0.417 367 F N 1.066 120.958 119.950 -0.096 0.000 2.027 367 F HA -0.268 4.259 4.527 0.000 0.000 0.297 367 F C 1.834 177.572 175.800 -0.103 0.000 1.129 367 F CA 2.255 60.200 58.000 -0.091 0.000 1.195 367 F CB -0.520 38.447 39.000 -0.055 0.000 0.960 367 F HN 0.092 nan 8.300 nan 0.000 0.485 368 K N -0.343 119.943 120.400 -0.190 0.000 2.152 368 K HA -0.244 4.076 4.320 0.000 0.000 0.206 368 K C 2.356 178.824 176.600 -0.221 0.000 1.048 368 K CA 1.678 57.803 56.287 -0.269 0.000 0.933 368 K CB -0.269 32.215 32.500 -0.027 0.000 0.721 368 K HN 0.309 nan 8.250 nan 0.000 0.447 369 R N 1.149 121.518 120.500 -0.218 0.000 2.055 369 R HA -0.130 4.210 4.340 0.000 0.000 0.228 369 R C 1.634 177.780 176.300 -0.257 0.000 1.143 369 R CA 1.757 57.676 56.100 -0.300 0.000 0.945 369 R CB -0.107 29.726 30.300 -0.780 0.000 0.841 369 R HN 0.083 nan 8.270 nan 0.000 0.429 370 D N 0.720 120.954 120.400 -0.277 0.000 2.170 370 D HA -0.225 4.415 4.640 0.000 0.000 0.193 370 D C 1.719 177.808 176.300 -0.352 0.000 1.004 370 D CA 1.351 55.202 54.000 -0.248 0.000 0.860 370 D CB -0.007 40.679 40.800 -0.190 0.000 0.931 370 D HN 0.220 nan 8.370 nan 0.000 0.448 371 K N 0.565 120.638 120.400 -0.545 0.000 1.965 371 K HA -0.074 4.246 4.320 0.000 0.000 0.214 371 K C 2.586 178.707 176.600 -0.799 0.000 1.046 371 K CA 0.381 56.092 56.287 -0.961 0.000 0.944 371 K CB -1.049 30.730 32.500 -1.202 0.000 0.726 371 K HN 0.227 nan 8.250 nan 0.000 0.441 372 L N 1.113 122.126 121.223 -0.349 0.000 2.034 372 L HA -0.269 4.071 4.340 0.000 0.000 0.217 372 L C 2.605 179.627 176.870 0.253 0.000 1.077 372 L CA 1.622 56.506 54.840 0.072 0.000 0.769 372 L CB -0.491 41.533 42.059 -0.057 0.000 0.890 372 L HN 0.346 nan 8.230 nan 0.000 0.435 373 E N -0.468 119.857 120.200 0.208 0.000 2.110 373 E HA -0.216 4.134 4.350 0.000 0.000 0.193 373 E C 2.196 178.865 176.600 0.115 0.000 0.988 373 E CA 1.131 57.703 56.400 0.288 0.000 0.804 373 E CB -0.019 29.780 29.700 0.166 0.000 0.745 373 E HN 0.504 nan 8.360 nan 0.000 0.458 374 A N 0.395 123.185 122.820 -0.051 0.000 1.872 374 A HA -0.138 4.182 4.320 0.000 0.000 0.214 374 A C 1.749 179.361 177.584 0.046 0.000 1.187 374 A CA 0.838 52.828 52.037 -0.078 0.000 0.614 374 A CB -0.804 18.056 19.000 -0.233 0.000 0.826 374 A HN 0.404 nan 8.150 nan 0.000 0.442 375 W N 0.051 121.382 121.300 0.050 0.000 2.350 375 W HA -0.117 4.543 4.660 0.000 0.000 0.289 375 W C 2.724 179.292 176.519 0.081 0.000 1.215 375 W CA 0.879 58.253 57.345 0.048 0.000 1.236 375 W CB -1.124 28.352 29.460 0.028 0.000 1.130 375 W HN 0.481 nan 8.180 nan 0.000 0.541 376 A N 0.705 123.727 122.820 0.336 0.000 1.865 376 A HA -0.240 4.080 4.320 0.000 0.000 0.217 376 A C 2.193 179.878 177.584 0.168 0.000 1.191 376 A CA 2.060 54.233 52.037 0.227 0.000 0.623 376 A CB -0.906 18.177 19.000 0.138 0.000 0.826 376 A HN 0.239 nan 8.150 nan 0.000 0.444 377 R N -0.454 120.125 120.500 0.131 0.000 2.080 377 R HA -0.154 4.186 4.340 0.000 0.000 0.236 377 R C 2.152 178.530 176.300 0.129 0.000 1.137 377 R CA 1.566 57.727 56.100 0.102 0.000 0.943 377 R CB -0.522 29.819 30.300 0.069 0.000 0.846 377 R HN 0.694 nan 8.270 nan 0.000 0.431 378 E N 0.572 120.864 120.200 0.153 0.000 2.136 378 E HA -0.250 4.100 4.350 0.000 0.000 0.202 378 E C 1.499 178.197 176.600 0.163 0.000 1.019 378 E CA 1.747 58.239 56.400 0.155 0.000 0.819 378 E CB -0.171 29.643 29.700 0.191 0.000 0.739 378 E HN 0.380 nan 8.360 nan 0.000 0.458 379 D N 0.705 121.218 120.400 0.189 0.000 2.077 379 D HA -0.123 4.517 4.640 0.000 0.000 0.196 379 D C 1.646 178.069 176.300 0.205 0.000 0.986 379 D CA 0.928 55.057 54.000 0.215 0.000 0.829 379 D CB -0.416 40.568 40.800 0.306 0.000 0.983 379 D HN 0.079 nan 8.370 nan 0.000 0.453 380 D N 0.519 121.028 120.400 0.182 0.000 2.158 380 D HA -0.165 4.475 4.640 0.000 0.000 0.197 380 D C 2.013 178.365 176.300 0.087 0.000 0.995 380 D CA 0.819 54.893 54.000 0.125 0.000 0.846 380 D CB -0.141 40.721 40.800 0.103 0.000 0.941 380 D HN 0.359 nan 8.370 nan 0.000 0.456 381 Q N -0.776 119.086 119.800 0.104 0.000 2.084 381 Q HA -0.199 4.141 4.340 0.000 0.000 0.202 381 Q C 2.055 178.110 176.000 0.091 0.000 0.978 381 Q CA 1.132 56.985 55.803 0.084 0.000 0.844 381 Q CB -0.143 28.651 28.738 0.092 0.000 0.898 381 Q HN 0.415 nan 8.270 nan 0.000 0.426 382 Y N 1.239 121.541 120.300 0.003 0.000 2.184 382 Y HA -0.146 4.404 4.550 0.000 0.000 0.290 382 Y C 1.584 177.459 175.900 -0.041 0.000 1.129 382 Y CA 1.711 59.801 58.100 -0.018 0.000 1.144 382 Y CB -0.326 38.123 38.460 -0.019 0.000 0.995 382 Y HN 0.107 nan 8.280 nan 0.000 0.513 383 N N -0.314 118.360 118.700 -0.042 0.000 2.192 383 N HA -0.244 4.496 4.740 0.000 0.000 0.188 383 N C 1.749 177.143 175.510 -0.193 0.000 1.013 383 N CA 1.449 54.396 53.050 -0.172 0.000 0.863 383 N CB -0.145 38.282 38.487 -0.101 0.000 0.990 383 N HN 0.573 nan 8.380 nan 0.000 0.430 384 Q N 0.211 119.937 119.800 -0.122 0.000 2.083 384 Q HA 0.004 4.344 4.340 0.000 0.000 0.198 384 Q C 2.295 178.209 176.000 -0.142 0.000 0.969 384 Q CA 1.032 56.773 55.803 -0.103 0.000 0.838 384 Q CB -0.023 28.683 28.738 -0.052 0.000 0.900 384 Q HN 0.393 nan 8.270 nan 0.000 0.436 385 A N 2.047 124.763 122.820 -0.173 0.000 1.883 385 A HA -0.138 4.182 4.320 0.000 0.000 0.217 385 A C 0.754 178.183 177.584 -0.259 0.000 1.186 385 A CA 1.200 53.126 52.037 -0.185 0.000 0.624 385 A CB -0.234 18.672 19.000 -0.156 0.000 0.822 385 A HN 0.411 nan 8.150 nan 0.000 0.444 386 N N 0.020 118.456 118.700 -0.440 0.000 2.746 386 N HA 0.208 4.948 4.740 0.000 0.000 0.250 386 N C -2.609 172.695 175.510 -0.344 0.000 1.146 386 N CA -1.271 51.537 53.050 -0.403 0.000 0.828 386 N CB 1.467 39.628 38.487 -0.542 0.000 1.158 386 N HN 0.242 nan 8.380 nan 0.000 0.519 387 P HA -0.068 nan 4.420 nan 0.000 0.234 387 P C 0.268 177.480 177.300 -0.146 0.000 1.167 387 P CA 0.846 63.844 63.100 -0.171 0.000 0.763 387 P CB 0.428 32.053 31.700 -0.125 0.000 0.835 388 N N -0.126 118.490 118.700 -0.141 0.000 2.353 388 N HA 0.018 4.758 4.740 0.000 0.000 0.185 388 N C 0.504 175.954 175.510 -0.101 0.000 1.098 388 N CA 0.590 53.575 53.050 -0.108 0.000 0.872 388 N CB 0.311 38.745 38.487 -0.089 0.000 0.970 388 N HN 0.228 nan 8.380 nan 0.000 0.467 389 S N -0.781 114.852 115.700 -0.112 0.000 2.825 389 S HA 0.077 4.547 4.470 0.000 0.000 0.242 389 S C 0.262 174.853 174.600 -0.016 0.000 0.980 389 S CA -0.791 57.376 58.200 -0.056 0.000 1.107 389 S CB -0.481 62.718 63.200 -0.002 0.000 1.172 389 S HN 0.121 nan 8.310 nan 0.000 0.483 390 T N 1.219 115.718 114.554 -0.092 0.000 2.906 390 T HA 0.531 4.881 4.350 0.000 0.000 0.320 390 T C 0.030 174.677 174.700 -0.089 0.000 1.088 390 T CA -0.064 61.971 62.100 -0.108 0.000 1.120 390 T CB 0.357 69.112 68.868 -0.189 0.000 1.000 390 T HN 0.860 nan 8.240 nan 0.000 0.550 391 M N -0.243 119.264 119.600 -0.154 0.000 3.782 391 M HA 0.770 5.250 4.480 0.000 0.000 0.341 391 M C -2.013 174.096 176.300 -0.319 0.000 1.544 391 M CA -1.500 53.709 55.300 -0.151 0.000 0.892 391 M CB 0.624 33.222 32.600 -0.004 0.000 2.101 391 M HN 0.581 nan 8.290 nan 0.000 0.498 392 F N -0.049 119.998 119.950 0.161 0.000 2.630 392 F HA 0.517 5.044 4.527 0.000 0.000 0.325 392 F C 0.562 176.478 175.800 0.192 0.000 1.184 392 F CA -0.804 57.310 58.000 0.190 0.000 1.011 392 F CB 2.345 41.519 39.000 0.290 0.000 1.268 392 F HN 0.643 nan 8.300 nan 0.000 0.480 393 R N 0.500 121.179 120.500 0.299 0.000 2.299 393 R HA 0.164 4.504 4.340 0.000 0.000 0.197 393 R C -0.429 175.972 176.300 0.169 0.000 0.971 393 R CA 0.639 56.825 56.100 0.142 0.000 1.030 393 R CB 0.209 30.494 30.300 -0.025 0.000 0.932 393 R HN 0.476 nan 8.270 nan 0.000 0.477 394 T N -0.155 114.509 114.554 0.183 0.000 2.982 394 T HA 0.127 4.477 4.350 0.000 0.000 0.321 394 T C -1.026 173.432 174.700 -0.402 0.000 1.229 394 T CA -0.981 61.105 62.100 -0.022 0.000 1.044 394 T CB 2.623 71.457 68.868 -0.056 0.000 1.184 394 T HN -0.060 nan 8.240 nan 0.000 0.477 395 K N 2.740 122.601 120.400 -0.899 0.000 2.473 395 K HA 0.097 4.417 4.320 0.000 0.000 0.277 395 K C -2.312 174.006 176.600 -0.470 0.000 1.052 395 K CA -0.865 54.760 56.287 -1.104 0.000 1.114 395 K CB -0.107 32.013 32.500 -0.634 0.000 0.869 395 K HN 0.185 nan 8.250 nan 0.000 0.481 396 P HA -0.040 nan 4.420 nan 0.000 0.265 396 P C -1.092 176.101 177.300 -0.178 0.000 1.187 396 P CA 0.333 63.150 63.100 -0.472 0.000 0.766 396 P CB 0.211 31.543 31.700 -0.614 0.000 0.820 397 F N -1.412 118.360 119.950 -0.296 0.000 2.613 397 F HA 0.723 5.250 4.527 0.000 0.000 0.310 397 F C -0.554 175.127 175.800 -0.197 0.000 1.085 397 F CA -1.047 56.787 58.000 -0.275 0.000 0.945 397 F CB 1.148 39.960 39.000 -0.313 0.000 1.298 397 F HN 0.242 nan 8.300 nan 0.000 0.455 398 T N -1.319 113.154 114.554 -0.135 0.000 2.925 398 T HA 0.305 4.655 4.350 0.000 0.000 0.285 398 T C 0.454 175.180 174.700 0.043 0.000 1.021 398 T CA -0.841 61.191 62.100 -0.114 0.000 1.042 398 T CB 1.529 70.338 68.868 -0.099 0.000 1.037 398 T HN 0.719 nan 8.240 nan 0.000 0.481 399 N N 1.038 119.801 118.700 0.104 0.000 2.132 399 N HA -0.207 4.533 4.740 0.000 0.000 0.191 399 N C 2.146 177.809 175.510 0.254 0.000 1.015 399 N CA 1.583 54.797 53.050 0.274 0.000 0.864 399 N CB -0.544 38.049 38.487 0.176 0.000 1.006 399 N HN 0.868 nan 8.380 nan 0.000 0.430 400 A N 1.178 124.075 122.820 0.128 0.000 1.940 400 A HA -0.180 4.140 4.320 0.000 0.000 0.219 400 A C 2.045 179.699 177.584 0.117 0.000 1.176 400 A CA 1.191 53.298 52.037 0.117 0.000 0.631 400 A CB -0.582 18.462 19.000 0.073 0.000 0.814 400 A HN 0.377 nan 8.150 nan 0.000 0.446 401 Q N -1.887 117.931 119.800 0.030 0.000 2.368 401 Q HA -0.202 4.138 4.340 0.000 0.000 0.210 401 Q C 0.933 176.886 176.000 -0.079 0.000 0.982 401 Q CA 1.081 56.849 55.803 -0.058 0.000 0.884 401 Q CB -0.215 28.388 28.738 -0.224 0.000 0.933 401 Q HN 0.934 nan 8.270 nan 0.000 0.460 402 W N 0.178 121.544 121.300 0.111 0.000 3.405 402 W HA 0.191 4.851 4.660 0.000 0.000 0.300 402 W C 1.093 177.664 176.519 0.086 0.000 1.286 402 W CA -0.457 56.940 57.345 0.087 0.000 1.762 402 W CB 0.219 29.724 29.460 0.076 0.000 1.087 402 W HN 0.023 nan 8.180 nan 0.000 0.703 403 G N 0.074 109.031 108.800 0.260 0.000 2.537 403 G HA2 0.213 4.173 3.960 0.000 0.000 0.297 403 G HA3 0.213 4.173 3.960 0.000 0.000 0.297 403 G C 0.674 175.681 174.900 0.179 0.000 1.310 403 G CA -0.625 44.596 45.100 0.203 0.000 1.027 403 G HN 0.066 nan 8.290 nan 0.000 0.505 404 R N -0.312 120.281 120.500 0.154 0.000 2.127 404 R HA 0.099 4.439 4.340 0.000 0.000 0.217 404 R C 1.711 178.096 176.300 0.143 0.000 1.074 404 R CA 0.405 56.595 56.100 0.150 0.000 0.991 404 R CB -0.326 30.052 30.300 0.130 0.000 0.895 404 R HN 0.659 nan 8.270 nan 0.000 0.450 405 G N 3.443 112.319 108.800 0.126 0.000 2.629 405 G HA2 -0.276 3.684 3.960 0.000 0.000 0.334 405 G HA3 -0.276 3.684 3.960 0.000 0.000 0.334 405 G C -0.122 174.843 174.900 0.109 0.000 0.169 405 G CA 0.793 45.959 45.100 0.111 0.000 1.174 405 G HN 0.546 nan 8.290 nan 0.000 0.506 406 N N 0.271 119.034 118.700 0.106 0.000 2.850 406 N HA -0.203 4.537 4.740 0.000 0.000 0.249 406 N C 1.429 177.032 175.510 0.155 0.000 1.060 406 N CA 1.565 54.683 53.050 0.115 0.000 0.825 406 N CB -1.579 36.965 38.487 0.094 0.000 1.132 406 N HN 0.611 nan 8.380 nan 0.000 0.564 407 T N -0.362 114.296 114.554 0.173 0.000 2.668 407 T HA -0.051 4.299 4.350 0.000 0.000 0.262 407 T C 2.034 176.824 174.700 0.150 0.000 1.045 407 T CA 1.771 64.002 62.100 0.219 0.000 1.152 407 T CB -0.562 68.448 68.868 0.237 0.000 0.864 407 T HN 0.531 nan 8.240 nan 0.000 0.419 408 G N 1.355 110.225 108.800 0.117 0.000 2.505 408 G HA2 -0.174 3.786 3.960 0.000 0.000 0.220 408 G HA3 -0.174 3.786 3.960 0.000 0.000 0.220 408 G C 1.813 176.754 174.900 0.068 0.000 1.145 408 G CA 1.238 46.387 45.100 0.082 0.000 0.761 408 G HN 0.593 nan 8.290 nan 0.000 0.571 409 A N 0.658 123.529 122.820 0.084 0.000 1.859 409 A HA -0.142 4.178 4.320 0.000 0.000 0.217 409 A C 2.710 180.333 177.584 0.064 0.000 1.198 409 A CA 3.379 55.466 52.037 0.084 0.000 0.629 409 A CB -1.382 17.687 19.000 0.114 0.000 0.830 409 A HN 0.710 nan 8.150 nan 0.000 0.446 410 T N -2.989 111.618 114.554 0.089 0.000 2.867 410 T HA -0.124 4.226 4.350 0.000 0.000 0.268 410 T C 2.047 176.697 174.700 -0.084 0.000 1.057 410 T CA 1.939 64.024 62.100 -0.025 0.000 1.136 410 T CB -0.653 68.268 68.868 0.088 0.000 0.874 410 T HN 0.457 nan 8.240 nan 0.000 0.466 411 S N 1.781 117.472 115.700 -0.015 0.000 2.359 411 S HA -0.123 4.347 4.470 0.000 0.000 0.222 411 S C 2.511 177.089 174.600 -0.038 0.000 1.038 411 S CA 1.875 60.061 58.200 -0.023 0.000 1.051 411 S CB -1.200 62.011 63.200 0.018 0.000 0.944 411 S HN 0.820 nan 8.310 nan 0.000 0.433 412 A N 1.703 124.508 122.820 -0.025 0.000 1.883 412 A HA 0.129 4.449 4.320 0.000 0.000 0.217 412 A C 2.566 180.111 177.584 -0.065 0.000 1.186 412 A CA 2.213 54.232 52.037 -0.029 0.000 0.624 412 A CB -1.622 17.372 19.000 -0.010 0.000 0.822 412 A HN 0.939 nan 8.150 nan 0.000 0.444 413 A N -0.040 122.711 122.820 -0.115 0.000 1.892 413 A HA -0.187 4.133 4.320 0.000 0.000 0.218 413 A C 2.153 179.621 177.584 -0.193 0.000 1.188 413 A CA 1.803 53.720 52.037 -0.200 0.000 0.631 413 A CB -0.684 18.046 19.000 -0.449 0.000 0.822 413 A HN 0.536 nan 8.150 nan 0.000 0.447 414 I N -0.460 120.000 120.570 -0.185 0.000 2.202 414 I HA -0.260 3.910 4.170 0.000 0.000 0.242 414 I C 2.949 179.026 176.117 -0.067 0.000 1.091 414 I CA 1.051 62.270 61.300 -0.135 0.000 1.368 414 I CB -0.393 37.548 38.000 -0.097 0.000 1.058 414 I HN 0.355 nan 8.210 nan 0.000 0.410 415 A N 0.723 123.515 122.820 -0.046 0.000 2.024 415 A HA -0.128 4.192 4.320 0.000 0.000 0.220 415 A C 2.263 179.832 177.584 -0.024 0.000 1.164 415 A CA 1.701 53.727 52.037 -0.019 0.000 0.643 415 A CB -0.682 18.309 19.000 -0.014 0.000 0.806 415 A HN 0.455 nan 8.150 nan 0.000 0.451 416 A N -0.862 121.933 122.820 -0.042 0.000 2.276 416 A HA 0.398 4.718 4.320 0.000 0.000 0.212 416 A C 1.636 179.198 177.584 -0.036 0.000 1.230 416 A CA 0.306 52.320 52.037 -0.037 0.000 0.844 416 A CB -0.474 18.500 19.000 -0.043 0.000 0.860 416 A HN 0.476 nan 8.150 nan 0.000 0.486 417 L N -0.310 120.894 121.223 -0.033 0.000 2.375 417 L HA 0.091 4.431 4.340 0.000 0.000 0.215 417 L C 0.683 177.556 176.870 0.005 0.000 1.108 417 L CA -0.092 54.734 54.840 -0.023 0.000 0.830 417 L CB -0.283 41.756 42.059 -0.033 0.000 0.959 417 L HN 0.268 nan 8.230 nan 0.000 0.457 418 I N 0.000 120.575 120.570 0.008 0.000 2.984 418 I HA 0.000 4.170 4.170 0.000 0.000 0.288 418 I CA 0.000 61.299 61.300 -0.001 0.000 1.566 418 I CB 0.000 37.992 38.000 -0.012 0.000 1.214 418 I HN 0.000 nan 8.210 nan 0.000 0.494