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 3eoe_1_D DATA FIRST_RESID 19 DATA SEQUENCE IRMSQILEPX SEEDWTAHRT RIVCTMGPAC WNVDTLVKMI DAGMNVCRLN DATA SEQUENCE FSHGDHETHA RTVQNIQEAM KQRPEARLAI LLDTKGPEXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXI LIXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXMNLXXX XXXLPVIGEK DKHDILNFGI DATA SEQUENCE PMGCNFIAAS FVQSADDVRY IRGLLGPRGR HIRIIPKIEN VEGLVNFDEI DATA SEQUENCE LAEADGIMIA RGDLGMEIPP EKVFLAQKMM IAKCNVVGKP VITATQMLES DATA SEQUENCE MIKNPRPTRA EAADVANAVL DGTDCVMLSG ETANGEFPVI TVETMARICY DATA SEQUENCE EAETCVDYPA LYRAMCLAXX XPISTQEAVA RAAVETAECV NAAIILALTE DATA SEQUENCE TGQTARLIAK YRPMQPILAL SASESTIKHL QVIRGVTTMQ VPXXXXXDHV DATA SEQUENCE IRNAIVVAXX XELVTEGESI VAVHXXXXXX XXXXNLLKVL TVE 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 19 I HA 0.000 nan 4.170 nan 0.000 0.288 19 I C 0.000 176.121 176.117 0.007 0.000 1.063 19 I CA 0.000 61.305 61.300 0.008 0.000 1.566 19 I CB 0.000 38.004 38.000 0.006 0.000 1.214 20 R N 3.145 123.651 120.500 0.010 0.000 2.500 20 R HA 0.972 5.313 4.340 0.001 0.000 0.275 20 R C 1.363 177.669 176.300 0.009 0.000 1.051 20 R CA 0.729 56.834 56.100 0.009 0.000 1.088 20 R CB 0.523 30.829 30.300 0.010 0.000 1.063 20 R HN 2.679 nan 8.270 nan 0.000 0.511 21 M N 1.189 120.794 119.600 0.007 0.000 2.159 21 M HA 0.030 4.510 4.480 0.001 0.000 0.263 21 M C 2.752 179.059 176.300 0.011 0.000 1.063 21 M CA 3.012 58.316 55.300 0.007 0.000 1.110 21 M CB -1.841 30.761 32.600 0.003 0.000 1.374 21 M HN 1.370 nan 8.290 nan 0.000 0.411 22 S N 0.423 116.130 115.700 0.012 0.000 2.407 22 S HA -0.098 4.372 4.470 0.001 0.000 0.235 22 S C 2.143 176.756 174.600 0.023 0.000 1.036 22 S CA 3.134 61.343 58.200 0.015 0.000 1.013 22 S CB -1.062 62.147 63.200 0.014 0.000 0.820 22 S HN 1.118 nan 8.310 nan 0.000 0.476 23 Q N 0.405 120.220 119.800 0.025 0.000 2.123 23 Q HA 0.200 4.541 4.340 0.001 0.000 0.199 23 Q C 2.155 178.180 176.000 0.041 0.000 0.966 23 Q CA 1.293 57.117 55.803 0.034 0.000 0.845 23 Q CB -0.848 27.909 28.738 0.032 0.000 0.907 23 Q HN 0.841 nan 8.270 nan 0.000 0.439 24 I N 0.074 120.662 120.570 0.030 0.000 2.315 24 I HA -0.157 4.014 4.170 0.001 0.000 0.248 24 I C 1.879 178.017 176.117 0.035 0.000 1.117 24 I CA 0.990 62.309 61.300 0.030 0.000 1.404 24 I CB 0.135 38.144 38.000 0.015 0.000 1.071 24 I HN 0.306 nan 8.210 nan 0.000 0.419 25 L N 0.230 121.469 121.223 0.027 0.000 2.627 25 L HA 0.051 4.392 4.340 0.001 0.000 0.232 25 L C 0.481 177.369 176.870 0.030 0.000 1.150 25 L CA -0.122 54.732 54.840 0.023 0.000 0.917 25 L CB -0.498 41.569 42.059 0.013 0.000 1.104 25 L HN 0.099 nan 8.230 nan 0.000 0.445 26 E N 2.017 122.243 120.200 0.045 0.000 2.290 26 E HA 0.211 4.561 4.350 0.001 0.000 0.277 26 E C -1.922 174.715 176.600 0.060 0.000 1.035 26 E CA -1.291 55.140 56.400 0.051 0.000 0.873 26 E CB 0.700 30.437 29.700 0.062 0.000 1.029 26 E HN 0.042 nan 8.360 nan 0.000 0.419 30 E N 2.028 122.105 120.200 -0.204 0.000 2.085 30 E HA -0.147 4.204 4.350 0.001 0.000 0.194 30 E C 2.278 178.380 176.600 -0.830 0.000 0.994 30 E CA 1.918 57.962 56.400 -0.594 0.000 0.801 30 E CB -0.192 29.358 29.700 -0.250 0.000 0.743 30 E HN 0.938 nan 8.360 nan 0.000 0.453 31 E N 0.823 120.754 120.200 -0.448 0.000 2.208 31 E HA -0.113 4.238 4.350 0.001 0.000 0.193 31 E C 1.648 178.053 176.600 -0.326 0.000 0.988 31 E CA 1.551 57.749 56.400 -0.336 0.000 0.828 31 E CB -1.198 28.391 29.700 -0.185 0.000 0.763 31 E HN 0.566 nan 8.360 nan 0.000 0.478 32 D N 0.048 120.226 120.400 -0.369 0.000 2.144 32 D HA -0.074 4.566 4.640 0.001 0.000 0.207 32 D C 1.954 177.964 176.300 -0.482 0.000 0.970 32 D CA 1.180 54.985 54.000 -0.326 0.000 0.853 32 D CB -1.045 39.579 40.800 -0.293 0.000 1.007 32 D HN 0.749 nan 8.370 nan 0.000 0.469 33 W N 0.500 121.460 121.300 -0.567 0.000 2.595 33 W HA 0.110 4.771 4.660 0.001 0.000 0.257 33 W C 1.768 178.293 176.519 0.010 0.000 1.267 33 W CA 1.440 58.520 57.345 -0.441 0.000 1.300 33 W CB -0.973 28.273 29.460 -0.357 0.000 1.120 33 W HN 0.277 nan 8.180 nan 0.000 0.618 34 T N 1.524 115.856 114.554 -0.369 0.000 2.962 34 T HA 0.189 4.540 4.350 0.001 0.000 0.270 34 T C 1.708 176.456 174.700 0.080 0.000 1.088 34 T CA 2.062 64.061 62.100 -0.169 0.000 1.127 34 T CB -0.382 68.225 68.868 -0.436 0.000 0.883 34 T HN 0.201 nan 8.240 nan 0.000 0.493 35 A N 1.697 124.559 122.820 0.071 0.000 2.640 35 A HA 0.472 4.793 4.320 0.001 0.000 0.282 35 A C 0.461 178.171 177.584 0.210 0.000 1.357 35 A CA -0.376 51.712 52.037 0.086 0.000 0.946 35 A CB -1.131 17.904 19.000 0.059 0.000 1.065 35 A HN 0.881 nan 8.150 nan 0.000 0.541 36 H N -2.668 116.548 119.070 0.243 0.000 2.679 36 H HA 0.511 5.068 4.556 0.001 0.000 0.369 36 H C 0.890 176.323 175.328 0.174 0.000 1.178 36 H CA -0.648 55.568 56.048 0.279 0.000 1.419 36 H CB 0.897 30.844 29.762 0.309 0.000 1.458 36 H HN 0.017 nan 8.280 nan 0.000 0.605 37 R N 1.023 121.608 120.500 0.141 0.000 2.146 37 R HA 0.089 4.430 4.340 0.001 0.000 0.206 37 R C 0.175 176.509 176.300 0.056 0.000 1.049 37 R CA 0.382 56.519 56.100 0.061 0.000 1.029 37 R CB -0.422 29.952 30.300 0.124 0.000 0.949 37 R HN 0.638 nan 8.270 nan 0.000 0.471 38 T N 3.537 118.190 114.554 0.164 0.000 2.930 38 T HA 0.140 4.490 4.350 0.001 0.000 0.306 38 T C 0.545 175.340 174.700 0.159 0.000 1.045 38 T CA -0.071 62.128 62.100 0.165 0.000 1.134 38 T CB 0.842 69.824 68.868 0.191 0.000 0.961 38 T HN -0.069 nan 8.240 nan 0.000 0.545 39 R N 2.147 122.707 120.500 0.100 0.000 2.500 39 R HA 0.540 4.881 4.340 0.001 0.000 0.277 39 R C -0.218 176.152 176.300 0.117 0.000 1.026 39 R CA -0.699 55.453 56.100 0.087 0.000 1.058 39 R CB 0.624 30.950 30.300 0.042 0.000 1.078 39 R HN 0.586 nan 8.270 nan 0.000 0.509 40 I N 1.457 122.103 120.570 0.126 0.000 2.389 40 I HA 0.236 4.407 4.170 0.001 0.000 0.288 40 I C -0.342 175.818 176.117 0.072 0.000 0.999 40 I CA -1.040 60.327 61.300 0.111 0.000 1.129 40 I CB 2.056 40.147 38.000 0.152 0.000 1.288 40 I HN 0.036 nan 8.210 nan 0.000 0.444 41 V N 5.459 125.399 119.914 0.044 0.000 2.383 41 V HA 0.296 4.417 4.120 0.001 0.000 0.275 41 V C -0.175 175.946 176.094 0.045 0.000 1.036 41 V CA -0.404 61.916 62.300 0.033 0.000 0.889 41 V CB 1.208 33.030 31.823 -0.001 0.000 0.985 41 V HN 0.797 nan 8.190 nan 0.000 0.459 42 C N 3.470 122.806 119.300 0.060 0.000 2.351 42 C HA 0.560 5.021 4.460 0.001 0.000 0.326 42 C C 0.800 175.833 174.990 0.072 0.000 1.272 42 C CA -0.643 58.412 59.018 0.061 0.000 1.650 42 C CB 1.038 28.818 27.740 0.067 0.000 2.257 42 C HN 0.868 nan 8.230 nan 0.000 0.505 43 T N 5.491 120.082 114.554 0.062 0.000 2.832 43 T HA 0.264 4.615 4.350 0.001 0.000 0.296 43 T C 0.425 175.170 174.700 0.076 0.000 0.968 43 T CA -0.198 61.949 62.100 0.078 0.000 1.107 43 T CB 0.329 69.235 68.868 0.064 0.000 0.916 43 T HN 0.464 nan 8.240 nan 0.000 0.517 44 M N 2.666 122.345 119.600 0.132 0.000 2.241 44 M HA 0.578 5.059 4.480 0.001 0.000 0.335 44 M C 0.844 177.171 176.300 0.045 0.000 1.122 44 M CA -0.096 55.300 55.300 0.159 0.000 1.164 44 M CB 0.621 33.421 32.600 0.334 0.000 1.459 44 M HN 0.917 nan 8.290 nan 0.000 0.461 45 G N 1.776 110.392 108.800 -0.307 0.000 2.349 45 G HA2 0.391 4.352 3.960 0.001 0.000 0.294 45 G HA3 0.391 4.352 3.960 0.001 0.000 0.294 45 G C -2.904 170.922 174.900 -1.789 0.000 1.380 45 G CA -0.722 43.908 45.100 -0.784 0.000 0.811 45 G HN 0.318 nan 8.290 nan 0.000 0.519 46 P HA -0.083 nan 4.420 nan 0.000 0.217 46 P C 1.842 178.742 177.300 -0.667 0.000 1.148 46 P CA 2.408 64.657 63.100 -1.418 0.000 0.834 46 P CB 0.213 31.479 31.700 -0.724 0.000 0.783 47 A N -1.347 121.173 122.820 -0.501 0.000 2.123 47 A HA -0.054 4.267 4.320 0.001 0.000 0.214 47 A C 1.941 179.418 177.584 -0.179 0.000 1.152 47 A CA 1.383 53.260 52.037 -0.268 0.000 0.728 47 A CB -1.083 17.789 19.000 -0.213 0.000 0.814 47 A HN 0.449 nan 8.150 nan 0.000 0.464 48 C N -5.630 113.552 119.300 -0.197 0.000 3.911 48 C HA 0.326 4.787 4.460 0.001 0.000 0.318 48 C C 1.653 176.697 174.990 0.090 0.000 1.643 48 C CA -0.815 58.178 59.018 -0.043 0.000 1.845 48 C CB -1.396 26.331 27.740 -0.023 0.000 2.981 48 C HN 0.570 nan 8.230 nan 0.000 0.656 49 W N 3.037 124.343 121.300 0.010 0.000 2.304 49 W HA -0.048 4.613 4.660 0.001 0.000 0.315 49 W C 0.785 177.315 176.519 0.018 0.000 1.233 49 W CA 1.195 58.548 57.345 0.015 0.000 1.261 49 W CB -1.340 28.120 29.460 0.000 0.000 1.150 49 W HN 0.398 nan 8.180 nan 0.000 0.494 50 N N 0.220 119.079 118.700 0.264 0.000 2.353 50 N HA -0.033 4.708 4.740 0.001 0.000 0.248 50 N C 1.206 176.784 175.510 0.113 0.000 1.240 50 N CA 0.266 53.409 53.050 0.155 0.000 0.862 50 N CB 0.791 39.344 38.487 0.110 0.000 1.086 50 N HN -0.276 nan 8.380 nan 0.000 0.453 51 V N 1.911 121.876 119.914 0.084 0.000 2.252 51 V HA -0.311 3.810 4.120 0.001 0.000 0.249 51 V C 1.681 177.811 176.094 0.060 0.000 1.056 51 V CA 2.306 64.645 62.300 0.066 0.000 1.022 51 V CB -0.620 31.231 31.823 0.047 0.000 0.641 51 V HN 0.661 nan 8.190 nan 0.000 0.445 52 D N -1.095 119.337 120.400 0.053 0.000 2.149 52 D HA -0.184 4.457 4.640 0.001 0.000 0.198 52 D C 2.210 178.539 176.300 0.049 0.000 0.990 52 D CA 1.596 55.623 54.000 0.045 0.000 0.839 52 D CB -0.591 40.232 40.800 0.038 0.000 0.948 52 D HN 0.702 nan 8.370 nan 0.000 0.460 53 T N 0.525 115.113 114.554 0.056 0.000 2.770 53 T HA 0.021 4.372 4.350 0.001 0.000 0.263 53 T C 2.271 177.010 174.700 0.065 0.000 1.039 53 T CA 0.483 62.615 62.100 0.055 0.000 1.142 53 T CB -0.343 68.554 68.868 0.049 0.000 0.868 53 T HN 0.228 nan 8.240 nan 0.000 0.435 54 L N 0.880 122.150 121.223 0.078 0.000 2.012 54 L HA -0.108 4.233 4.340 0.001 0.000 0.210 54 L C 2.718 179.631 176.870 0.072 0.000 1.073 54 L CA 0.987 55.877 54.840 0.084 0.000 0.748 54 L CB -0.842 41.275 42.059 0.097 0.000 0.891 54 L HN 0.125 nan 8.230 nan 0.000 0.431 55 V N -0.043 119.909 119.914 0.063 0.000 2.332 55 V HA -0.320 3.801 4.120 0.001 0.000 0.248 55 V C 2.502 178.629 176.094 0.056 0.000 1.055 55 V CA 1.844 64.176 62.300 0.054 0.000 1.038 55 V CB -0.496 31.353 31.823 0.045 0.000 0.651 55 V HN 0.423 nan 8.190 nan 0.000 0.450 56 K N -0.906 119.529 120.400 0.058 0.000 2.148 56 K HA -0.061 4.260 4.320 0.001 0.000 0.204 56 K C 2.122 178.769 176.600 0.078 0.000 1.050 56 K CA 1.337 57.663 56.287 0.064 0.000 0.942 56 K CB -0.178 32.358 32.500 0.060 0.000 0.724 56 K HN 0.412 nan 8.250 nan 0.000 0.446 57 M N 0.289 119.935 119.600 0.078 0.000 2.254 57 M HA -0.083 4.397 4.480 0.001 0.000 0.265 57 M C 1.989 178.347 176.300 0.097 0.000 1.066 57 M CA 1.235 56.588 55.300 0.089 0.000 1.123 57 M CB -0.162 32.487 32.600 0.082 0.000 1.388 57 M HN 0.099 nan 8.290 nan 0.000 0.425 58 I N 0.523 121.144 120.570 0.084 0.000 2.163 58 I HA -0.328 3.843 4.170 0.001 0.000 0.243 58 I C 1.797 177.963 176.117 0.082 0.000 1.085 58 I CA 1.249 62.597 61.300 0.080 0.000 1.347 58 I CB -0.543 37.494 38.000 0.063 0.000 1.044 58 I HN 0.258 nan 8.210 nan 0.000 0.408 59 D N 1.073 121.518 120.400 0.075 0.000 2.149 59 D HA -0.154 4.486 4.640 0.001 0.000 0.198 59 D C 2.164 178.533 176.300 0.114 0.000 0.990 59 D CA 1.532 55.574 54.000 0.070 0.000 0.839 59 D CB -0.190 40.645 40.800 0.058 0.000 0.948 59 D HN 0.381 nan 8.370 nan 0.000 0.460 60 A N -0.375 122.539 122.820 0.157 0.000 2.119 60 A HA 0.329 4.650 4.320 0.001 0.000 0.217 60 A C 1.722 179.480 177.584 0.290 0.000 1.153 60 A CA 1.451 53.636 52.037 0.247 0.000 0.692 60 A CB -0.005 19.107 19.000 0.187 0.000 0.799 60 A HN 0.311 nan 8.150 nan 0.000 0.458 61 G N -1.870 107.064 108.800 0.223 0.000 2.148 61 G HA2 -0.118 3.842 3.960 0.001 0.000 0.120 61 G HA3 -0.118 3.842 3.960 0.001 0.000 0.120 61 G C 0.061 175.084 174.900 0.206 0.000 1.034 61 G CA -0.005 45.256 45.100 0.268 0.000 0.710 61 G HN 0.469 nan 8.290 nan 0.000 0.495 62 M N 0.594 120.282 119.600 0.146 0.000 2.219 62 M HA 0.376 4.857 4.480 0.001 0.000 0.353 62 M C 1.007 177.368 176.300 0.102 0.000 1.304 62 M CA 0.733 56.103 55.300 0.118 0.000 1.115 62 M CB 0.225 32.886 32.600 0.102 0.000 1.664 62 M HN 0.247 nan 8.290 nan 0.000 0.459 63 N N 2.237 120.994 118.700 0.094 0.000 2.503 63 N HA 0.193 4.934 4.740 0.001 0.000 0.210 63 N C -1.077 174.484 175.510 0.086 0.000 1.077 63 N CA -0.126 52.972 53.050 0.080 0.000 0.855 63 N CB 1.008 39.537 38.487 0.069 0.000 1.323 63 N HN 0.395 nan 8.380 nan 0.000 0.452 64 V N 1.109 121.071 119.914 0.080 0.000 2.709 64 V HA 0.386 4.507 4.120 0.001 0.000 0.308 64 V C -0.889 175.261 176.094 0.094 0.000 1.062 64 V CA -1.025 61.328 62.300 0.087 0.000 0.901 64 V CB 1.900 33.741 31.823 0.030 0.000 1.003 64 V HN 0.154 nan 8.190 nan 0.000 0.425 65 C N 4.418 123.792 119.300 0.122 0.000 2.273 65 C HA 0.610 5.071 4.460 0.001 0.000 0.328 65 C C 0.498 175.576 174.990 0.148 0.000 1.275 65 C CA -0.791 58.308 59.018 0.134 0.000 1.704 65 C CB 0.110 27.941 27.740 0.152 0.000 2.326 65 C HN 0.944 nan 8.230 nan 0.000 0.517 66 R N 3.266 123.846 120.500 0.132 0.000 2.254 66 R HA 0.571 4.912 4.340 0.001 0.000 0.318 66 R C -1.165 175.243 176.300 0.180 0.000 1.031 66 R CA -0.401 55.780 56.100 0.136 0.000 0.905 66 R CB 0.403 30.760 30.300 0.095 0.000 1.050 66 R HN 0.808 nan 8.270 nan 0.000 0.456 67 L N 4.389 125.738 121.223 0.209 0.000 2.255 67 L HA 0.271 4.611 4.340 0.001 0.000 0.289 67 L C -0.005 176.999 176.870 0.222 0.000 1.046 67 L CA -0.766 54.217 54.840 0.239 0.000 0.816 67 L CB 1.090 43.313 42.059 0.272 0.000 1.197 67 L HN 0.580 nan 8.230 nan 0.000 0.427 68 N N 2.672 121.498 118.700 0.210 0.000 2.482 68 N HA 0.120 4.860 4.740 0.001 0.000 0.242 68 N C 0.185 175.777 175.510 0.136 0.000 1.100 68 N CA -0.079 53.084 53.050 0.190 0.000 0.946 68 N CB 0.279 38.889 38.487 0.205 0.000 1.227 68 N HN 0.328 nan 8.380 nan 0.000 0.508 69 F N 1.140 121.030 119.950 -0.101 0.000 2.769 69 F HA 0.103 4.631 4.527 0.001 0.000 0.304 69 F C 2.057 177.832 175.800 -0.041 0.000 1.158 69 F CA 0.099 58.025 58.000 -0.125 0.000 1.398 69 F CB 0.012 38.881 39.000 -0.218 0.000 1.094 69 F HN 0.438 nan 8.300 nan 0.000 0.553 70 S N -1.483 114.216 115.700 -0.002 0.000 2.402 70 S HA -0.078 4.392 4.470 0.001 0.000 0.229 70 S C 0.649 175.023 174.600 -0.376 0.000 1.021 70 S CA 0.867 58.929 58.200 -0.231 0.000 0.974 70 S CB -0.237 62.705 63.200 -0.430 0.000 0.800 70 S HN 0.317 nan 8.310 nan 0.000 0.484 71 H N -0.635 118.503 119.070 0.114 0.000 2.710 71 H HA 0.560 5.116 4.556 0.001 0.000 0.361 71 H C 0.787 176.162 175.328 0.079 0.000 1.175 71 H CA -0.144 55.954 56.048 0.083 0.000 1.206 71 H CB 0.714 30.514 29.762 0.063 0.000 1.750 71 H HN 0.363 nan 8.280 nan 0.000 0.553 72 G N 1.104 109.988 108.800 0.141 0.000 2.855 72 G HA2 -0.164 3.797 3.960 0.001 0.000 0.352 72 G HA3 -0.164 3.797 3.960 0.001 0.000 0.352 72 G C -0.842 174.066 174.900 0.012 0.000 1.415 72 G CA 0.095 45.178 45.100 -0.028 0.000 0.871 72 G HN 0.924 nan 8.290 nan 0.000 0.543 73 D N -2.985 117.396 120.400 -0.031 0.000 2.687 73 D HA 0.529 5.170 4.640 0.001 0.000 0.264 73 D C 1.142 177.574 176.300 0.220 0.000 1.091 73 D CA -0.324 53.751 54.000 0.125 0.000 1.123 73 D CB 0.150 41.007 40.800 0.095 0.000 1.407 73 D HN 0.541 nan 8.370 nan 0.000 0.591 74 H N -0.932 118.236 119.070 0.164 0.000 2.422 74 H HA -0.099 4.458 4.556 0.001 0.000 0.298 74 H C 1.316 176.795 175.328 0.252 0.000 1.098 74 H CA 1.229 57.450 56.048 0.289 0.000 1.315 74 H CB 0.485 30.482 29.762 0.392 0.000 1.382 74 H HN 0.545 nan 8.280 nan 0.000 0.523 75 E N 0.249 120.593 120.200 0.240 0.000 2.072 75 E HA -0.127 4.224 4.350 0.001 0.000 0.191 75 E C 2.020 178.615 176.600 -0.007 0.000 0.985 75 E CA 1.159 57.626 56.400 0.112 0.000 0.801 75 E CB 0.222 29.957 29.700 0.058 0.000 0.750 75 E HN 0.282 nan 8.360 nan 0.000 0.452 76 T N 0.130 114.616 114.554 -0.114 0.000 2.674 76 T HA -0.150 4.201 4.350 0.001 0.000 0.265 76 T C 1.532 175.998 174.700 -0.390 0.000 1.039 76 T CA 1.214 63.114 62.100 -0.333 0.000 1.150 76 T CB -0.293 68.323 68.868 -0.420 0.000 0.864 76 T HN 0.310 nan 8.240 nan 0.000 0.427 77 H N 0.463 119.430 119.070 -0.172 0.000 2.495 77 H HA 0.241 4.798 4.556 0.001 0.000 0.287 77 H C 2.490 177.948 175.328 0.217 0.000 1.033 77 H CA 0.981 56.946 56.048 -0.139 0.000 1.307 77 H CB -0.313 29.073 29.762 -0.626 0.000 1.401 77 H HN 0.384 nan 8.280 nan 0.000 0.555 78 A N 1.320 124.381 122.820 0.401 0.000 1.898 78 A HA -0.157 4.164 4.320 0.001 0.000 0.216 78 A C 2.474 180.110 177.584 0.087 0.000 1.181 78 A CA 1.200 53.413 52.037 0.293 0.000 0.620 78 A CB -0.438 18.689 19.000 0.212 0.000 0.819 78 A HN 0.235 nan 8.150 nan 0.000 0.442 79 R N -0.886 119.598 120.500 -0.028 0.000 2.115 79 R HA -0.101 4.240 4.340 0.001 0.000 0.230 79 R C 2.085 178.301 176.300 -0.140 0.000 1.111 79 R CA 1.775 57.805 56.100 -0.117 0.000 0.976 79 R CB -0.414 29.754 30.300 -0.219 0.000 0.870 79 R HN 0.529 nan 8.270 nan 0.000 0.445 80 T N 0.229 114.681 114.554 -0.169 0.000 2.708 80 T HA -0.099 4.251 4.350 0.001 0.000 0.266 80 T C 1.797 176.538 174.700 0.069 0.000 1.037 80 T CA 1.444 63.493 62.100 -0.085 0.000 1.146 80 T CB -0.118 68.745 68.868 -0.008 0.000 0.865 80 T HN 0.022 nan 8.240 nan 0.000 0.435 81 V N 1.405 121.397 119.914 0.131 0.000 2.343 81 V HA -0.217 3.903 4.120 0.001 0.000 0.247 81 V C 2.586 178.717 176.094 0.062 0.000 1.051 81 V CA 1.704 64.083 62.300 0.131 0.000 1.036 81 V CB -0.660 31.261 31.823 0.164 0.000 0.654 81 V HN 0.497 nan 8.190 nan 0.000 0.451 82 Q N -0.266 119.553 119.800 0.032 0.000 2.124 82 Q HA -0.191 4.150 4.340 0.001 0.000 0.202 82 Q C 2.211 178.221 176.000 0.017 0.000 0.977 82 Q CA 1.662 57.471 55.803 0.011 0.000 0.850 82 Q CB -0.197 28.537 28.738 -0.006 0.000 0.901 82 Q HN 0.610 nan 8.270 nan 0.000 0.429 83 N N 0.396 119.107 118.700 0.018 0.000 2.188 83 N HA -0.096 4.645 4.740 0.001 0.000 0.184 83 N C 1.646 177.192 175.510 0.059 0.000 1.018 83 N CA 0.966 54.038 53.050 0.036 0.000 0.858 83 N CB -0.105 38.406 38.487 0.040 0.000 0.989 83 N HN 0.235 nan 8.380 nan 0.000 0.426 84 I N 1.265 121.879 120.570 0.074 0.000 2.179 84 I HA -0.300 3.871 4.170 0.001 0.000 0.242 84 I C 2.207 178.358 176.117 0.057 0.000 1.088 84 I CA 1.188 62.537 61.300 0.081 0.000 1.357 84 I CB -0.247 37.815 38.000 0.102 0.000 1.051 84 I HN 0.152 nan 8.210 nan 0.000 0.409 85 Q N 0.398 120.224 119.800 0.043 0.000 2.135 85 Q HA -0.244 4.097 4.340 0.001 0.000 0.204 85 Q C 2.438 178.451 176.000 0.022 0.000 0.981 85 Q CA 2.116 57.935 55.803 0.026 0.000 0.856 85 Q CB -0.292 28.454 28.738 0.013 0.000 0.902 85 Q HN 0.696 nan 8.270 nan 0.000 0.425 86 E N 0.429 120.643 120.200 0.025 0.000 2.216 86 E HA 0.068 4.418 4.350 0.001 0.000 0.192 86 E C 1.838 178.455 176.600 0.029 0.000 0.988 86 E CA 0.901 57.314 56.400 0.022 0.000 0.834 86 E CB -0.510 29.202 29.700 0.020 0.000 0.772 86 E HN 0.476 nan 8.360 nan 0.000 0.479 87 A N 0.189 123.032 122.820 0.039 0.000 1.930 87 A HA 0.043 4.364 4.320 0.001 0.000 0.217 87 A C 2.423 180.029 177.584 0.037 0.000 1.175 87 A CA 1.656 53.719 52.037 0.044 0.000 0.627 87 A CB -0.291 18.744 19.000 0.058 0.000 0.815 87 A HN 0.485 nan 8.150 nan 0.000 0.443 88 M N -0.412 119.209 119.600 0.034 0.000 2.394 88 M HA -0.094 4.387 4.480 0.001 0.000 0.264 88 M C 2.551 178.861 176.300 0.018 0.000 1.073 88 M CA 1.522 56.838 55.300 0.026 0.000 1.111 88 M CB -0.198 32.416 32.600 0.024 0.000 1.401 88 M HN 0.497 nan 8.290 nan 0.000 0.448 89 K N 0.432 120.842 120.400 0.016 0.000 2.097 89 K HA -0.132 4.188 4.320 0.001 0.000 0.205 89 K C 1.547 178.154 176.600 0.012 0.000 1.050 89 K CA 1.445 57.739 56.287 0.011 0.000 0.938 89 K CB -0.902 31.604 32.500 0.010 0.000 0.718 89 K HN 0.567 nan 8.250 nan 0.000 0.442 90 Q N -0.646 119.164 119.800 0.016 0.000 2.331 90 Q HA 0.050 4.391 4.340 0.001 0.000 0.203 90 Q C 0.346 176.356 176.000 0.016 0.000 0.944 90 Q CA 0.301 56.114 55.803 0.016 0.000 0.892 90 Q CB 0.491 29.241 28.738 0.021 0.000 0.983 90 Q HN 0.219 nan 8.270 nan 0.000 0.482 91 R N 1.137 121.648 120.500 0.018 0.000 2.664 91 R HA 0.180 4.521 4.340 0.001 0.000 0.281 91 R C -2.062 174.246 176.300 0.012 0.000 1.383 91 R CA -1.760 54.350 56.100 0.016 0.000 1.563 91 R CB 0.566 30.881 30.300 0.023 0.000 1.131 91 R HN 0.108 nan 8.270 nan 0.000 0.599 92 P HA -0.116 nan 4.420 nan 0.000 0.222 92 P C 0.454 177.755 177.300 0.002 0.000 1.147 92 P CA 1.037 64.139 63.100 0.003 0.000 0.790 92 P CB 0.504 32.204 31.700 0.001 0.000 0.780 93 E N -0.448 119.753 120.200 0.002 0.000 2.427 93 E HA 0.138 4.489 4.350 0.001 0.000 0.196 93 E C 0.794 177.396 176.600 0.004 0.000 1.028 93 E CA -0.145 56.255 56.400 0.000 0.000 0.864 93 E CB 0.062 29.760 29.700 -0.002 0.000 0.813 93 E HN 0.221 nan 8.360 nan 0.000 0.514 94 A N 1.459 124.285 122.820 0.010 0.000 2.303 94 A HA 0.487 4.808 4.320 0.001 0.000 0.317 94 A C -0.064 177.530 177.584 0.017 0.000 1.149 94 A CA -0.520 51.527 52.037 0.017 0.000 0.822 94 A CB 0.692 19.708 19.000 0.027 0.000 1.131 94 A HN -0.016 nan 8.150 nan 0.000 0.493 95 R N 2.564 123.077 120.500 0.022 0.000 2.607 95 R HA 0.263 4.604 4.340 0.001 0.000 0.278 95 R C -1.516 174.809 176.300 0.042 0.000 1.637 95 R CA -0.195 55.917 56.100 0.021 0.000 1.325 95 R CB 0.625 30.927 30.300 0.005 0.000 1.211 95 R HN 0.699 nan 8.270 nan 0.000 0.565 96 L N 2.045 123.299 121.223 0.053 0.000 2.360 96 L HA 0.327 4.668 4.340 0.001 0.000 0.276 96 L C 0.942 177.871 176.870 0.098 0.000 1.121 96 L CA -0.295 54.593 54.840 0.079 0.000 0.845 96 L CB 0.956 43.065 42.059 0.083 0.000 1.143 96 L HN 0.424 nan 8.230 nan 0.000 0.452 97 A N 5.583 128.491 122.820 0.145 0.000 2.371 97 A HA 0.649 4.970 4.320 0.001 0.000 0.257 97 A C -0.315 177.404 177.584 0.225 0.000 1.089 97 A CA -0.281 51.890 52.037 0.222 0.000 0.794 97 A CB 0.246 19.501 19.000 0.424 0.000 1.029 97 A HN 0.663 nan 8.150 nan 0.000 0.488 98 I N 1.674 122.387 120.570 0.238 0.000 2.406 98 I HA 0.379 4.550 4.170 0.001 0.000 0.290 98 I C -0.538 175.754 176.117 0.292 0.000 0.999 98 I CA -0.222 61.216 61.300 0.229 0.000 1.124 98 I CB 1.700 39.812 38.000 0.187 0.000 1.289 98 I HN 0.623 nan 8.210 nan 0.000 0.441 99 L N 7.470 128.849 121.223 0.261 0.000 2.325 99 L HA 0.565 4.906 4.340 0.001 0.000 0.281 99 L C -1.180 175.796 176.870 0.176 0.000 1.004 99 L CA -0.656 54.335 54.840 0.252 0.000 0.823 99 L CB 1.496 43.654 42.059 0.165 0.000 1.236 99 L HN 0.584 nan 8.230 nan 0.000 0.415 100 L N 5.137 126.435 121.223 0.126 0.000 2.315 100 L HA 0.332 4.673 4.340 0.001 0.000 0.283 100 L C -0.578 176.295 176.870 0.005 0.000 1.089 100 L CA -0.063 54.784 54.840 0.013 0.000 0.833 100 L CB 0.539 42.489 42.059 -0.183 0.000 1.170 100 L HN 0.629 nan 8.230 nan 0.000 0.442 101 D N 3.846 124.283 120.400 0.061 0.000 2.329 101 D HA 0.169 4.809 4.640 0.001 0.000 0.232 101 D C -0.184 176.149 176.300 0.056 0.000 1.088 101 D CA -0.228 53.804 54.000 0.053 0.000 0.835 101 D CB 1.318 42.161 40.800 0.072 0.000 1.078 101 D HN 0.596 nan 8.370 nan 0.000 0.495 102 T N 0.904 115.468 114.554 0.018 0.000 2.898 102 T HA 0.110 4.461 4.350 0.001 0.000 0.301 102 T C 1.321 176.081 174.700 0.100 0.000 1.049 102 T CA -0.485 61.638 62.100 0.038 0.000 1.095 102 T CB 1.942 70.831 68.868 0.035 0.000 0.976 102 T HN 0.387 nan 8.240 nan 0.000 0.539 103 K N 1.741 122.217 120.400 0.128 0.000 2.001 103 K HA 0.128 4.449 4.320 0.001 0.000 0.208 103 K C 1.407 178.128 176.600 0.201 0.000 1.048 103 K CA 1.280 57.648 56.287 0.134 0.000 0.932 103 K CB -1.094 31.474 32.500 0.113 0.000 0.715 103 K HN 1.094 nan 8.250 nan 0.000 0.437 104 G N 0.201 109.106 108.800 0.175 0.000 2.601 104 G HA2 -0.231 3.730 3.960 0.001 0.000 0.252 104 G HA3 -0.231 3.730 3.960 0.001 0.000 0.252 104 G C -2.206 172.750 174.900 0.092 0.000 1.294 104 G CA 0.004 45.227 45.100 0.204 0.000 0.912 104 G HN 0.316 nan 8.290 nan 0.000 0.574 105 P HA 0.206 nan 4.420 nan 0.000 0.236 105 P C 0.650 177.670 177.300 -0.468 0.000 1.709 105 P CA 0.384 63.351 63.100 -0.221 0.000 0.942 105 P CB -0.688 30.871 31.700 -0.235 0.000 1.615 159 L N 2.886 124.119 121.223 0.017 0.000 2.552 159 L HA 0.581 4.922 4.340 0.001 0.000 0.227 159 L C 1.276 178.161 176.870 0.025 0.000 1.146 159 L CA 1.456 56.309 54.840 0.021 0.000 0.858 159 L CB -1.490 40.580 42.059 0.018 0.000 0.969 159 L HN 0.781 nan 8.230 nan 0.000 0.451 194 N N 1.081 119.795 118.700 0.022 0.000 2.647 194 N HA 1.023 5.763 4.740 0.001 0.000 0.266 194 N C -1.408 174.106 175.510 0.006 0.000 1.373 194 N CA -0.130 52.932 53.050 0.019 0.000 0.807 194 N CB 1.778 40.291 38.487 0.044 0.000 1.513 194 N HN 0.793 nan 8.380 nan 0.000 0.505 203 P HA 0.241 nan 4.420 nan 0.000 0.275 203 P C 0.556 177.837 177.300 -0.031 0.000 1.228 203 P CA -0.527 62.537 63.100 -0.060 0.000 0.786 203 P CB 1.762 33.421 31.700 -0.068 0.000 0.927 204 V N 1.425 121.328 119.914 -0.019 0.000 2.379 204 V HA -0.119 4.002 4.120 0.001 0.000 0.245 204 V C 1.139 177.272 176.094 0.066 0.000 1.044 204 V CA 1.371 63.698 62.300 0.046 0.000 1.036 204 V CB -0.509 31.350 31.823 0.061 0.000 0.664 204 V HN 0.449 nan 8.190 nan 0.000 0.453 205 I N 0.354 120.945 120.570 0.035 0.000 2.437 205 I HA 0.557 4.728 4.170 0.001 0.000 0.279 205 I C 0.630 176.778 176.117 0.052 0.000 1.028 205 I CA 0.185 61.540 61.300 0.091 0.000 1.142 205 I CB 0.929 39.063 38.000 0.223 0.000 1.266 205 I HN 0.075 nan 8.210 nan 0.000 0.461 206 G N 3.219 112.052 108.800 0.056 0.000 2.531 206 G HA2 0.249 4.210 3.960 0.001 0.000 0.281 206 G HA3 0.249 4.210 3.960 0.001 0.000 0.281 206 G C 0.597 175.547 174.900 0.082 0.000 1.382 206 G CA -0.120 45.006 45.100 0.043 0.000 1.045 206 G HN 0.505 nan 8.290 nan 0.000 0.533 207 E N -0.744 119.496 120.200 0.068 0.000 2.110 207 E HA -0.098 4.252 4.350 0.001 0.000 0.193 207 E C 2.263 178.929 176.600 0.110 0.000 0.988 207 E CA 1.181 57.630 56.400 0.082 0.000 0.804 207 E CB 0.038 29.765 29.700 0.045 0.000 0.745 207 E HN 0.478 nan 8.360 nan 0.000 0.458 208 K N 0.408 120.867 120.400 0.098 0.000 2.025 208 K HA -0.169 4.152 4.320 0.001 0.000 0.207 208 K C 1.306 178.014 176.600 0.181 0.000 1.049 208 K CA 1.668 58.037 56.287 0.137 0.000 0.933 208 K CB -0.132 32.432 32.500 0.108 0.000 0.714 208 K HN 0.118 nan 8.250 nan 0.000 0.438 209 D N 0.933 121.412 120.400 0.132 0.000 2.123 209 D HA -0.201 4.440 4.640 0.001 0.000 0.196 209 D C 1.867 178.224 176.300 0.096 0.000 0.992 209 D CA 1.176 55.237 54.000 0.102 0.000 0.833 209 D CB -0.086 40.770 40.800 0.094 0.000 0.954 209 D HN 0.315 nan 8.370 nan 0.000 0.455 210 K N -0.000 120.481 120.400 0.135 0.000 2.097 210 K HA -0.208 4.113 4.320 0.001 0.000 0.206 210 K C 2.193 178.876 176.600 0.138 0.000 1.049 210 K CA 1.133 57.497 56.287 0.129 0.000 0.933 210 K CB -0.055 32.539 32.500 0.158 0.000 0.717 210 K HN 0.111 nan 8.250 nan 0.000 0.442 211 H N 0.800 119.927 119.070 0.095 0.000 2.389 211 H HA -0.071 4.486 4.556 0.001 0.000 0.299 211 H C 1.319 176.780 175.328 0.222 0.000 1.081 211 H CA 2.129 58.259 56.048 0.136 0.000 1.345 211 H CB 0.011 29.841 29.762 0.113 0.000 1.393 211 H HN 0.306 nan 8.280 nan 0.000 0.520 212 D N 0.148 120.645 120.400 0.161 0.000 2.097 212 D HA -0.133 4.508 4.640 0.001 0.000 0.195 212 D C 2.397 178.588 176.300 -0.182 0.000 0.989 212 D CA 1.458 55.452 54.000 -0.010 0.000 0.827 212 D CB -0.251 40.439 40.800 -0.184 0.000 0.966 212 D HN 0.463 nan 8.370 nan 0.000 0.456 213 I N 0.458 120.954 120.570 -0.122 0.000 2.142 213 I HA -0.236 3.935 4.170 0.001 0.000 0.240 213 I C 2.464 178.539 176.117 -0.071 0.000 1.078 213 I CA 0.857 62.094 61.300 -0.105 0.000 1.343 213 I CB -0.198 37.763 38.000 -0.065 0.000 1.046 213 I HN -0.034 nan 8.210 nan 0.000 0.405 214 L N 0.121 121.317 121.223 -0.045 0.000 2.072 214 L HA -0.161 4.180 4.340 0.001 0.000 0.205 214 L C 1.461 178.301 176.870 -0.049 0.000 1.079 214 L CA 1.802 56.620 54.840 -0.038 0.000 0.752 214 L CB -0.496 41.560 42.059 -0.005 0.000 0.906 214 L HN 0.335 nan 8.230 nan 0.000 0.436 215 N N -2.191 116.464 118.700 -0.075 0.000 2.205 215 N HA 0.066 4.807 4.740 0.001 0.000 0.201 215 N C 0.928 176.420 175.510 -0.030 0.000 1.128 215 N CA 0.005 53.016 53.050 -0.064 0.000 0.867 215 N CB 0.656 39.051 38.487 -0.154 0.000 0.996 215 N HN 0.154 nan 8.380 nan 0.000 0.503 216 F N -0.045 119.744 119.950 -0.268 0.000 2.268 216 F HA 0.359 4.887 4.527 0.001 0.000 0.262 216 F C 2.207 177.879 175.800 -0.213 0.000 0.910 216 F CA 0.101 57.905 58.000 -0.327 0.000 1.142 216 F CB -0.438 38.183 39.000 -0.632 0.000 1.229 216 F HN -0.092 nan 8.300 nan 0.000 0.781 217 G N 2.096 110.933 108.800 0.061 0.000 2.553 217 G HA2 -0.303 3.658 3.960 0.001 0.000 0.218 217 G HA3 -0.303 3.658 3.960 0.001 0.000 0.218 217 G C 1.608 176.474 174.900 -0.056 0.000 1.195 217 G CA 1.881 46.987 45.100 0.010 0.000 0.779 217 G HN 0.436 nan 8.290 nan 0.000 0.577 218 I N 1.829 122.355 120.570 -0.073 0.000 2.110 218 I HA -0.088 4.083 4.170 0.001 0.000 0.236 218 I C 0.209 176.266 176.117 -0.099 0.000 1.068 218 I CA 1.243 62.500 61.300 -0.071 0.000 1.333 218 I CB -1.042 36.923 38.000 -0.059 0.000 1.054 218 I HN 0.197 nan 8.210 nan 0.000 0.402 219 P HA -0.121 nan 4.420 nan 0.000 0.223 219 P C 1.503 178.679 177.300 -0.206 0.000 1.151 219 P CA 1.435 64.449 63.100 -0.144 0.000 0.787 219 P CB -0.031 31.587 31.700 -0.137 0.000 0.788 220 M N -1.646 117.756 119.600 -0.331 0.000 2.561 220 M HA 0.225 4.706 4.480 0.001 0.000 0.238 220 M C 1.199 177.379 176.300 -0.200 0.000 1.131 220 M CA 0.751 55.807 55.300 -0.406 0.000 1.046 220 M CB -1.216 30.805 32.600 -0.965 0.000 1.532 220 M HN 0.123 nan 8.290 nan 0.000 0.497 221 G N 1.068 109.793 108.800 -0.126 0.000 2.160 221 G HA2 -0.217 3.744 3.960 0.001 0.000 0.244 221 G HA3 -0.217 3.744 3.960 0.001 0.000 0.244 221 G C 0.098 174.986 174.900 -0.020 0.000 1.022 221 G CA -0.139 44.923 45.100 -0.063 0.000 0.741 221 G HN 0.486 nan 8.290 nan 0.000 0.508 222 C N -0.093 119.210 119.300 0.005 0.000 2.653 222 C HA 0.303 4.764 4.460 0.001 0.000 0.421 222 C C 1.845 176.851 174.990 0.027 0.000 1.334 222 C CA 0.456 59.515 59.018 0.067 0.000 1.885 222 C CB 0.046 27.852 27.740 0.109 0.000 2.645 222 C HN 0.670 nan 8.230 nan 0.000 0.601 223 N N 0.282 119.000 118.700 0.030 0.000 2.409 223 N HA 0.189 4.930 4.740 0.001 0.000 0.174 223 N C -0.619 174.660 175.510 -0.386 0.000 1.037 223 N CA 0.655 53.616 53.050 -0.149 0.000 0.898 223 N CB 0.187 38.549 38.487 -0.207 0.000 1.010 223 N HN 0.593 nan 8.380 nan 0.000 0.445 224 F N 0.397 120.404 119.950 0.095 0.000 2.565 224 F HA 0.473 5.001 4.527 0.001 0.000 0.313 224 F C -0.659 175.152 175.800 0.019 0.000 1.091 224 F CA -1.105 56.924 58.000 0.049 0.000 0.915 224 F CB 1.705 40.736 39.000 0.052 0.000 1.208 224 F HN -0.245 nan 8.300 nan 0.000 0.453 225 I N 2.686 123.360 120.570 0.174 0.000 2.328 225 I HA 0.398 4.568 4.170 0.001 0.000 0.287 225 I C -0.045 176.124 176.117 0.087 0.000 1.012 225 I CA -0.795 60.554 61.300 0.082 0.000 1.195 225 I CB 0.943 38.954 38.000 0.020 0.000 1.350 225 I HN 0.657 nan 8.210 nan 0.000 0.464 226 A N 5.990 128.849 122.820 0.064 0.000 2.343 226 A HA 0.689 5.010 4.320 0.001 0.000 0.305 226 A C 0.457 178.049 177.584 0.013 0.000 1.308 226 A CA -0.454 51.602 52.037 0.032 0.000 0.949 226 A CB 0.151 19.159 19.000 0.014 0.000 1.148 226 A HN 0.801 nan 8.150 nan 0.000 0.545 227 A N 3.416 126.246 122.820 0.017 0.000 2.269 227 A HA 0.583 4.903 4.320 0.001 0.000 0.302 227 A C 0.625 178.211 177.584 0.004 0.000 1.266 227 A CA -0.302 51.750 52.037 0.025 0.000 0.894 227 A CB -0.004 19.024 19.000 0.046 0.000 1.147 227 A HN 0.762 nan 8.150 nan 0.000 0.537 228 S N 1.373 117.072 115.700 -0.002 0.000 2.572 228 S HA 0.384 4.855 4.470 0.001 0.000 0.279 228 S C -0.006 174.617 174.600 0.038 0.000 1.341 228 S CA 0.051 58.178 58.200 -0.121 0.000 1.043 228 S CB -0.367 62.768 63.200 -0.108 0.000 0.887 228 S HN 0.826 nan 8.310 nan 0.000 0.516 229 F N -0.537 119.429 119.950 0.027 0.000 3.090 229 F HA -0.170 4.358 4.527 0.001 0.000 0.282 229 F C 0.375 176.189 175.800 0.024 0.000 0.923 229 F CA -0.258 57.756 58.000 0.023 0.000 0.977 229 F CB -2.433 36.577 39.000 0.016 0.000 0.954 229 F HN 0.230 nan 8.300 nan 0.000 0.695 230 V N 0.977 120.966 119.914 0.126 0.000 2.585 230 V HA -0.034 4.087 4.120 0.001 0.000 0.296 230 V C 1.160 177.310 176.094 0.093 0.000 1.035 230 V CA 0.683 63.041 62.300 0.097 0.000 1.084 230 V CB 1.509 33.371 31.823 0.064 0.000 0.953 230 V HN 0.478 nan 8.190 nan 0.000 0.483 231 Q N 2.391 122.237 119.800 0.077 0.000 2.322 231 Q HA 0.216 4.557 4.340 0.001 0.000 0.250 231 Q C 0.428 176.456 176.000 0.046 0.000 0.853 231 Q CA 0.320 56.162 55.803 0.065 0.000 0.951 231 Q CB 1.277 30.049 28.738 0.057 0.000 1.114 231 Q HN 0.888 nan 8.270 nan 0.000 0.523 232 S N -1.945 113.776 115.700 0.036 0.000 2.625 232 S HA 0.627 5.097 4.470 0.001 0.000 0.271 232 S C 0.312 174.921 174.600 0.014 0.000 1.161 232 S CA -0.322 57.891 58.200 0.021 0.000 0.820 232 S CB 1.146 64.355 63.200 0.016 0.000 1.137 232 S HN 0.027 nan 8.310 nan 0.000 0.470 233 A N 0.630 123.451 122.820 0.001 0.000 2.015 233 A HA -0.013 4.308 4.320 0.001 0.000 0.219 233 A C 1.555 179.149 177.584 0.015 0.000 1.163 233 A CA 1.741 53.775 52.037 -0.005 0.000 0.646 233 A CB -1.086 17.903 19.000 -0.019 0.000 0.806 233 A HN 0.827 nan 8.150 nan 0.000 0.448 234 D N 0.508 120.921 120.400 0.022 0.000 2.149 234 D HA -0.141 4.499 4.640 0.001 0.000 0.198 234 D C 1.186 177.530 176.300 0.073 0.000 0.990 234 D CA 1.321 55.344 54.000 0.040 0.000 0.839 234 D CB -0.314 40.501 40.800 0.024 0.000 0.948 234 D HN 0.397 nan 8.370 nan 0.000 0.460 235 D N 0.153 120.589 120.400 0.060 0.000 2.123 235 D HA -0.106 4.535 4.640 0.001 0.000 0.196 235 D C 2.318 178.690 176.300 0.120 0.000 0.992 235 D CA 0.529 54.583 54.000 0.090 0.000 0.833 235 D CB -0.146 40.692 40.800 0.063 0.000 0.954 235 D HN 0.109 nan 8.370 nan 0.000 0.455 236 V N 1.079 121.033 119.914 0.068 0.000 2.358 236 V HA -0.189 3.932 4.120 0.001 0.000 0.246 236 V C 2.495 178.614 176.094 0.041 0.000 1.047 236 V CA 1.377 63.703 62.300 0.044 0.000 1.035 236 V CB -0.404 31.424 31.823 0.009 0.000 0.658 236 V HN 0.108 nan 8.190 nan 0.000 0.452 237 R N -1.007 119.522 120.500 0.047 0.000 2.091 237 R HA -0.211 4.130 4.340 0.001 0.000 0.238 237 R C 2.349 178.681 176.300 0.054 0.000 1.136 237 R CA 2.119 58.242 56.100 0.038 0.000 0.959 237 R CB -0.574 29.750 30.300 0.040 0.000 0.856 237 R HN 0.619 nan 8.270 nan 0.000 0.437 238 Y N 1.481 121.777 120.300 -0.006 0.000 2.165 238 Y HA -0.205 4.345 4.550 0.001 0.000 0.286 238 Y C 1.951 177.848 175.900 -0.004 0.000 1.155 238 Y CA 1.526 59.624 58.100 -0.003 0.000 1.164 238 Y CB -0.175 38.287 38.460 0.003 0.000 0.978 238 Y HN -0.060 nan 8.280 nan 0.000 0.513 239 I N -0.443 120.124 120.570 -0.005 0.000 2.202 239 I HA -0.257 3.913 4.170 0.001 0.000 0.242 239 I C 2.540 178.586 176.117 -0.118 0.000 1.091 239 I CA 1.421 62.676 61.300 -0.075 0.000 1.368 239 I CB -0.428 37.587 38.000 0.025 0.000 1.058 239 I HN 0.048 nan 8.210 nan 0.000 0.410 240 R N 1.547 122.002 120.500 -0.075 0.000 2.094 240 R HA -0.168 4.173 4.340 0.001 0.000 0.239 240 R C 2.243 178.478 176.300 -0.109 0.000 1.137 240 R CA 2.058 58.111 56.100 -0.077 0.000 0.943 240 R CB -1.185 29.084 30.300 -0.051 0.000 0.850 240 R HN 0.393 nan 8.270 nan 0.000 0.433 241 G N 0.211 108.930 108.800 -0.134 0.000 2.422 241 G HA2 -0.248 3.712 3.960 0.001 0.000 0.218 241 G HA3 -0.248 3.712 3.960 0.001 0.000 0.218 241 G C 1.496 176.274 174.900 -0.205 0.000 1.146 241 G CA 0.746 45.755 45.100 -0.152 0.000 0.769 241 G HN 0.363 nan 8.290 nan 0.000 0.547 242 L N -0.213 120.824 121.223 -0.311 0.000 2.046 242 L HA 0.003 4.344 4.340 0.001 0.000 0.208 242 L C 2.824 179.596 176.870 -0.164 0.000 1.077 242 L CA 0.902 55.565 54.840 -0.295 0.000 0.747 242 L CB -0.117 41.714 42.059 -0.381 0.000 0.896 242 L HN 0.228 nan 8.230 nan 0.000 0.432 243 L N -0.998 120.143 121.223 -0.137 0.000 1.988 243 L HA 0.019 4.360 4.340 0.001 0.000 0.207 243 L C 1.722 178.535 176.870 -0.095 0.000 1.071 243 L CA 0.975 55.754 54.840 -0.101 0.000 0.744 243 L CB -1.160 40.846 42.059 -0.088 0.000 0.893 243 L HN 0.529 nan 8.230 nan 0.000 0.433 244 G N -0.388 108.354 108.800 -0.096 0.000 2.550 244 G HA2 -0.300 3.661 3.960 0.001 0.000 0.277 244 G HA3 -0.300 3.661 3.960 0.001 0.000 0.277 244 G C -1.613 173.235 174.900 -0.088 0.000 1.190 244 G CA 0.119 45.168 45.100 -0.086 0.000 0.971 244 G HN 0.247 nan 8.290 nan 0.000 0.559 245 P HA -0.021 nan 4.420 nan 0.000 0.214 245 P C 1.753 178.991 177.300 -0.103 0.000 1.162 245 P CA 1.585 64.634 63.100 -0.085 0.000 0.874 245 P CB -0.140 31.522 31.700 -0.063 0.000 0.784 246 R N -0.585 119.865 120.500 -0.082 0.000 2.189 246 R HA 0.024 4.364 4.340 0.001 0.000 0.223 246 R C 2.047 178.295 176.300 -0.086 0.000 1.092 246 R CA 1.310 57.364 56.100 -0.076 0.000 0.989 246 R CB -0.647 29.622 30.300 -0.053 0.000 0.876 246 R HN 0.252 nan 8.270 nan 0.000 0.457 247 G N -0.024 108.721 108.800 -0.092 0.000 3.605 247 G HA2 -0.082 3.879 3.960 0.001 0.000 0.277 247 G HA3 -0.082 3.879 3.960 0.001 0.000 0.277 247 G C 1.144 175.982 174.900 -0.104 0.000 1.093 247 G CA -0.418 44.633 45.100 -0.082 0.000 0.821 247 G HN 0.163 nan 8.290 nan 0.000 0.532 248 R N -0.984 119.411 120.500 -0.175 0.000 2.193 248 R HA -0.050 4.290 4.340 0.001 0.000 0.229 248 R C 1.480 177.679 176.300 -0.169 0.000 1.110 248 R CA 1.140 57.118 56.100 -0.204 0.000 0.988 248 R CB -1.247 28.897 30.300 -0.261 0.000 0.871 248 R HN 0.497 nan 8.270 nan 0.000 0.458 249 H N -0.194 118.871 119.070 -0.009 0.000 2.547 249 H HA 0.450 5.007 4.556 0.001 0.000 0.266 249 H C 0.322 175.698 175.328 0.080 0.000 0.988 249 H CA -0.169 55.910 56.048 0.051 0.000 1.147 249 H CB -0.235 29.533 29.762 0.010 0.000 1.365 249 H HN 0.339 nan 8.280 nan 0.000 0.589 250 I N 1.837 122.436 120.570 0.049 0.000 2.412 250 I HA 0.221 4.392 4.170 0.001 0.000 0.296 250 I C 0.234 176.257 176.117 -0.157 0.000 0.987 250 I CA -0.768 60.507 61.300 -0.041 0.000 1.180 250 I CB 1.369 39.349 38.000 -0.033 0.000 1.340 250 I HN -0.218 nan 8.210 nan 0.000 0.455 251 R N 5.841 126.177 120.500 -0.273 0.000 2.598 251 R HA 0.646 4.986 4.340 0.001 0.000 0.279 251 R C -0.755 175.551 176.300 0.009 0.000 0.984 251 R CA -0.903 55.075 56.100 -0.204 0.000 0.999 251 R CB 1.602 31.702 30.300 -0.333 0.000 1.114 251 R HN 0.533 nan 8.270 nan 0.000 0.493 252 I N 3.203 123.788 120.570 0.025 0.000 2.339 252 I HA 0.387 4.558 4.170 0.001 0.000 0.290 252 I C 0.176 176.335 176.117 0.070 0.000 0.994 252 I CA -0.346 60.983 61.300 0.049 0.000 1.191 252 I CB 1.183 39.189 38.000 0.011 0.000 1.343 252 I HN 0.290 nan 8.210 nan 0.000 0.458 253 I N 8.287 128.906 120.570 0.081 0.000 2.502 253 I HA 0.313 4.483 4.170 0.001 0.000 0.276 253 I C -2.431 173.703 176.117 0.028 0.000 1.057 253 I CA -1.866 59.464 61.300 0.050 0.000 1.163 253 I CB 1.105 39.124 38.000 0.033 0.000 1.288 253 I HN 0.206 nan 8.210 nan 0.000 0.479 254 P HA 0.149 nan 4.420 nan 0.000 0.271 254 P C -0.939 176.372 177.300 0.019 0.000 1.218 254 P CA -0.301 62.812 63.100 0.023 0.000 0.780 254 P CB 0.606 32.320 31.700 0.024 0.000 0.901 255 K N 2.410 122.807 120.400 -0.006 0.000 2.265 255 K HA 0.421 4.742 4.320 0.001 0.000 0.267 255 K C -0.562 176.025 176.600 -0.023 0.000 0.994 255 K CA -0.671 55.592 56.287 -0.039 0.000 0.860 255 K CB 0.747 33.174 32.500 -0.121 0.000 1.099 255 K HN 0.301 nan 8.250 nan 0.000 0.448 256 I N 3.297 123.875 120.570 0.014 0.000 2.301 256 I HA 0.043 4.213 4.170 0.001 0.000 0.292 256 I C 0.700 176.805 176.117 -0.021 0.000 1.046 256 I CA 0.556 61.876 61.300 0.034 0.000 1.282 256 I CB 0.718 38.772 38.000 0.090 0.000 1.409 256 I HN 0.701 nan 8.210 nan 0.000 0.484 257 E N 3.878 124.066 120.200 -0.019 0.000 2.571 257 E HA 0.132 4.483 4.350 0.001 0.000 0.222 257 E C -0.176 176.456 176.600 0.053 0.000 0.904 257 E CA -0.110 56.271 56.400 -0.032 0.000 1.157 257 E CB 0.544 30.141 29.700 -0.171 0.000 1.158 257 E HN 0.705 nan 8.360 nan 0.000 0.540 258 N N -1.038 117.706 118.700 0.074 0.000 2.902 258 N HA 0.110 4.850 4.740 0.001 0.000 0.268 258 N C 0.663 176.206 175.510 0.054 0.000 1.450 258 N CA -0.609 52.491 53.050 0.084 0.000 0.819 258 N CB 1.067 39.634 38.487 0.132 0.000 1.540 258 N HN -0.241 nan 8.380 nan 0.000 0.545 259 V N 0.794 120.735 119.914 0.045 0.000 2.295 259 V HA -0.220 3.901 4.120 0.001 0.000 0.246 259 V C 2.105 178.222 176.094 0.038 0.000 1.049 259 V CA 2.198 64.516 62.300 0.030 0.000 1.024 259 V CB -0.992 30.843 31.823 0.021 0.000 0.648 259 V HN 0.695 nan 8.190 nan 0.000 0.447 260 E N 0.719 120.946 120.200 0.046 0.000 2.048 260 E HA -0.220 4.131 4.350 0.001 0.000 0.202 260 E C 2.270 178.908 176.600 0.063 0.000 1.021 260 E CA 1.820 58.249 56.400 0.049 0.000 0.825 260 E CB -0.906 28.823 29.700 0.049 0.000 0.756 260 E HN 0.589 nan 8.360 nan 0.000 0.454 261 G N -0.020 108.827 108.800 0.078 0.000 2.443 261 G HA2 -0.204 3.757 3.960 0.001 0.000 0.219 261 G HA3 -0.204 3.757 3.960 0.001 0.000 0.219 261 G C 1.465 176.447 174.900 0.137 0.000 1.131 261 G CA 0.528 45.688 45.100 0.101 0.000 0.775 261 G HN 0.141 nan 8.290 nan 0.000 0.547 262 L N 0.563 121.839 121.223 0.089 0.000 2.072 262 L HA 0.107 4.448 4.340 0.001 0.000 0.205 262 L C 2.905 179.829 176.870 0.090 0.000 1.079 262 L CA 1.150 56.028 54.840 0.064 0.000 0.752 262 L CB -0.408 41.647 42.059 -0.006 0.000 0.906 262 L HN 0.059 nan 8.230 nan 0.000 0.436 263 V N 0.323 120.277 119.914 0.066 0.000 2.343 263 V HA -0.238 3.883 4.120 0.001 0.000 0.247 263 V C 1.463 177.602 176.094 0.076 0.000 1.051 263 V CA 1.801 64.135 62.300 0.057 0.000 1.036 263 V CB -0.683 31.162 31.823 0.036 0.000 0.654 263 V HN 0.535 nan 8.190 nan 0.000 0.451 264 N N -0.735 118.016 118.700 0.085 0.000 2.295 264 N HA 0.086 4.826 4.740 0.001 0.000 0.221 264 N C 1.137 176.694 175.510 0.079 0.000 1.129 264 N CA 0.001 53.090 53.050 0.066 0.000 0.836 264 N CB 0.213 38.724 38.487 0.040 0.000 1.040 264 N HN 0.502 nan 8.380 nan 0.000 0.494 265 F N 2.183 122.129 119.950 -0.005 0.000 2.134 265 F HA -0.164 4.364 4.527 0.001 0.000 0.299 265 F C 1.603 177.398 175.800 -0.008 0.000 1.097 265 F CA 1.490 59.485 58.000 -0.008 0.000 1.264 265 F CB 0.184 39.175 39.000 -0.014 0.000 1.001 265 F HN -0.070 nan 8.300 nan 0.000 0.479 266 D N 0.467 120.826 120.400 -0.069 0.000 2.104 266 D HA -0.235 4.405 4.640 0.001 0.000 0.194 266 D C 2.152 178.333 176.300 -0.198 0.000 0.994 266 D CA 1.935 55.844 54.000 -0.150 0.000 0.830 266 D CB -0.533 40.266 40.800 -0.003 0.000 0.959 266 D HN 0.703 nan 8.370 nan 0.000 0.452 267 E N 0.337 120.464 120.200 -0.121 0.000 2.208 267 E HA -0.073 4.277 4.350 0.001 0.000 0.193 267 E C 2.232 178.755 176.600 -0.129 0.000 0.988 267 E CA 0.476 56.816 56.400 -0.099 0.000 0.828 267 E CB -0.381 29.291 29.700 -0.047 0.000 0.763 267 E HN 0.248 nan 8.360 nan 0.000 0.478 268 I N 0.748 121.216 120.570 -0.170 0.000 2.142 268 I HA -0.226 3.945 4.170 0.001 0.000 0.240 268 I C 2.456 178.422 176.117 -0.252 0.000 1.078 268 I CA 0.713 61.910 61.300 -0.172 0.000 1.343 268 I CB -0.223 37.697 38.000 -0.134 0.000 1.046 268 I HN 0.178 nan 8.210 nan 0.000 0.405 269 L N 1.291 122.228 121.223 -0.477 0.000 2.042 269 L HA -0.196 4.145 4.340 0.001 0.000 0.210 269 L C 2.516 179.249 176.870 -0.229 0.000 1.076 269 L CA 2.184 56.759 54.840 -0.442 0.000 0.749 269 L CB -0.851 40.785 42.059 -0.705 0.000 0.893 269 L HN 0.214 nan 8.230 nan 0.000 0.432 270 A N -1.125 121.581 122.820 -0.191 0.000 1.933 270 A HA -0.155 4.165 4.320 0.001 0.000 0.218 270 A C 2.130 179.664 177.584 -0.083 0.000 1.175 270 A CA 1.692 53.661 52.037 -0.112 0.000 0.628 270 A CB -0.457 18.490 19.000 -0.088 0.000 0.814 270 A HN 0.528 nan 8.150 nan 0.000 0.444 271 E N -0.064 120.085 120.200 -0.084 0.000 2.230 271 E HA 0.212 4.562 4.350 0.001 0.000 0.192 271 E C 1.163 177.731 176.600 -0.054 0.000 0.987 271 E CA 0.709 57.075 56.400 -0.057 0.000 0.841 271 E CB -0.538 29.136 29.700 -0.043 0.000 0.783 271 E HN 0.561 nan 8.360 nan 0.000 0.481 272 A N 1.279 124.058 122.820 -0.069 0.000 2.296 272 A HA 0.115 4.436 4.320 0.001 0.000 0.264 272 A C 0.699 178.261 177.584 -0.037 0.000 1.097 272 A CA -0.151 51.856 52.037 -0.049 0.000 0.811 272 A CB 0.388 19.353 19.000 -0.058 0.000 1.072 272 A HN -0.083 nan 8.150 nan 0.000 0.495 273 D N -0.418 119.975 120.400 -0.013 0.000 2.338 273 D HA 0.262 4.903 4.640 0.001 0.000 0.208 273 D C 0.787 177.102 176.300 0.025 0.000 0.997 273 D CA 1.499 55.500 54.000 0.002 0.000 0.880 273 D CB 0.630 41.433 40.800 0.004 0.000 0.980 273 D HN 0.712 nan 8.370 nan 0.000 0.509 274 G N -0.038 108.777 108.800 0.026 0.000 2.550 274 G HA2 0.503 4.464 3.960 0.001 0.000 0.293 274 G HA3 0.503 4.464 3.960 0.001 0.000 0.293 274 G C -1.738 173.175 174.900 0.022 0.000 1.402 274 G CA -0.502 44.613 45.100 0.024 0.000 0.784 274 G HN -0.090 nan 8.290 nan 0.000 0.482 275 I N 0.530 121.121 120.570 0.036 0.000 2.647 275 I HA 0.502 4.673 4.170 0.001 0.000 0.295 275 I C -0.525 175.614 176.117 0.038 0.000 1.078 275 I CA -0.634 60.708 61.300 0.069 0.000 1.048 275 I CB 2.075 40.187 38.000 0.186 0.000 1.239 275 I HN 0.598 nan 8.210 nan 0.000 0.421 276 M N 6.405 126.021 119.600 0.026 0.000 2.294 276 M HA 0.562 5.043 4.480 0.001 0.000 0.335 276 M C -1.502 174.797 176.300 -0.001 0.000 1.079 276 M CA -0.526 54.772 55.300 -0.004 0.000 0.982 276 M CB 1.701 34.284 32.600 -0.028 0.000 1.651 276 M HN 0.403 nan 8.290 nan 0.000 0.437 277 I N 4.614 125.176 120.570 -0.014 0.000 2.307 277 I HA 0.348 4.519 4.170 0.001 0.000 0.289 277 I C 0.067 176.162 176.117 -0.038 0.000 1.021 277 I CA -0.491 60.791 61.300 -0.029 0.000 1.224 277 I CB 1.570 39.545 38.000 -0.041 0.000 1.376 277 I HN 0.801 nan 8.210 nan 0.000 0.470 278 A N 6.430 129.220 122.820 -0.050 0.000 2.910 278 A HA 0.373 4.694 4.320 0.001 0.000 0.316 278 A C 1.244 178.807 177.584 -0.036 0.000 1.493 278 A CA -0.491 51.514 52.037 -0.053 0.000 1.150 278 A CB -0.195 18.750 19.000 -0.092 0.000 1.159 278 A HN 0.804 nan 8.150 nan 0.000 0.526 279 R N 1.398 121.883 120.500 -0.025 0.000 2.096 279 R HA -0.169 4.172 4.340 0.001 0.000 0.240 279 R C 2.331 178.629 176.300 -0.004 0.000 1.139 279 R CA 2.221 58.312 56.100 -0.014 0.000 0.952 279 R CB -0.424 29.873 30.300 -0.005 0.000 0.854 279 R HN 0.674 nan 8.270 nan 0.000 0.436 280 G N 0.638 109.437 108.800 -0.001 0.000 2.446 280 G HA2 -0.294 3.667 3.960 0.001 0.000 0.217 280 G HA3 -0.294 3.667 3.960 0.001 0.000 0.217 280 G C 0.695 175.605 174.900 0.016 0.000 1.168 280 G CA 1.406 46.512 45.100 0.009 0.000 0.771 280 G HN 0.301 nan 8.290 nan 0.000 0.551 281 D N 0.213 120.620 120.400 0.011 0.000 2.117 281 D HA -0.021 4.620 4.640 0.001 0.000 0.198 281 D C 2.493 178.813 176.300 0.033 0.000 0.982 281 D CA 0.276 54.294 54.000 0.031 0.000 0.828 281 D CB -0.182 40.625 40.800 0.013 0.000 0.967 281 D HN 0.260 nan 8.370 nan 0.000 0.464 282 L N 0.549 121.778 121.223 0.010 0.000 2.042 282 L HA -0.090 4.251 4.340 0.001 0.000 0.210 282 L C 2.379 179.255 176.870 0.010 0.000 1.076 282 L CA 1.342 56.185 54.840 0.006 0.000 0.749 282 L CB -0.609 41.439 42.059 -0.018 0.000 0.893 282 L HN 0.173 nan 8.230 nan 0.000 0.432 283 G N -1.035 107.773 108.800 0.012 0.000 2.708 283 G HA2 -0.171 3.789 3.960 0.001 0.000 0.210 283 G HA3 -0.171 3.789 3.960 0.001 0.000 0.210 283 G C 1.370 176.283 174.900 0.021 0.000 1.141 283 G CA 0.227 45.337 45.100 0.017 0.000 0.788 283 G HN 0.322 nan 8.290 nan 0.000 0.531 284 M N -0.479 119.138 119.600 0.028 0.000 2.333 284 M HA 0.257 4.738 4.480 0.001 0.000 0.257 284 M C 1.375 177.695 176.300 0.033 0.000 1.078 284 M CA 0.243 55.562 55.300 0.032 0.000 1.005 284 M CB 0.739 33.364 32.600 0.042 0.000 1.444 284 M HN 0.028 nan 8.290 nan 0.000 0.496 285 E N 0.603 120.821 120.200 0.030 0.000 2.421 285 E HA 0.299 4.649 4.350 0.001 0.000 0.209 285 E C 0.516 177.125 176.600 0.016 0.000 0.871 285 E CA 0.406 56.823 56.400 0.029 0.000 1.064 285 E CB 1.513 31.237 29.700 0.040 0.000 1.075 285 E HN 0.489 nan 8.360 nan 0.000 0.513 286 I N -1.586 118.989 120.570 0.009 0.000 3.042 286 I HA 0.565 4.736 4.170 0.001 0.000 0.310 286 I C -2.823 173.296 176.117 0.003 0.000 1.117 286 I CA -2.885 58.415 61.300 -0.001 0.000 1.003 286 I CB 2.068 40.059 38.000 -0.016 0.000 1.228 286 I HN -0.350 nan 8.210 nan 0.000 0.443 287 P HA 0.155 nan 4.420 nan 0.000 0.266 287 P C -2.098 175.214 177.300 0.021 0.000 1.195 287 P CA -0.914 62.193 63.100 0.012 0.000 0.768 287 P CB -0.019 31.687 31.700 0.011 0.000 0.838 288 P HA -0.144 nan 4.420 nan 0.000 0.219 288 P C 1.098 178.453 177.300 0.091 0.000 1.150 288 P CA 1.588 64.716 63.100 0.048 0.000 0.814 288 P CB -0.354 31.369 31.700 0.038 0.000 0.787 289 E N 0.812 121.069 120.200 0.096 0.000 2.516 289 E HA -0.098 4.253 4.350 0.001 0.000 0.199 289 E C 1.655 178.390 176.600 0.224 0.000 1.069 289 E CA 0.919 57.420 56.400 0.170 0.000 0.876 289 E CB -0.905 28.864 29.700 0.115 0.000 0.843 289 E HN 0.415 nan 8.360 nan 0.000 0.530 290 K N -1.250 119.194 120.400 0.074 0.000 2.481 290 K HA 0.221 4.542 4.320 0.001 0.000 0.210 290 K C 1.663 178.153 176.600 -0.184 0.000 1.161 290 K CA 0.331 56.550 56.287 -0.114 0.000 1.023 290 K CB 1.273 33.720 32.500 -0.090 0.000 0.971 290 K HN 0.167 nan 8.250 nan 0.000 0.577 291 V N 1.758 121.649 119.914 -0.039 0.000 2.515 291 V HA -0.230 3.891 4.120 0.001 0.000 0.250 291 V C 1.976 178.036 176.094 -0.057 0.000 1.058 291 V CA 1.776 64.051 62.300 -0.043 0.000 1.064 291 V CB -0.598 31.234 31.823 0.016 0.000 0.675 291 V HN 0.355 nan 8.190 nan 0.000 0.461 292 F N -0.188 119.738 119.950 -0.039 0.000 2.171 292 F HA -0.087 4.440 4.527 0.001 0.000 0.300 292 F C 1.964 177.735 175.800 -0.048 0.000 1.090 292 F CA 1.377 59.353 58.000 -0.041 0.000 1.293 292 F CB -0.893 38.088 39.000 -0.033 0.000 1.013 292 F HN 0.053 nan 8.300 nan 0.000 0.486 293 L N 0.889 121.412 121.223 -1.166 0.000 1.994 293 L HA -0.153 4.187 4.340 0.001 0.000 0.208 293 L C 3.063 179.705 176.870 -0.381 0.000 1.071 293 L CA 1.345 55.704 54.840 -0.802 0.000 0.745 293 L CB -1.109 40.487 42.059 -0.772 0.000 0.892 293 L HN 0.365 nan 8.230 nan 0.000 0.431 294 A N -0.665 121.967 122.820 -0.313 0.000 1.908 294 A HA -0.318 4.003 4.320 0.001 0.000 0.218 294 A C 2.234 179.680 177.584 -0.231 0.000 1.181 294 A CA 2.105 53.996 52.037 -0.242 0.000 0.627 294 A CB -0.685 18.198 19.000 -0.195 0.000 0.818 294 A HN 0.538 nan 8.150 nan 0.000 0.445 295 Q N -0.373 119.325 119.800 -0.169 0.000 2.050 295 Q HA -0.218 4.123 4.340 0.001 0.000 0.202 295 Q C 2.076 178.010 176.000 -0.110 0.000 0.980 295 Q CA 1.917 57.648 55.803 -0.120 0.000 0.840 295 Q CB -0.152 28.559 28.738 -0.045 0.000 0.898 295 Q HN 0.682 nan 8.270 nan 0.000 0.424 296 K N 0.175 120.520 120.400 -0.091 0.000 2.032 296 K HA -0.183 4.138 4.320 0.001 0.000 0.209 296 K C 2.220 178.765 176.600 -0.092 0.000 1.048 296 K CA 1.751 58.000 56.287 -0.063 0.000 0.927 296 K CB -0.256 32.223 32.500 -0.036 0.000 0.712 296 K HN 0.339 nan 8.250 nan 0.000 0.441 297 M N 0.486 120.001 119.600 -0.141 0.000 2.065 297 M HA -0.249 4.232 4.480 0.001 0.000 0.259 297 M C 2.087 178.284 176.300 -0.172 0.000 1.069 297 M CA 1.766 56.980 55.300 -0.144 0.000 1.110 297 M CB -0.053 32.441 32.600 -0.177 0.000 1.328 297 M HN 0.184 nan 8.290 nan 0.000 0.405 298 M N -0.052 119.359 119.600 -0.314 0.000 2.132 298 M HA -0.184 4.297 4.480 0.001 0.000 0.263 298 M C 2.095 178.340 176.300 -0.091 0.000 1.065 298 M CA 1.569 56.588 55.300 -0.468 0.000 1.122 298 M CB -0.481 31.682 32.600 -0.729 0.000 1.365 298 M HN 0.359 nan 8.290 nan 0.000 0.411 299 I N 0.147 120.675 120.570 -0.070 0.000 2.179 299 I HA -0.270 3.900 4.170 0.001 0.000 0.242 299 I C 2.689 178.815 176.117 0.014 0.000 1.088 299 I CA 1.312 62.608 61.300 -0.006 0.000 1.357 299 I CB -0.522 37.468 38.000 -0.016 0.000 1.051 299 I HN 0.253 nan 8.210 nan 0.000 0.409 300 A N 0.636 123.455 122.820 -0.002 0.000 1.933 300 A HA -0.215 4.106 4.320 0.001 0.000 0.218 300 A C 2.307 179.908 177.584 0.029 0.000 1.175 300 A CA 1.583 53.623 52.037 0.005 0.000 0.628 300 A CB -0.407 18.588 19.000 -0.008 0.000 0.814 300 A HN 0.324 nan 8.150 nan 0.000 0.444 301 K N -0.876 119.567 120.400 0.073 0.000 2.097 301 K HA -0.105 4.216 4.320 0.001 0.000 0.205 301 K C 2.065 178.735 176.600 0.117 0.000 1.050 301 K CA 1.305 57.669 56.287 0.128 0.000 0.938 301 K CB -0.416 32.258 32.500 0.289 0.000 0.718 301 K HN 0.561 nan 8.250 nan 0.000 0.442 302 C N 1.091 120.478 119.300 0.145 0.000 2.432 302 C HA -0.079 4.382 4.460 0.001 0.000 0.277 302 C C 2.264 177.273 174.990 0.032 0.000 1.249 302 C CA 0.772 59.846 59.018 0.093 0.000 1.725 302 C CB -1.205 26.605 27.740 0.115 0.000 2.028 302 C HN 0.544 nan 8.230 nan 0.000 0.477 303 N N 0.289 119.000 118.700 0.019 0.000 2.069 303 N HA -0.162 4.579 4.740 0.001 0.000 0.191 303 N C 1.566 177.044 175.510 -0.054 0.000 1.031 303 N CA 1.198 54.238 53.050 -0.017 0.000 0.852 303 N CB -0.234 38.243 38.487 -0.017 0.000 1.018 303 N HN 0.325 nan 8.380 nan 0.000 0.423 304 V N 0.537 120.427 119.914 -0.041 0.000 2.913 304 V HA -0.062 4.059 4.120 0.001 0.000 0.260 304 V C 1.429 177.484 176.094 -0.065 0.000 1.098 304 V CA 1.144 63.406 62.300 -0.064 0.000 1.121 304 V CB 0.165 31.968 31.823 -0.033 0.000 0.714 304 V HN 0.153 nan 8.190 nan 0.000 0.487 305 V N -0.319 119.569 119.914 -0.043 0.000 3.477 305 V HA 0.451 4.572 4.120 0.001 0.000 0.297 305 V C 1.511 177.585 176.094 -0.033 0.000 1.433 305 V CA 0.983 63.263 62.300 -0.034 0.000 1.052 305 V CB 0.274 32.083 31.823 -0.023 0.000 0.895 305 V HN 0.705 nan 8.190 nan 0.000 0.438 306 G N 1.317 110.091 108.800 -0.043 0.000 2.153 306 G HA2 -0.290 3.671 3.960 0.001 0.000 0.252 306 G HA3 -0.290 3.671 3.960 0.001 0.000 0.252 306 G C 0.191 175.090 174.900 -0.003 0.000 0.994 306 G CA 0.612 45.693 45.100 -0.032 0.000 0.698 306 G HN 0.524 nan 8.290 nan 0.000 0.521 307 K N 1.534 121.935 120.400 0.001 0.000 2.201 307 K HA 0.413 4.734 4.320 0.001 0.000 0.278 307 K C -2.156 174.457 176.600 0.023 0.000 1.027 307 K CA -1.880 54.415 56.287 0.013 0.000 0.909 307 K CB 1.573 34.075 32.500 0.002 0.000 1.062 307 K HN 0.052 nan 8.250 nan 0.000 0.465 308 P HA -0.077 nan 4.420 nan 0.000 0.265 308 P C -0.669 176.639 177.300 0.014 0.000 1.193 308 P CA -0.070 63.041 63.100 0.018 0.000 0.765 308 P CB 0.789 32.496 31.700 0.011 0.000 0.823 309 V N 5.239 125.162 119.914 0.014 0.000 2.604 309 V HA 0.478 4.599 4.120 0.001 0.000 0.305 309 V C -0.364 175.728 176.094 -0.004 0.000 1.043 309 V CA -1.050 61.261 62.300 0.019 0.000 0.888 309 V CB 1.407 33.254 31.823 0.041 0.000 0.995 309 V HN 0.295 nan 8.190 nan 0.000 0.429 310 I N 5.185 125.746 120.570 -0.014 0.000 2.378 310 I HA 0.404 4.575 4.170 0.001 0.000 0.291 310 I C 0.005 176.113 176.117 -0.015 0.000 0.992 310 I CA -0.312 60.973 61.300 -0.025 0.000 1.154 310 I CB 2.079 40.047 38.000 -0.053 0.000 1.315 310 I HN 0.463 nan 8.210 nan 0.000 0.448 311 T N 5.773 120.321 114.554 -0.009 0.000 2.733 311 T HA 0.662 5.013 4.350 0.001 0.000 0.294 311 T C -0.043 174.651 174.700 -0.010 0.000 0.956 311 T CA -0.427 61.667 62.100 -0.009 0.000 0.987 311 T CB 0.998 69.864 68.868 -0.003 0.000 0.920 311 T HN 0.697 nan 8.240 nan 0.000 0.470 312 A N 3.316 126.127 122.820 -0.015 0.000 2.423 312 A HA 0.976 5.297 4.320 0.001 0.000 0.304 312 A C 0.291 177.867 177.584 -0.013 0.000 1.104 312 A CA -0.481 51.548 52.037 -0.014 0.000 0.757 312 A CB 0.999 19.985 19.000 -0.022 0.000 1.313 312 A HN 1.598 nan 8.150 nan 0.000 0.423 313 T N -0.975 113.574 114.554 -0.007 0.000 0.541 313 T HA -0.154 4.197 4.350 0.001 0.000 0.774 313 T C -0.031 174.668 174.700 -0.001 0.000 0.992 313 T CA 0.959 63.057 62.100 -0.003 0.000 4.077 313 T CB -1.708 67.156 68.868 -0.006 0.000 2.303 313 T HN 2.240 nan 8.240 nan 0.000 0.398 314 Q N 1.045 120.845 119.800 0.001 0.000 2.451 314 Q HA -0.238 4.103 4.340 0.001 0.000 0.305 314 Q C 0.974 176.972 176.000 -0.004 0.000 1.345 314 Q CA 1.245 57.048 55.803 0.000 0.000 0.854 314 Q CB -0.967 27.772 28.738 0.002 0.000 1.162 314 Q HN 0.698 nan 8.270 nan 0.000 0.440 315 M N -0.729 118.868 119.600 -0.005 0.000 2.329 315 M HA 0.124 4.605 4.480 0.001 0.000 0.244 315 M C 1.143 177.434 176.300 -0.014 0.000 1.156 315 M CA 1.267 56.562 55.300 -0.008 0.000 1.192 315 M CB -0.031 32.566 32.600 -0.006 0.000 1.241 315 M HN 0.321 nan 8.290 nan 0.000 0.465 316 L N 0.362 121.576 121.223 -0.014 0.000 2.960 316 L HA 0.246 4.587 4.340 0.001 0.000 0.274 316 L C 1.068 177.929 176.870 -0.014 0.000 1.327 316 L CA -0.206 54.621 54.840 -0.021 0.000 0.860 316 L CB 0.476 42.517 42.059 -0.030 0.000 1.239 316 L HN 0.310 nan 8.230 nan 0.000 0.551 317 E N 0.572 120.766 120.200 -0.010 0.000 2.110 317 E HA -0.202 4.148 4.350 0.001 0.000 0.193 317 E C 2.098 178.697 176.600 -0.002 0.000 0.988 317 E CA 1.665 58.063 56.400 -0.003 0.000 0.804 317 E CB 0.188 29.887 29.700 -0.002 0.000 0.745 317 E HN 0.626 nan 8.360 nan 0.000 0.458 318 S N 0.418 116.112 115.700 -0.010 0.000 2.474 318 S HA -0.095 4.375 4.470 0.001 0.000 0.235 318 S C 1.844 176.440 174.600 -0.007 0.000 0.997 318 S CA 0.670 58.863 58.200 -0.011 0.000 0.949 318 S CB -0.163 63.023 63.200 -0.023 0.000 0.766 318 S HN 0.181 nan 8.310 nan 0.000 0.517 319 M N 0.611 120.205 119.600 -0.009 0.000 2.659 319 M HA 0.214 4.695 4.480 0.001 0.000 0.243 319 M C 1.397 177.747 176.300 0.084 0.000 1.111 319 M CA 0.464 55.766 55.300 0.004 0.000 1.070 319 M CB -0.540 32.047 32.600 -0.021 0.000 1.525 319 M HN 0.362 nan 8.290 nan 0.000 0.517 320 I N 0.457 121.063 120.570 0.061 0.000 2.286 320 I HA -0.307 3.864 4.170 0.001 0.000 0.248 320 I C 1.974 178.160 176.117 0.115 0.000 1.115 320 I CA 1.546 62.885 61.300 0.066 0.000 1.392 320 I CB -0.124 37.889 38.000 0.022 0.000 1.065 320 I HN 0.313 nan 8.210 nan 0.000 0.418 321 K N -0.648 119.824 120.400 0.121 0.000 2.399 321 K HA 0.186 4.507 4.320 0.001 0.000 0.196 321 K C 0.270 177.016 176.600 0.244 0.000 1.117 321 K CA 0.080 56.463 56.287 0.161 0.000 0.965 321 K CB 0.347 32.893 32.500 0.077 0.000 0.983 321 K HN 0.210 nan 8.250 nan 0.000 0.531 322 N N 2.381 121.129 118.700 0.079 0.000 2.399 322 N HA 0.141 4.882 4.740 0.001 0.000 0.295 322 N C -2.329 172.894 175.510 -0.478 0.000 1.048 322 N CA -1.454 51.517 53.050 -0.133 0.000 0.886 322 N CB 1.680 40.103 38.487 -0.108 0.000 1.185 322 N HN -0.121 nan 8.380 nan 0.000 0.487 323 P HA -0.006 nan 4.420 nan 0.000 0.242 323 P C 0.024 177.042 177.300 -0.471 0.000 1.197 323 P CA 0.835 63.274 63.100 -1.102 0.000 0.765 323 P CB 0.269 31.282 31.700 -1.143 0.000 0.936 324 R N 0.564 120.873 120.500 -0.318 0.000 2.651 324 R HA 0.623 4.964 4.340 0.001 0.000 0.278 324 R C -3.107 173.107 176.300 -0.145 0.000 1.010 324 R CA -1.806 54.173 56.100 -0.201 0.000 0.896 324 R CB -0.068 30.130 30.300 -0.170 0.000 1.211 324 R HN -0.024 nan 8.270 nan 0.000 0.456 325 P HA 0.384 nan 4.420 nan 0.000 0.293 325 P C -0.214 177.042 177.300 -0.074 0.000 1.304 325 P CA 0.014 63.063 63.100 -0.086 0.000 0.767 325 P CB 0.943 32.595 31.700 -0.080 0.000 1.247 326 T N -3.351 111.168 114.554 -0.058 0.000 2.927 326 T HA 0.282 4.632 4.350 0.001 0.000 0.281 326 T C 1.335 176.006 174.700 -0.049 0.000 0.998 326 T CA -0.750 61.319 62.100 -0.050 0.000 1.019 326 T CB 1.039 69.882 68.868 -0.041 0.000 1.061 326 T HN 0.241 nan 8.240 nan 0.000 0.518 327 R N 0.664 121.137 120.500 -0.044 0.000 2.096 327 R HA -0.141 4.199 4.340 0.001 0.000 0.240 327 R C 2.429 178.706 176.300 -0.039 0.000 1.139 327 R CA 2.060 58.135 56.100 -0.042 0.000 0.952 327 R CB -1.417 28.860 30.300 -0.037 0.000 0.854 327 R HN 0.880 nan 8.270 nan 0.000 0.436 328 A N 0.806 123.604 122.820 -0.037 0.000 1.877 328 A HA -0.179 4.141 4.320 0.001 0.000 0.216 328 A C 2.098 179.661 177.584 -0.034 0.000 1.186 328 A CA 1.668 53.684 52.037 -0.035 0.000 0.620 328 A CB -0.425 18.556 19.000 -0.032 0.000 0.822 328 A HN 0.498 nan 8.150 nan 0.000 0.443 329 E N -0.368 119.811 120.200 -0.034 0.000 2.031 329 E HA -0.087 4.263 4.350 0.001 0.000 0.193 329 E C 2.391 178.970 176.600 -0.036 0.000 0.994 329 E CA 0.940 57.320 56.400 -0.033 0.000 0.800 329 E CB -0.316 29.363 29.700 -0.035 0.000 0.752 329 E HN 0.596 nan 8.360 nan 0.000 0.447 330 A N 1.525 124.319 122.820 -0.043 0.000 1.892 330 A HA -0.215 4.105 4.320 0.001 0.000 0.218 330 A C 2.400 179.962 177.584 -0.038 0.000 1.188 330 A CA 2.011 54.021 52.037 -0.045 0.000 0.631 330 A CB -0.817 18.151 19.000 -0.053 0.000 0.822 330 A HN 0.316 nan 8.150 nan 0.000 0.447 331 A N -0.408 122.390 122.820 -0.037 0.000 1.933 331 A HA -0.188 4.132 4.320 0.001 0.000 0.218 331 A C 1.827 179.392 177.584 -0.031 0.000 1.175 331 A CA 2.166 54.182 52.037 -0.035 0.000 0.628 331 A CB -0.726 18.252 19.000 -0.038 0.000 0.814 331 A HN 0.588 nan 8.150 nan 0.000 0.444 332 D N -0.634 119.748 120.400 -0.029 0.000 2.117 332 D HA -0.121 4.520 4.640 0.001 0.000 0.197 332 D C 1.796 178.087 176.300 -0.015 0.000 0.987 332 D CA 1.541 55.529 54.000 -0.021 0.000 0.829 332 D CB -0.029 40.760 40.800 -0.018 0.000 0.961 332 D HN 0.146 nan 8.370 nan 0.000 0.460 333 V N 0.752 120.656 119.914 -0.018 0.000 2.343 333 V HA -0.224 3.897 4.120 0.001 0.000 0.247 333 V C 2.554 178.641 176.094 -0.011 0.000 1.051 333 V CA 1.758 64.050 62.300 -0.014 0.000 1.036 333 V CB -0.985 30.826 31.823 -0.021 0.000 0.654 333 V HN 0.336 nan 8.190 nan 0.000 0.451 334 A N 0.261 123.070 122.820 -0.017 0.000 1.908 334 A HA -0.238 4.083 4.320 0.001 0.000 0.218 334 A C 2.076 179.651 177.584 -0.015 0.000 1.181 334 A CA 2.023 54.050 52.037 -0.017 0.000 0.627 334 A CB -0.644 18.342 19.000 -0.024 0.000 0.818 334 A HN 0.597 nan 8.150 nan 0.000 0.445 335 N N 0.006 118.697 118.700 -0.015 0.000 2.396 335 N HA -0.022 4.719 4.740 0.001 0.000 0.180 335 N C 1.819 177.329 175.510 0.001 0.000 1.028 335 N CA 1.077 54.121 53.050 -0.010 0.000 0.893 335 N CB -0.246 38.233 38.487 -0.013 0.000 0.967 335 N HN 0.497 nan 8.380 nan 0.000 0.440 336 A N 0.687 123.508 122.820 0.002 0.000 1.898 336 A HA -0.051 4.270 4.320 0.001 0.000 0.216 336 A C 2.459 180.047 177.584 0.008 0.000 1.181 336 A CA 0.987 53.028 52.037 0.006 0.000 0.620 336 A CB -0.575 18.429 19.000 0.006 0.000 0.819 336 A HN 0.076 nan 8.150 nan 0.000 0.442 337 V N 0.020 119.939 119.914 0.008 0.000 2.358 337 V HA -0.234 3.887 4.120 0.001 0.000 0.246 337 V C 2.497 178.591 176.094 -0.001 0.000 1.047 337 V CA 1.943 64.251 62.300 0.013 0.000 1.035 337 V CB -0.760 31.075 31.823 0.020 0.000 0.658 337 V HN 0.553 nan 8.190 nan 0.000 0.452 338 L N -0.321 120.895 121.223 -0.012 0.000 2.217 338 L HA -0.116 4.225 4.340 0.001 0.000 0.211 338 L C 2.171 179.033 176.870 -0.014 0.000 1.107 338 L CA 1.078 55.904 54.840 -0.024 0.000 0.783 338 L CB -0.636 41.405 42.059 -0.030 0.000 0.919 338 L HN 0.288 nan 8.230 nan 0.000 0.442 339 D N 0.325 120.724 120.400 -0.002 0.000 2.218 339 D HA -0.076 4.565 4.640 0.001 0.000 0.204 339 D C 1.690 177.990 176.300 -0.000 0.000 0.976 339 D CA 1.518 55.519 54.000 0.002 0.000 0.853 339 D CB 0.099 40.902 40.800 0.007 0.000 0.939 339 D HN 0.396 nan 8.370 nan 0.000 0.481 340 G N -0.555 108.247 108.800 0.003 0.000 2.151 340 G HA2 -0.199 3.762 3.960 0.001 0.000 0.140 340 G HA3 -0.199 3.762 3.960 0.001 0.000 0.140 340 G C 0.442 175.352 174.900 0.017 0.000 1.020 340 G CA 0.137 45.242 45.100 0.009 0.000 0.688 340 G HN 0.332 nan 8.290 nan 0.000 0.500 341 T N 0.120 114.684 114.554 0.017 0.000 2.946 341 T HA 0.328 4.678 4.350 0.001 0.000 0.311 341 T C 1.510 176.228 174.700 0.030 0.000 1.063 341 T CA 1.295 63.407 62.100 0.020 0.000 1.139 341 T CB 0.389 69.267 68.868 0.016 0.000 0.994 341 T HN 0.241 nan 8.240 nan 0.000 0.547 342 D N 1.622 122.037 120.400 0.026 0.000 2.149 342 D HA 0.122 4.762 4.640 0.001 0.000 0.206 342 D C 0.339 176.660 176.300 0.035 0.000 0.967 342 D CA 0.755 54.774 54.000 0.032 0.000 0.848 342 D CB 0.270 41.083 40.800 0.021 0.000 0.998 342 D HN 0.457 nan 8.370 nan 0.000 0.474 343 C N 0.375 119.686 119.300 0.019 0.000 2.614 343 C HA 0.728 5.189 4.460 0.001 0.000 0.320 343 C C -0.279 174.724 174.990 0.021 0.000 1.200 343 C CA -1.172 57.858 59.018 0.020 0.000 1.700 343 C CB 1.521 29.251 27.740 -0.016 0.000 2.275 343 C HN 0.138 nan 8.230 nan 0.000 0.492 344 V N 0.772 120.707 119.914 0.034 0.000 2.628 344 V HA 0.741 4.861 4.120 0.001 0.000 0.306 344 V C -0.633 175.474 176.094 0.022 0.000 1.045 344 V CA -0.636 61.679 62.300 0.025 0.000 0.905 344 V CB 1.670 33.512 31.823 0.031 0.000 0.997 344 V HN 0.983 nan 8.190 nan 0.000 0.436 345 M N 4.851 124.458 119.600 0.011 0.000 2.253 345 M HA 0.627 5.108 4.480 0.001 0.000 0.314 345 M C -1.781 174.526 176.300 0.012 0.000 1.019 345 M CA -0.649 54.658 55.300 0.011 0.000 0.932 345 M CB 1.779 34.379 32.600 0.000 0.000 1.606 345 M HN 0.764 nan 8.290 nan 0.000 0.430 346 L N 3.329 124.563 121.223 0.019 0.000 2.312 346 L HA 0.461 4.802 4.340 0.001 0.000 0.281 346 L C 0.299 177.182 176.870 0.021 0.000 1.070 346 L CA -0.258 54.592 54.840 0.017 0.000 0.805 346 L CB 1.716 43.787 42.059 0.020 0.000 1.174 346 L HN 0.822 nan 8.230 nan 0.000 0.434 347 S N 1.251 116.961 115.700 0.016 0.000 3.096 347 S HA 0.158 4.628 4.470 0.001 0.000 0.169 347 S C 1.587 176.193 174.600 0.011 0.000 0.736 347 S CA 0.328 58.541 58.200 0.021 0.000 0.976 347 S CB -0.218 62.996 63.200 0.023 0.000 0.705 347 S HN 0.868 nan 8.310 nan 0.000 0.666 348 G N 1.083 109.887 108.800 0.005 0.000 2.470 348 G HA2 -0.151 3.810 3.960 0.001 0.000 0.220 348 G HA3 -0.151 3.810 3.960 0.001 0.000 0.220 348 G C 0.974 175.863 174.900 -0.019 0.000 1.121 348 G CA 0.897 45.989 45.100 -0.014 0.000 0.766 348 G HN 0.516 nan 8.290 nan 0.000 0.553 349 E N 0.168 120.366 120.200 -0.003 0.000 2.160 349 E HA -0.102 4.249 4.350 0.001 0.000 0.195 349 E C 2.729 179.331 176.600 0.003 0.000 0.991 349 E CA 1.789 58.194 56.400 0.008 0.000 0.810 349 E CB -0.173 29.535 29.700 0.013 0.000 0.742 349 E HN 0.614 nan 8.360 nan 0.000 0.466 350 T N -3.053 111.496 114.554 -0.008 0.000 3.018 350 T HA 0.354 4.704 4.350 0.001 0.000 0.246 350 T C 2.001 176.660 174.700 -0.068 0.000 1.026 350 T CA 0.257 62.346 62.100 -0.018 0.000 1.081 350 T CB 0.032 68.904 68.868 0.008 0.000 0.970 350 T HN 0.123 nan 8.240 nan 0.000 0.475 351 A N 2.675 125.448 122.820 -0.077 0.000 1.897 351 A HA 0.119 4.440 4.320 0.001 0.000 0.215 351 A C 1.775 179.227 177.584 -0.220 0.000 1.181 351 A CA 1.445 53.393 52.037 -0.148 0.000 0.620 351 A CB -0.534 18.412 19.000 -0.090 0.000 0.821 351 A HN 0.654 nan 8.150 nan 0.000 0.443 352 N N -1.654 116.954 118.700 -0.154 0.000 2.143 352 N HA 0.287 5.028 4.740 0.001 0.000 0.229 352 N C 0.539 175.980 175.510 -0.116 0.000 1.294 352 N CA 0.266 53.220 53.050 -0.161 0.000 0.883 352 N CB 0.925 39.327 38.487 -0.141 0.000 1.148 352 N HN 0.399 nan 8.380 nan 0.000 0.511 353 G N 0.386 109.134 108.800 -0.087 0.000 2.562 353 G HA2 0.114 4.075 3.960 0.001 0.000 0.275 353 G HA3 0.114 4.075 3.960 0.001 0.000 0.275 353 G C 0.381 175.222 174.900 -0.100 0.000 1.196 353 G CA -0.283 44.788 45.100 -0.048 0.000 0.908 353 G HN 0.153 nan 8.290 nan 0.000 0.524 354 E N -0.826 119.308 120.200 -0.110 0.000 2.400 354 E HA 0.082 4.433 4.350 0.001 0.000 0.195 354 E C -0.372 175.818 176.600 -0.683 0.000 1.012 354 E CA 0.493 56.654 56.400 -0.399 0.000 0.875 354 E CB 0.267 29.673 29.700 -0.490 0.000 0.859 354 E HN 0.406 nan 8.360 nan 0.000 0.498 355 F N 0.577 120.506 119.950 -0.036 0.000 2.564 355 F HA 0.241 4.769 4.527 0.001 0.000 0.329 355 F C -1.877 173.906 175.800 -0.028 0.000 1.458 355 F CA -1.930 56.052 58.000 -0.029 0.000 1.117 355 F CB 1.228 40.210 39.000 -0.031 0.000 1.383 355 F HN -0.088 nan 8.300 nan 0.000 0.571 356 P HA -0.145 nan 4.420 nan 0.000 0.216 356 P C 1.711 179.050 177.300 0.064 0.000 1.153 356 P CA 1.283 64.410 63.100 0.044 0.000 0.848 356 P CB 0.459 32.160 31.700 0.001 0.000 0.787 357 V N 0.439 120.397 119.914 0.073 0.000 2.270 357 V HA -0.200 3.921 4.120 0.001 0.000 0.245 357 V C 2.950 179.090 176.094 0.077 0.000 1.043 357 V CA 1.810 64.157 62.300 0.079 0.000 1.014 357 V CB -1.474 30.397 31.823 0.080 0.000 0.645 357 V HN -0.033 nan 8.190 nan 0.000 0.447 358 I N 0.239 120.868 120.570 0.098 0.000 2.264 358 I HA -0.248 3.923 4.170 0.001 0.000 0.248 358 I C 2.605 178.715 176.117 -0.011 0.000 1.111 358 I CA 2.007 63.333 61.300 0.044 0.000 1.382 358 I CB -1.806 36.230 38.000 0.060 0.000 1.060 358 I HN 0.582 nan 8.210 nan 0.000 0.418 359 T N 0.232 114.803 114.554 0.028 0.000 2.746 359 T HA -0.146 4.204 4.350 0.001 0.000 0.267 359 T C 2.077 176.763 174.700 -0.023 0.000 1.039 359 T CA 1.582 63.679 62.100 -0.005 0.000 1.142 359 T CB -0.400 68.485 68.868 0.027 0.000 0.866 359 T HN 0.380 nan 8.240 nan 0.000 0.444 360 V N 2.652 122.572 119.914 0.010 0.000 2.295 360 V HA -0.222 3.899 4.120 0.001 0.000 0.246 360 V C 2.671 178.757 176.094 -0.013 0.000 1.049 360 V CA 2.169 64.483 62.300 0.023 0.000 1.024 360 V CB -0.872 30.993 31.823 0.070 0.000 0.648 360 V HN 0.715 nan 8.190 nan 0.000 0.447 361 E N 0.095 120.277 120.200 -0.030 0.000 2.150 361 E HA -0.195 4.156 4.350 0.001 0.000 0.193 361 E C 1.996 178.336 176.600 -0.433 0.000 0.985 361 E CA 1.748 58.043 56.400 -0.175 0.000 0.814 361 E CB -0.681 28.953 29.700 -0.110 0.000 0.752 361 E HN 0.544 nan 8.360 nan 0.000 0.466 362 T N 1.185 115.568 114.554 -0.284 0.000 2.708 362 T HA -0.184 4.167 4.350 0.001 0.000 0.266 362 T C 1.718 176.278 174.700 -0.234 0.000 1.037 362 T CA 1.655 63.588 62.100 -0.279 0.000 1.146 362 T CB -0.254 68.503 68.868 -0.185 0.000 0.865 362 T HN 0.123 nan 8.240 nan 0.000 0.435 363 M N 1.983 121.488 119.600 -0.159 0.000 2.082 363 M HA -0.038 4.442 4.480 0.001 0.000 0.258 363 M C 2.323 178.507 176.300 -0.193 0.000 1.069 363 M CA 1.694 56.920 55.300 -0.124 0.000 1.102 363 M CB -0.850 31.714 32.600 -0.060 0.000 1.336 363 M HN 0.227 nan 8.290 nan 0.000 0.404 364 A N -0.117 122.539 122.820 -0.273 0.000 1.908 364 A HA -0.202 4.119 4.320 0.001 0.000 0.218 364 A C 2.292 179.697 177.584 -0.298 0.000 1.181 364 A CA 1.992 53.723 52.037 -0.510 0.000 0.627 364 A CB -0.689 18.201 19.000 -0.183 0.000 0.818 364 A HN 0.612 nan 8.150 nan 0.000 0.445 365 R N -0.508 119.785 120.500 -0.344 0.000 2.092 365 R HA -0.062 4.279 4.340 0.001 0.000 0.231 365 R C 1.991 178.245 176.300 -0.077 0.000 1.119 365 R CA 1.390 57.331 56.100 -0.266 0.000 0.970 365 R CB -0.398 29.599 30.300 -0.505 0.000 0.864 365 R HN 0.518 nan 8.270 nan 0.000 0.440 366 I N 0.412 120.916 120.570 -0.110 0.000 2.179 366 I HA -0.308 3.863 4.170 0.001 0.000 0.242 366 I C 2.489 178.604 176.117 -0.003 0.000 1.088 366 I CA 1.168 62.437 61.300 -0.052 0.000 1.357 366 I CB -1.227 36.735 38.000 -0.063 0.000 1.051 366 I HN 0.233 nan 8.210 nan 0.000 0.409 367 C N 0.250 119.544 119.300 -0.010 0.000 2.413 367 C HA -0.244 4.216 4.460 0.001 0.000 0.276 367 C C 2.901 177.970 174.990 0.132 0.000 1.248 367 C CA 0.762 59.815 59.018 0.058 0.000 1.742 367 C CB -1.301 26.484 27.740 0.074 0.000 2.017 367 C HN 0.521 nan 8.230 nan 0.000 0.481 368 Y N 1.872 122.210 120.300 0.064 0.000 2.181 368 Y HA -0.161 4.389 4.550 0.001 0.000 0.288 368 Y C 2.491 178.443 175.900 0.086 0.000 1.146 368 Y CA 1.777 59.958 58.100 0.135 0.000 1.164 368 Y CB -0.226 38.352 38.460 0.198 0.000 0.982 368 Y HN 0.303 nan 8.280 nan 0.000 0.515 369 E N 0.100 120.375 120.200 0.125 0.000 2.150 369 E HA -0.148 4.203 4.350 0.001 0.000 0.193 369 E C 2.315 178.887 176.600 -0.046 0.000 0.985 369 E CA 1.014 57.431 56.400 0.029 0.000 0.814 369 E CB -0.495 29.239 29.700 0.056 0.000 0.752 369 E HN 0.590 nan 8.360 nan 0.000 0.466 370 A N 1.192 123.994 122.820 -0.030 0.000 1.930 370 A HA -0.129 4.192 4.320 0.001 0.000 0.215 370 A C 1.941 179.481 177.584 -0.074 0.000 1.176 370 A CA 1.028 53.040 52.037 -0.042 0.000 0.632 370 A CB -0.320 18.669 19.000 -0.018 0.000 0.819 370 A HN 0.135 nan 8.150 nan 0.000 0.445 371 E N -0.553 119.600 120.200 -0.078 0.000 2.338 371 E HA -0.082 4.268 4.350 0.001 0.000 0.197 371 E C 1.718 178.216 176.600 -0.170 0.000 1.007 371 E CA 1.139 57.480 56.400 -0.097 0.000 0.849 371 E CB -0.185 29.510 29.700 -0.008 0.000 0.774 371 E HN 0.577 nan 8.360 nan 0.000 0.506 372 T N -0.124 114.308 114.554 -0.203 0.000 2.746 372 T HA -0.166 4.185 4.350 0.001 0.000 0.267 372 T C 1.821 176.442 174.700 -0.132 0.000 1.039 372 T CA 0.960 62.954 62.100 -0.177 0.000 1.142 372 T CB -0.230 68.543 68.868 -0.159 0.000 0.866 372 T HN 0.351 nan 8.240 nan 0.000 0.444 373 C N 1.494 120.720 119.300 -0.123 0.000 2.500 373 C HA 0.237 4.698 4.460 0.001 0.000 0.273 373 C C 1.201 176.100 174.990 -0.151 0.000 1.428 373 C CA -0.786 58.167 59.018 -0.108 0.000 1.766 373 C CB -0.996 26.696 27.740 -0.080 0.000 1.817 373 C HN 0.248 nan 8.230 nan 0.000 0.543 374 V N 2.571 122.341 119.914 -0.240 0.000 2.479 374 V HA 0.063 4.184 4.120 0.001 0.000 0.281 374 V C 0.043 175.875 176.094 -0.437 0.000 1.031 374 V CA 0.555 62.635 62.300 -0.367 0.000 1.038 374 V CB 0.499 32.002 31.823 -0.532 0.000 0.981 374 V HN 0.316 nan 8.190 nan 0.000 0.478 375 D N 4.358 124.599 120.400 -0.265 0.000 2.422 375 D HA 0.187 4.828 4.640 0.001 0.000 0.227 375 D C 0.460 176.697 176.300 -0.104 0.000 1.190 375 D CA -0.069 53.842 54.000 -0.148 0.000 0.905 375 D CB 0.535 41.302 40.800 -0.055 0.000 1.034 375 D HN 0.473 nan 8.370 nan 0.000 0.507 376 Y N 3.240 123.562 120.300 0.038 0.000 2.163 376 Y HA -0.021 4.530 4.550 0.001 0.000 0.288 376 Y C -0.581 175.373 175.900 0.089 0.000 1.136 376 Y CA 0.815 58.949 58.100 0.057 0.000 1.147 376 Y CB -1.426 37.058 38.460 0.039 0.000 0.987 376 Y HN 0.457 nan 8.280 nan 0.000 0.509 377 P HA -0.136 nan 4.420 nan 0.000 0.217 377 P C 1.280 178.697 177.300 0.196 0.000 1.150 377 P CA 2.134 65.344 63.100 0.184 0.000 0.832 377 P CB -0.077 31.695 31.700 0.121 0.000 0.787 378 A N -1.180 121.720 122.820 0.133 0.000 2.016 378 A HA -0.066 4.254 4.320 0.001 0.000 0.217 378 A C 1.987 179.633 177.584 0.103 0.000 1.162 378 A CA 0.952 53.048 52.037 0.099 0.000 0.662 378 A CB -1.413 17.618 19.000 0.052 0.000 0.812 378 A HN 0.066 nan 8.150 nan 0.000 0.450 379 L N -1.687 119.610 121.223 0.124 0.000 2.141 379 L HA -0.110 4.231 4.340 0.001 0.000 0.209 379 L C 2.279 179.266 176.870 0.193 0.000 1.094 379 L CA 1.646 56.562 54.840 0.128 0.000 0.763 379 L CB -0.906 41.231 42.059 0.130 0.000 0.908 379 L HN 0.623 nan 8.230 nan 0.000 0.437 380 Y N 0.481 120.869 120.300 0.147 0.000 2.163 380 Y HA -0.256 4.295 4.550 0.001 0.000 0.288 380 Y C 2.712 178.711 175.900 0.165 0.000 1.136 380 Y CA 2.552 60.768 58.100 0.194 0.000 1.147 380 Y CB -0.416 38.131 38.460 0.144 0.000 0.987 380 Y HN 0.066 nan 8.280 nan 0.000 0.509 381 R N 0.699 121.214 120.500 0.024 0.000 2.115 381 R HA 0.060 4.401 4.340 0.001 0.000 0.230 381 R C 2.355 178.615 176.300 -0.066 0.000 1.111 381 R CA 1.539 57.595 56.100 -0.074 0.000 0.976 381 R CB -1.869 28.462 30.300 0.052 0.000 0.870 381 R HN 0.621 nan 8.270 nan 0.000 0.445 382 A N -0.023 122.788 122.820 -0.014 0.000 1.898 382 A HA 0.010 4.331 4.320 0.001 0.000 0.216 382 A C 2.338 179.902 177.584 -0.032 0.000 1.181 382 A CA 1.857 53.886 52.037 -0.014 0.000 0.620 382 A CB -0.287 18.715 19.000 0.005 0.000 0.819 382 A HN 0.494 nan 8.150 nan 0.000 0.442 383 M N -0.654 118.924 119.600 -0.037 0.000 2.319 383 M HA -0.061 4.420 4.480 0.001 0.000 0.265 383 M C 1.914 178.205 176.300 -0.015 0.000 1.068 383 M CA 1.283 56.546 55.300 -0.061 0.000 1.118 383 M CB -0.831 31.689 32.600 -0.134 0.000 1.395 383 M HN 0.468 nan 8.290 nan 0.000 0.435 384 C N -1.088 118.171 119.300 -0.068 0.000 2.450 384 C HA 0.003 4.464 4.460 0.001 0.000 0.279 384 C C 2.944 177.905 174.990 -0.048 0.000 1.335 384 C CA 1.153 60.117 59.018 -0.090 0.000 1.749 384 C CB -1.744 25.824 27.740 -0.287 0.000 1.963 384 C HN 0.610 nan 8.230 nan 0.000 0.501 385 L N 0.046 121.242 121.223 -0.045 0.000 2.131 385 L HA 0.515 4.856 4.340 0.001 0.000 0.206 385 L C 1.607 178.468 176.870 -0.015 0.000 1.087 385 L CA 1.908 56.733 54.840 -0.025 0.000 0.767 385 L CB -1.534 40.513 42.059 -0.020 0.000 0.917 385 L HN 0.475 nan 8.230 nan 0.000 0.441 391 I N -0.464 120.120 120.570 0.024 0.000 2.750 391 I HA 0.770 4.941 4.170 0.001 0.000 0.308 391 I C 0.369 176.504 176.117 0.031 0.000 1.016 391 I CA -0.865 60.455 61.300 0.034 0.000 1.098 391 I CB 1.969 39.997 38.000 0.048 0.000 1.279 391 I HN 0.136 nan 8.210 nan 0.000 0.454 392 S N 1.843 117.565 115.700 0.036 0.000 2.624 392 S HA 0.219 4.690 4.470 0.001 0.000 0.263 392 S C 0.977 175.597 174.600 0.033 0.000 1.287 392 S CA -0.048 58.171 58.200 0.032 0.000 0.990 392 S CB 1.034 64.254 63.200 0.034 0.000 0.950 392 S HN 0.762 nan 8.310 nan 0.000 0.561 393 T N 1.820 116.391 114.554 0.029 0.000 2.684 393 T HA -0.199 4.152 4.350 0.001 0.000 0.267 393 T C 2.055 176.774 174.700 0.033 0.000 1.036 393 T CA 2.160 64.277 62.100 0.028 0.000 1.148 393 T CB -0.611 68.272 68.868 0.026 0.000 0.863 393 T HN 0.846 nan 8.240 nan 0.000 0.436 394 Q N 0.697 120.520 119.800 0.039 0.000 2.172 394 Q HA -0.073 4.267 4.340 0.001 0.000 0.200 394 Q C 2.098 178.132 176.000 0.056 0.000 0.964 394 Q CA 1.442 57.271 55.803 0.044 0.000 0.855 394 Q CB -0.265 28.499 28.738 0.043 0.000 0.918 394 Q HN 0.490 nan 8.270 nan 0.000 0.444 395 E N 1.568 121.808 120.200 0.066 0.000 2.072 395 E HA -0.112 4.239 4.350 0.001 0.000 0.191 395 E C 2.004 178.638 176.600 0.055 0.000 0.985 395 E CA 1.410 57.869 56.400 0.100 0.000 0.801 395 E CB -0.246 29.518 29.700 0.107 0.000 0.750 395 E HN 0.441 nan 8.360 nan 0.000 0.452 396 A N 0.032 122.871 122.820 0.032 0.000 1.930 396 A HA -0.104 4.216 4.320 0.001 0.000 0.217 396 A C 2.397 179.975 177.584 -0.010 0.000 1.175 396 A CA 1.442 53.483 52.037 0.006 0.000 0.627 396 A CB -0.530 18.477 19.000 0.013 0.000 0.815 396 A HN 0.223 nan 8.150 nan 0.000 0.443 397 V N -0.348 119.569 119.914 0.005 0.000 2.453 397 V HA -0.161 3.960 4.120 0.001 0.000 0.247 397 V C 3.009 179.096 176.094 -0.011 0.000 1.048 397 V CA 1.618 63.919 62.300 0.002 0.000 1.049 397 V CB -1.019 30.816 31.823 0.019 0.000 0.672 397 V HN 0.600 nan 8.190 nan 0.000 0.457 398 A N 0.234 123.053 122.820 -0.002 0.000 1.877 398 A HA -0.245 4.076 4.320 0.001 0.000 0.216 398 A C 2.347 179.862 177.584 -0.115 0.000 1.186 398 A CA 1.967 54.002 52.037 -0.004 0.000 0.620 398 A CB -0.486 18.567 19.000 0.089 0.000 0.822 398 A HN 0.489 nan 8.150 nan 0.000 0.443 399 R N -0.456 119.900 120.500 -0.240 0.000 2.080 399 R HA -0.123 4.217 4.340 0.001 0.000 0.236 399 R C 2.509 178.740 176.300 -0.114 0.000 1.137 399 R CA 1.478 57.400 56.100 -0.297 0.000 0.943 399 R CB -0.587 29.561 30.300 -0.253 0.000 0.846 399 R HN 0.515 nan 8.270 nan 0.000 0.431 400 A N 1.081 123.857 122.820 -0.073 0.000 1.917 400 A HA -0.211 4.110 4.320 0.001 0.000 0.219 400 A C 2.373 179.909 177.584 -0.081 0.000 1.182 400 A CA 1.955 53.957 52.037 -0.058 0.000 0.633 400 A CB -0.892 18.089 19.000 -0.031 0.000 0.819 400 A HN 0.451 nan 8.150 nan 0.000 0.448 401 A N -0.676 122.102 122.820 -0.070 0.000 1.877 401 A HA -0.028 4.292 4.320 0.001 0.000 0.216 401 A C 2.254 179.779 177.584 -0.097 0.000 1.186 401 A CA 1.911 53.911 52.037 -0.062 0.000 0.620 401 A CB -1.030 17.952 19.000 -0.031 0.000 0.822 401 A HN 0.445 nan 8.150 nan 0.000 0.443 402 V N 0.163 119.999 119.914 -0.130 0.000 2.343 402 V HA -0.235 3.886 4.120 0.001 0.000 0.247 402 V C 2.574 178.480 176.094 -0.313 0.000 1.051 402 V CA 2.134 64.323 62.300 -0.185 0.000 1.036 402 V CB -0.750 30.986 31.823 -0.145 0.000 0.654 402 V HN 0.542 nan 8.190 nan 0.000 0.451 403 E N 0.256 120.216 120.200 -0.399 0.000 2.038 403 E HA -0.201 4.150 4.350 0.001 0.000 0.195 403 E C 2.342 178.823 176.600 -0.199 0.000 1.000 403 E CA 2.096 58.271 56.400 -0.375 0.000 0.803 403 E CB -0.437 29.100 29.700 -0.272 0.000 0.750 403 E HN 0.623 nan 8.360 nan 0.000 0.448 404 T N 1.287 115.759 114.554 -0.137 0.000 2.720 404 T HA -0.145 4.206 4.350 0.001 0.000 0.268 404 T C 1.972 176.621 174.700 -0.086 0.000 1.037 404 T CA 1.397 63.444 62.100 -0.089 0.000 1.144 404 T CB -0.251 68.579 68.868 -0.063 0.000 0.864 404 T HN 0.259 nan 8.240 nan 0.000 0.444 405 A N 1.524 124.285 122.820 -0.098 0.000 1.883 405 A HA -0.144 4.176 4.320 0.001 0.000 0.217 405 A C 2.442 179.974 177.584 -0.087 0.000 1.186 405 A CA 1.895 53.881 52.037 -0.085 0.000 0.624 405 A CB -0.805 18.142 19.000 -0.089 0.000 0.822 405 A HN 0.419 nan 8.150 nan 0.000 0.444 406 E N -1.671 118.463 120.200 -0.110 0.000 2.106 406 E HA -0.161 4.190 4.350 0.001 0.000 0.192 406 E C 2.101 178.660 176.600 -0.068 0.000 0.984 406 E CA 0.839 57.184 56.400 -0.091 0.000 0.806 406 E CB -0.877 28.758 29.700 -0.109 0.000 0.750 406 E HN 0.739 nan 8.360 nan 0.000 0.458 407 C N 0.256 119.511 119.300 -0.075 0.000 2.432 407 C HA -0.080 4.381 4.460 0.001 0.000 0.277 407 C C 2.673 177.639 174.990 -0.040 0.000 1.249 407 C CA 1.428 60.413 59.018 -0.054 0.000 1.725 407 C CB -0.835 26.871 27.740 -0.057 0.000 2.028 407 C HN 0.571 nan 8.230 nan 0.000 0.477 408 V N -0.832 119.057 119.914 -0.042 0.000 3.633 408 V HA 0.296 4.417 4.120 0.001 0.000 0.283 408 V C 0.603 176.678 176.094 -0.030 0.000 1.305 408 V CA 0.959 63.239 62.300 -0.032 0.000 1.153 408 V CB -1.452 30.353 31.823 -0.030 0.000 0.950 408 V HN 0.645 nan 8.190 nan 0.000 0.432 409 N N 1.127 119.805 118.700 -0.036 0.000 2.667 409 N HA -0.192 4.549 4.740 0.001 0.000 0.263 409 N C 0.091 175.580 175.510 -0.034 0.000 1.038 409 N CA 0.817 53.846 53.050 -0.034 0.000 0.749 409 N CB -1.149 37.325 38.487 -0.023 0.000 0.892 409 N HN 1.128 nan 8.380 nan 0.000 0.546 410 A N 0.804 123.599 122.820 -0.042 0.000 2.445 410 A HA 0.610 4.931 4.320 0.001 0.000 0.242 410 A C 1.543 179.104 177.584 -0.038 0.000 1.075 410 A CA 0.322 52.336 52.037 -0.039 0.000 0.777 410 A CB 0.267 19.241 19.000 -0.043 0.000 1.013 410 A HN 0.779 nan 8.150 nan 0.000 0.493 411 A N 2.348 125.150 122.820 -0.030 0.000 1.874 411 A HA 0.309 4.630 4.320 0.001 0.000 0.214 411 A C 0.800 178.365 177.584 -0.032 0.000 1.189 411 A CA 1.097 53.117 52.037 -0.028 0.000 0.615 411 A CB -0.140 18.848 19.000 -0.020 0.000 0.830 411 A HN 0.700 nan 8.150 nan 0.000 0.443 412 I N -1.052 119.500 120.570 -0.029 0.000 2.828 412 I HA 0.440 4.611 4.170 0.001 0.000 0.302 412 I C -1.032 175.068 176.117 -0.028 0.000 1.101 412 I CA -0.707 60.576 61.300 -0.028 0.000 1.031 412 I CB 1.708 39.696 38.000 -0.020 0.000 1.231 412 I HN 0.052 nan 8.210 nan 0.000 0.427 413 I N 4.542 125.096 120.570 -0.026 0.000 2.339 413 I HA 0.255 4.426 4.170 0.001 0.000 0.290 413 I C -0.752 175.360 176.117 -0.009 0.000 0.994 413 I CA -0.841 60.447 61.300 -0.019 0.000 1.191 413 I CB 1.574 39.562 38.000 -0.020 0.000 1.343 413 I HN 0.163 nan 8.210 nan 0.000 0.458 414 L N 6.541 127.762 121.223 -0.004 0.000 2.260 414 L HA 0.444 4.784 4.340 0.001 0.000 0.289 414 L C 0.393 177.267 176.870 0.006 0.000 1.057 414 L CA -0.179 54.662 54.840 0.002 0.000 0.811 414 L CB 1.003 43.065 42.059 0.006 0.000 1.184 414 L HN 0.637 nan 8.230 nan 0.000 0.429 415 A N 5.446 128.268 122.820 0.003 0.000 2.322 415 A HA 0.605 4.925 4.320 0.001 0.000 0.327 415 A C -0.599 176.974 177.584 -0.019 0.000 1.394 415 A CA -0.543 51.492 52.037 -0.004 0.000 0.921 415 A CB -0.137 18.864 19.000 0.002 0.000 1.153 415 A HN 0.491 nan 8.150 nan 0.000 0.523 416 L N 2.260 123.466 121.223 -0.028 0.000 2.313 416 L HA 0.542 4.883 4.340 0.001 0.000 0.282 416 L C 0.765 177.524 176.870 -0.186 0.000 1.092 416 L CA 0.871 55.678 54.840 -0.055 0.000 0.831 416 L CB 1.137 43.225 42.059 0.047 0.000 1.159 416 L HN 0.669 nan 8.230 nan 0.000 0.442 417 T N 1.658 116.133 114.554 -0.130 0.000 2.956 417 T HA 0.287 4.638 4.350 0.001 0.000 0.312 417 T C 0.318 174.971 174.700 -0.079 0.000 1.151 417 T CA -0.429 61.591 62.100 -0.135 0.000 1.024 417 T CB 1.465 70.289 68.868 -0.073 0.000 1.140 417 T HN 0.666 nan 8.240 nan 0.000 0.473 418 E N 1.272 121.431 120.200 -0.069 0.000 2.206 418 E HA 0.031 4.382 4.350 0.001 0.000 0.195 418 E C 1.865 178.462 176.600 -0.005 0.000 0.935 418 E CA 1.417 57.801 56.400 -0.025 0.000 0.875 418 E CB 0.229 29.925 29.700 -0.007 0.000 0.841 418 E HN 0.826 nan 8.360 nan 0.000 0.477 419 T N -3.361 111.193 114.554 -0.000 0.000 3.065 419 T HA 0.252 4.603 4.350 0.001 0.000 0.252 419 T C 1.443 176.168 174.700 0.042 0.000 1.099 419 T CA 1.078 63.194 62.100 0.028 0.000 1.063 419 T CB 0.628 69.510 68.868 0.024 0.000 0.948 419 T HN 0.227 nan 8.240 nan 0.000 0.506 420 G N 1.163 109.975 108.800 0.021 0.000 2.213 420 G HA2 -0.366 3.594 3.960 0.001 0.000 0.236 420 G HA3 -0.366 3.594 3.960 0.001 0.000 0.236 420 G C 0.839 175.756 174.900 0.028 0.000 0.991 420 G CA 0.701 45.822 45.100 0.034 0.000 0.629 420 G HN 0.645 nan 8.290 nan 0.000 0.517 421 Q N 0.267 120.077 119.800 0.018 0.000 2.096 421 Q HA -0.120 4.220 4.340 0.001 0.000 0.204 421 Q C 2.479 178.492 176.000 0.021 0.000 0.982 421 Q CA 2.539 58.355 55.803 0.020 0.000 0.850 421 Q CB -0.378 28.369 28.738 0.015 0.000 0.901 421 Q HN 0.547 nan 8.270 nan 0.000 0.422 422 T N 0.597 115.150 114.554 -0.001 0.000 2.708 422 T HA -0.131 4.220 4.350 0.001 0.000 0.266 422 T C 1.798 176.511 174.700 0.022 0.000 1.037 422 T CA 1.325 63.425 62.100 -0.000 0.000 1.146 422 T CB -0.466 68.371 68.868 -0.053 0.000 0.865 422 T HN 0.503 nan 8.240 nan 0.000 0.435 423 A N 1.768 124.598 122.820 0.016 0.000 1.858 423 A HA -0.127 4.194 4.320 0.001 0.000 0.216 423 A C 2.378 179.993 177.584 0.051 0.000 1.190 423 A CA 1.551 53.606 52.037 0.031 0.000 0.617 423 A CB -0.586 18.430 19.000 0.026 0.000 0.827 423 A HN 0.378 nan 8.150 nan 0.000 0.443 424 R N -1.374 119.156 120.500 0.050 0.000 2.091 424 R HA -0.143 4.198 4.340 0.001 0.000 0.238 424 R C 2.036 178.372 176.300 0.061 0.000 1.136 424 R CA 1.469 57.600 56.100 0.053 0.000 0.959 424 R CB -0.501 29.828 30.300 0.047 0.000 0.856 424 R HN 0.435 nan 8.270 nan 0.000 0.437 425 L N 0.653 121.923 121.223 0.077 0.000 2.046 425 L HA -0.126 4.215 4.340 0.001 0.000 0.208 425 L C 2.001 179.005 176.870 0.224 0.000 1.077 425 L CA 1.594 56.509 54.840 0.126 0.000 0.747 425 L CB -0.276 41.857 42.059 0.123 0.000 0.896 425 L HN 0.141 nan 8.230 nan 0.000 0.432 426 I N -1.186 119.491 120.570 0.179 0.000 2.286 426 I HA -0.241 3.929 4.170 0.001 0.000 0.245 426 I C 2.508 178.745 176.117 0.199 0.000 1.104 426 I CA 1.099 62.522 61.300 0.205 0.000 1.397 426 I CB -0.547 37.516 38.000 0.106 0.000 1.072 426 I HN 0.224 nan 8.210 nan 0.000 0.417 427 A N 0.782 123.674 122.820 0.120 0.000 1.978 427 A HA -0.272 4.048 4.320 0.001 0.000 0.220 427 A C 2.374 180.004 177.584 0.077 0.000 1.170 427 A CA 1.904 53.995 52.037 0.091 0.000 0.636 427 A CB -0.608 18.430 19.000 0.064 0.000 0.810 427 A HN 0.419 nan 8.150 nan 0.000 0.448 428 K N -1.445 118.975 120.400 0.033 0.000 2.152 428 K HA -0.187 4.134 4.320 0.001 0.000 0.206 428 K C 1.068 177.554 176.600 -0.190 0.000 1.048 428 K CA 1.662 57.886 56.287 -0.105 0.000 0.933 428 K CB -0.312 32.068 32.500 -0.200 0.000 0.721 428 K HN 0.556 nan 8.250 nan 0.000 0.447 429 Y N 1.073 121.435 120.300 0.104 0.000 2.490 429 Y HA 0.190 4.741 4.550 0.001 0.000 0.281 429 Y C -0.119 175.887 175.900 0.177 0.000 1.174 429 Y CA -0.128 58.069 58.100 0.160 0.000 1.295 429 Y CB 0.303 38.909 38.460 0.243 0.000 1.062 429 Y HN -0.049 nan 8.280 nan 0.000 0.522 430 R N 0.220 120.854 120.500 0.224 0.000 3.022 430 R HA -0.160 4.180 4.340 0.001 0.000 0.248 430 R C -2.952 173.487 176.300 0.233 0.000 0.874 430 R CA 0.206 56.442 56.100 0.227 0.000 0.626 430 R CB -1.887 28.560 30.300 0.246 0.000 1.255 430 R HN 0.275 nan 8.270 nan 0.000 0.496 431 P HA 0.047 nan 4.420 nan 0.000 0.275 431 P C 1.202 178.255 177.300 -0.411 0.000 1.228 431 P CA 0.172 63.229 63.100 -0.071 0.000 0.786 431 P CB 0.456 32.125 31.700 -0.051 0.000 0.927 432 M N 0.797 120.020 119.600 -0.628 0.000 2.279 432 M HA -0.122 4.358 4.480 0.001 0.000 0.264 432 M C 1.097 177.119 176.300 -0.463 0.000 1.062 432 M CA 1.753 56.467 55.300 -0.977 0.000 1.099 432 M CB -1.610 30.651 32.600 -0.565 0.000 1.394 432 M HN 0.439 nan 8.290 nan 0.000 0.426 433 Q N 0.960 120.600 119.800 -0.266 0.000 2.288 433 Q HA 0.451 4.792 4.340 0.001 0.000 0.254 433 Q C -2.431 173.502 176.000 -0.111 0.000 0.932 433 Q CA -1.961 53.754 55.803 -0.147 0.000 0.902 433 Q CB 0.190 28.867 28.738 -0.102 0.000 1.203 433 Q HN 0.352 nan 8.270 nan 0.000 0.415 434 P HA 0.018 nan 4.420 nan 0.000 0.266 434 P C -0.781 176.501 177.300 -0.030 0.000 1.195 434 P CA 0.275 63.350 63.100 -0.042 0.000 0.768 434 P CB 0.476 32.159 31.700 -0.028 0.000 0.838 435 I N 3.353 123.913 120.570 -0.016 0.000 2.328 435 I HA 0.192 4.363 4.170 0.001 0.000 0.287 435 I C -0.040 176.075 176.117 -0.003 0.000 1.012 435 I CA -0.798 60.499 61.300 -0.005 0.000 1.195 435 I CB 0.865 38.871 38.000 0.010 0.000 1.350 435 I HN 0.136 nan 8.210 nan 0.000 0.464 436 L N 7.505 128.725 121.223 -0.005 0.000 2.259 436 L HA 0.593 4.934 4.340 0.001 0.000 0.288 436 L C 0.336 177.205 176.870 -0.001 0.000 1.051 436 L CA -0.162 54.675 54.840 -0.004 0.000 0.824 436 L CB 0.699 42.754 42.059 -0.007 0.000 1.206 436 L HN 0.648 nan 8.230 nan 0.000 0.429 437 A N 6.601 129.422 122.820 0.001 0.000 2.366 437 A HA 0.623 4.944 4.320 0.001 0.000 0.272 437 A C -0.675 176.906 177.584 -0.004 0.000 1.135 437 A CA -0.393 51.645 52.037 0.000 0.000 0.804 437 A CB 0.004 19.007 19.000 0.006 0.000 1.064 437 A HN 0.734 nan 8.150 nan 0.000 0.499 438 L N 2.477 123.697 121.223 -0.006 0.000 2.305 438 L HA 0.638 4.979 4.340 0.001 0.000 0.284 438 L C 0.249 177.112 176.870 -0.011 0.000 1.013 438 L CA -0.216 54.621 54.840 -0.005 0.000 0.819 438 L CB 1.681 43.742 42.059 0.004 0.000 1.227 438 L HN 0.643 nan 8.230 nan 0.000 0.417 439 S N 1.024 116.715 115.700 -0.014 0.000 2.546 439 S HA 0.709 5.180 4.470 0.001 0.000 0.274 439 S C 0.364 174.951 174.600 -0.022 0.000 1.121 439 S CA 0.089 58.277 58.200 -0.021 0.000 0.887 439 S CB 2.042 65.225 63.200 -0.029 0.000 1.094 439 S HN 0.653 nan 8.310 nan 0.000 0.474 440 A N 2.012 124.820 122.820 -0.020 0.000 2.195 440 A HA 0.376 4.697 4.320 0.001 0.000 0.210 440 A C 0.994 178.552 177.584 -0.044 0.000 1.165 440 A CA 0.303 52.326 52.037 -0.024 0.000 0.806 440 A CB -0.227 18.767 19.000 -0.010 0.000 0.847 440 A HN 0.737 nan 8.150 nan 0.000 0.482 441 S N -0.074 115.594 115.700 -0.055 0.000 2.439 441 S HA 0.449 4.920 4.470 0.001 0.000 0.282 441 S C 1.193 175.716 174.600 -0.130 0.000 1.170 441 S CA 0.576 58.721 58.200 -0.092 0.000 1.054 441 S CB 0.955 64.108 63.200 -0.078 0.000 0.956 441 S HN 0.601 nan 8.310 nan 0.000 0.490 442 E N 3.418 123.521 120.200 -0.162 0.000 2.106 442 E HA -0.112 4.239 4.350 0.001 0.000 0.192 442 E C 2.188 178.637 176.600 -0.253 0.000 0.984 442 E CA 1.699 57.995 56.400 -0.173 0.000 0.806 442 E CB -0.967 28.639 29.700 -0.157 0.000 0.750 442 E HN 0.947 nan 8.360 nan 0.000 0.458 443 S N -0.687 114.792 115.700 -0.369 0.000 2.395 443 S HA -0.107 4.363 4.470 0.001 0.000 0.225 443 S C 2.322 176.481 174.600 -0.734 0.000 1.027 443 S CA 1.566 59.423 58.200 -0.572 0.000 0.965 443 S CB -0.435 62.396 63.200 -0.615 0.000 0.812 443 S HN 0.447 nan 8.310 nan 0.000 0.482 444 T N 2.789 117.129 114.554 -0.357 0.000 2.720 444 T HA 0.032 4.383 4.350 0.001 0.000 0.268 444 T C 1.634 176.265 174.700 -0.114 0.000 1.037 444 T CA 1.695 63.713 62.100 -0.137 0.000 1.144 444 T CB -0.555 68.292 68.868 -0.036 0.000 0.864 444 T HN 0.386 nan 8.240 nan 0.000 0.444 445 I N 0.476 120.970 120.570 -0.128 0.000 2.264 445 I HA -0.182 3.989 4.170 0.001 0.000 0.248 445 I C 2.490 178.571 176.117 -0.060 0.000 1.111 445 I CA 1.179 62.436 61.300 -0.072 0.000 1.382 445 I CB -0.117 37.842 38.000 -0.069 0.000 1.060 445 I HN 0.070 nan 8.210 nan 0.000 0.418 446 K N -0.165 120.140 120.400 -0.158 0.000 2.062 446 K HA -0.114 4.207 4.320 0.001 0.000 0.205 446 K C 1.968 178.596 176.600 0.046 0.000 1.051 446 K CA 1.534 57.761 56.287 -0.099 0.000 0.941 446 K CB -0.670 31.702 32.500 -0.213 0.000 0.719 446 K HN 0.525 nan 8.250 nan 0.000 0.440 447 H N 0.032 119.099 119.070 -0.005 0.000 2.456 447 H HA -0.041 4.516 4.556 0.001 0.000 0.296 447 H C 1.535 177.022 175.328 0.265 0.000 1.079 447 H CA 0.226 56.327 56.048 0.088 0.000 1.322 447 H CB 0.198 29.930 29.762 -0.050 0.000 1.388 447 H HN -0.085 nan 8.280 nan 0.000 0.538 448 L N 0.832 122.198 121.223 0.238 0.000 2.478 448 L HA -0.092 4.248 4.340 0.001 0.000 0.223 448 L C 1.709 178.665 176.870 0.142 0.000 1.140 448 L CA 1.100 56.038 54.840 0.162 0.000 0.842 448 L CB -0.336 41.776 42.059 0.088 0.000 0.953 448 L HN 0.287 nan 8.230 nan 0.000 0.452 449 Q N -1.387 118.516 119.800 0.172 0.000 2.500 449 Q HA 0.001 4.341 4.340 0.001 0.000 0.213 449 Q C 1.930 177.985 176.000 0.092 0.000 0.974 449 Q CA 0.562 56.440 55.803 0.124 0.000 0.918 449 Q CB -0.070 28.752 28.738 0.140 0.000 0.980 449 Q HN 0.310 nan 8.270 nan 0.000 0.505 450 V N 0.264 120.240 119.914 0.104 0.000 3.578 450 V HA 0.088 4.208 4.120 0.001 0.000 0.290 450 V C 0.074 176.184 176.094 0.026 0.000 1.376 450 V CA 0.095 62.396 62.300 0.002 0.000 1.083 450 V CB 0.411 32.143 31.823 -0.150 0.000 0.911 450 V HN 0.063 nan 8.190 nan 0.000 0.433 451 I N 1.876 122.482 120.570 0.060 0.000 2.312 451 I HA 0.354 4.524 4.170 0.001 0.000 0.290 451 I C 0.681 176.825 176.117 0.045 0.000 1.008 451 I CA -0.164 61.169 61.300 0.055 0.000 1.226 451 I CB 0.922 38.963 38.000 0.069 0.000 1.371 451 I HN 0.178 nan 8.210 nan 0.000 0.468 452 R N 4.173 124.700 120.500 0.045 0.000 2.538 452 R HA 0.175 4.516 4.340 0.001 0.000 0.282 452 R C 1.087 177.418 176.300 0.052 0.000 1.009 452 R CA 1.299 57.430 56.100 0.051 0.000 1.063 452 R CB 0.289 30.627 30.300 0.063 0.000 0.945 452 R HN 0.983 nan 8.270 nan 0.000 0.414 453 G N 2.315 111.140 108.800 0.042 0.000 2.176 453 G HA2 -0.254 3.706 3.960 0.001 0.000 0.253 453 G HA3 -0.254 3.706 3.960 0.001 0.000 0.253 453 G C -0.217 174.694 174.900 0.018 0.000 0.979 453 G CA 0.136 45.257 45.100 0.034 0.000 0.641 453 G HN 0.522 nan 8.290 nan 0.000 0.530 454 V N 1.954 121.880 119.914 0.019 0.000 2.435 454 V HA 0.765 4.885 4.120 0.001 0.000 0.290 454 V C 0.761 176.859 176.094 0.006 0.000 1.030 454 V CA 0.274 62.584 62.300 0.017 0.000 0.881 454 V CB 1.587 33.429 31.823 0.032 0.000 0.983 454 V HN 0.756 nan 8.190 nan 0.000 0.445 455 T N 0.823 115.377 114.554 0.000 0.000 2.940 455 T HA 0.667 5.018 4.350 0.001 0.000 0.288 455 T C -0.326 174.376 174.700 0.002 0.000 1.045 455 T CA -0.700 61.398 62.100 -0.002 0.000 1.018 455 T CB 2.032 70.892 68.868 -0.013 0.000 1.151 455 T HN 0.496 nan 8.240 nan 0.000 0.529 456 T N 1.619 116.174 114.554 0.002 0.000 2.887 456 T HA 0.685 5.035 4.350 0.001 0.000 0.288 456 T C -1.106 173.591 174.700 -0.004 0.000 1.021 456 T CA -0.748 61.353 62.100 0.001 0.000 1.000 456 T CB 1.246 70.117 68.868 0.004 0.000 1.034 456 T HN 0.773 nan 8.240 nan 0.000 0.467 457 M N 3.132 122.728 119.600 -0.007 0.000 2.224 457 M HA 0.385 4.866 4.480 0.001 0.000 0.281 457 M C -1.076 175.217 176.300 -0.012 0.000 1.025 457 M CA -0.635 54.660 55.300 -0.009 0.000 0.954 457 M CB 2.057 34.653 32.600 -0.007 0.000 1.639 457 M HN 0.577 nan 8.290 nan 0.000 0.461 458 Q N 3.598 123.389 119.800 -0.015 0.000 2.304 458 Q HA 0.648 4.989 4.340 0.001 0.000 0.260 458 Q C -1.437 174.555 176.000 -0.014 0.000 0.965 458 Q CA -0.122 55.669 55.803 -0.019 0.000 0.898 458 Q CB 1.221 29.944 28.738 -0.025 0.000 1.196 458 Q HN 0.716 nan 8.270 nan 0.000 0.402 459 V N 3.355 123.261 119.914 -0.012 0.000 3.007 459 V HA 0.626 4.746 4.120 0.001 0.000 0.311 459 V C -2.533 173.557 176.094 -0.006 0.000 1.120 459 V CA -2.140 60.156 62.300 -0.006 0.000 0.980 459 V CB 1.767 33.590 31.823 0.000 0.000 1.033 459 V HN 0.721 nan 8.190 nan 0.000 0.429 467 H N -0.488 118.582 119.070 0.000 0.000 2.423 467 H HA 0.027 4.584 4.556 0.001 0.000 0.297 467 H C 2.414 177.745 175.328 0.003 0.000 1.075 467 H CA 1.462 57.510 56.048 0.000 0.000 1.342 467 H CB -0.343 29.419 29.762 -0.001 0.000 1.395 467 H HN 0.079 nan 8.280 nan 0.000 0.530 468 V N 0.839 120.758 119.914 0.008 0.000 2.282 468 V HA -0.258 3.862 4.120 0.001 0.000 0.249 468 V C 2.470 178.570 176.094 0.011 0.000 1.057 468 V CA 2.232 64.538 62.300 0.011 0.000 1.032 468 V CB -0.668 31.167 31.823 0.020 0.000 0.645 468 V HN 0.514 nan 8.190 nan 0.000 0.447 469 I N 0.057 120.635 120.570 0.014 0.000 2.208 469 I HA -0.293 3.878 4.170 0.001 0.000 0.245 469 I C 3.049 179.169 176.117 0.005 0.000 1.097 469 I CA 2.063 63.370 61.300 0.012 0.000 1.363 469 I CB -0.661 37.348 38.000 0.015 0.000 1.051 469 I HN 0.367 nan 8.210 nan 0.000 0.413 470 R N 0.941 121.443 120.500 0.003 0.000 2.073 470 R HA -0.109 4.231 4.340 0.001 0.000 0.229 470 R C 2.055 178.354 176.300 -0.001 0.000 1.120 470 R CA 1.765 57.864 56.100 -0.000 0.000 0.967 470 R CB -2.451 27.848 30.300 -0.002 0.000 0.862 470 R HN 0.617 nan 8.270 nan 0.000 0.436 471 N N 0.769 119.468 118.700 -0.000 0.000 2.396 471 N HA 0.210 4.951 4.740 0.001 0.000 0.180 471 N C 2.320 177.829 175.510 -0.002 0.000 1.028 471 N CA 1.551 54.600 53.050 -0.002 0.000 0.893 471 N CB -0.363 38.123 38.487 -0.001 0.000 0.967 471 N HN 0.804 nan 8.380 nan 0.000 0.440 472 A N 0.669 123.489 122.820 -0.000 0.000 1.897 472 A HA 0.307 4.628 4.320 0.001 0.000 0.215 472 A C 2.702 180.284 177.584 -0.003 0.000 1.181 472 A CA 1.913 53.949 52.037 -0.001 0.000 0.620 472 A CB -0.868 18.133 19.000 0.001 0.000 0.821 472 A HN 1.072 nan 8.150 nan 0.000 0.443 473 I N -0.905 119.663 120.570 -0.003 0.000 2.614 473 I HA -0.012 4.159 4.170 0.001 0.000 0.258 473 I C 2.429 178.542 176.117 -0.006 0.000 1.189 473 I CA 1.963 63.260 61.300 -0.005 0.000 1.462 473 I CB -1.504 36.493 38.000 -0.004 0.000 1.092 473 I HN 0.206 nan 8.210 nan 0.000 0.442 474 V N 0.012 119.923 119.914 -0.005 0.000 2.323 474 V HA -0.206 3.915 4.120 0.001 0.000 0.244 474 V C 2.700 178.790 176.094 -0.007 0.000 1.041 474 V CA 1.964 64.260 62.300 -0.006 0.000 1.025 474 V CB -0.253 31.567 31.823 -0.005 0.000 0.656 474 V HN 0.568 nan 8.190 nan 0.000 0.451 475 V N 0.203 120.113 119.914 -0.007 0.000 2.358 475 V HA -0.047 4.074 4.120 0.001 0.000 0.246 475 V C 1.597 177.686 176.094 -0.009 0.000 1.047 475 V CA 1.113 63.408 62.300 -0.008 0.000 1.035 475 V CB -1.046 30.773 31.823 -0.007 0.000 0.658 475 V HN 0.494 nan 8.190 nan 0.000 0.452 481 L N -0.294 120.919 121.223 -0.017 0.000 2.240 481 L HA 0.630 4.971 4.340 0.001 0.000 0.211 481 L C 1.498 178.359 176.870 -0.014 0.000 1.106 481 L CA 1.889 56.719 54.840 -0.016 0.000 0.793 481 L CB -0.817 41.232 42.059 -0.016 0.000 0.927 481 L HN 1.370 nan 8.230 nan 0.000 0.446 482 V N -4.616 115.291 119.914 -0.013 0.000 3.001 482 V HA 0.828 4.948 4.120 0.001 0.000 0.314 482 V C -0.116 175.972 176.094 -0.011 0.000 1.099 482 V CA -0.399 61.894 62.300 -0.012 0.000 0.989 482 V CB 1.150 32.966 31.823 -0.012 0.000 1.040 482 V HN 0.276 nan 8.190 nan 0.000 0.434 483 T N 1.083 115.631 114.554 -0.010 0.000 2.945 483 T HA 0.693 5.044 4.350 0.001 0.000 0.286 483 T C 0.225 174.921 174.700 -0.008 0.000 1.025 483 T CA 0.240 62.335 62.100 -0.009 0.000 1.039 483 T CB 1.269 70.132 68.868 -0.007 0.000 1.068 483 T HN 1.419 nan 8.240 nan 0.000 0.497 484 E N 0.055 120.251 120.200 -0.007 0.000 2.415 484 E HA 0.422 4.773 4.350 0.001 0.000 0.263 484 E C 1.335 177.931 176.600 -0.007 0.000 0.995 484 E CA -0.015 56.381 56.400 -0.007 0.000 0.915 484 E CB -0.809 28.888 29.700 -0.006 0.000 0.951 484 E HN 1.503 nan 8.360 nan 0.000 0.449 485 G N 1.841 110.637 108.800 -0.007 0.000 2.176 485 G HA2 -0.241 3.719 3.960 0.001 0.000 0.253 485 G HA3 -0.241 3.719 3.960 0.001 0.000 0.253 485 G C 0.344 175.239 174.900 -0.008 0.000 0.979 485 G CA 0.340 45.436 45.100 -0.007 0.000 0.641 485 G HN 0.722 nan 8.290 nan 0.000 0.530 486 E N 0.843 121.037 120.200 -0.009 0.000 2.373 486 E HA 0.471 4.822 4.350 0.001 0.000 0.263 486 E C 0.286 176.878 176.600 -0.012 0.000 1.073 486 E CA -0.005 56.389 56.400 -0.011 0.000 0.894 486 E CB 0.677 30.370 29.700 -0.012 0.000 1.008 486 E HN 0.232 nan 8.360 nan 0.000 0.420 487 S N 1.592 117.283 115.700 -0.015 0.000 2.580 487 S HA 0.320 4.791 4.470 0.001 0.000 0.274 487 S C 0.067 174.656 174.600 -0.018 0.000 1.329 487 S CA -0.246 57.944 58.200 -0.017 0.000 1.036 487 S CB 0.362 63.550 63.200 -0.020 0.000 0.919 487 S HN 0.293 nan 8.310 nan 0.000 0.515 488 I N 2.068 122.628 120.570 -0.017 0.000 2.569 488 I HA 0.320 4.490 4.170 0.001 0.000 0.290 488 I C -1.110 174.998 176.117 -0.016 0.000 1.088 488 I CA -0.761 60.529 61.300 -0.016 0.000 1.047 488 I CB 2.134 40.127 38.000 -0.012 0.000 1.237 488 I HN 0.257 nan 8.210 nan 0.000 0.421 489 V N 5.637 125.540 119.914 -0.019 0.000 2.311 489 V HA 0.577 4.697 4.120 0.001 0.000 0.275 489 V C 0.362 176.452 176.094 -0.008 0.000 1.022 489 V CA -0.449 61.841 62.300 -0.017 0.000 0.830 489 V CB 1.160 32.966 31.823 -0.028 0.000 1.012 489 V HN 0.785 nan 8.190 nan 0.000 0.452 490 A N 4.765 127.586 122.820 0.001 0.000 2.306 490 A HA 0.878 5.199 4.320 0.001 0.000 0.314 490 A C -0.542 177.057 177.584 0.025 0.000 1.164 490 A CA -0.530 51.515 52.037 0.014 0.000 0.822 490 A CB 1.713 20.725 19.000 0.020 0.000 1.130 490 A HN 1.085 nan 8.150 nan 0.000 0.496 491 V N 2.258 122.194 119.914 0.036 0.000 2.888 491 V HA 0.727 4.848 4.120 0.001 0.000 0.309 491 V C -1.018 175.127 176.094 0.085 0.000 1.114 491 V CA -0.352 61.980 62.300 0.052 0.000 0.940 491 V CB 1.839 33.679 31.823 0.029 0.000 1.021 491 V HN 1.227 nan 8.190 nan 0.000 0.426 504 L N -2.400 118.867 121.223 0.074 0.000 2.415 504 L HA 0.857 5.197 4.340 0.001 0.000 0.256 504 L C -1.583 175.316 176.870 0.048 0.000 1.010 504 L CA -0.988 53.880 54.840 0.046 0.000 0.826 504 L CB 2.226 44.300 42.059 0.025 0.000 1.405 504 L HN 0.045 nan 8.230 nan 0.000 0.410 505 L N 1.669 122.907 121.223 0.025 0.000 2.441 505 L HA 0.632 4.973 4.340 0.001 0.000 0.270 505 L C -1.173 175.701 176.870 0.008 0.000 0.973 505 L CA -0.423 54.426 54.840 0.016 0.000 0.842 505 L CB 1.557 43.618 42.059 0.004 0.000 1.239 505 L HN 0.810 nan 8.230 nan 0.000 0.406 506 K N 3.486 123.892 120.400 0.009 0.000 2.164 506 K HA 0.698 5.018 4.320 0.001 0.000 0.258 506 K C -1.357 175.241 176.600 -0.003 0.000 0.951 506 K CA -0.723 55.565 56.287 0.002 0.000 0.844 506 K CB 2.483 34.986 32.500 0.005 0.000 1.099 506 K HN 0.381 nan 8.250 nan 0.000 0.435 507 V N 5.081 124.991 119.914 -0.007 0.000 2.448 507 V HA 0.469 4.590 4.120 0.001 0.000 0.295 507 V C -0.541 175.547 176.094 -0.009 0.000 1.025 507 V CA -0.812 61.481 62.300 -0.011 0.000 0.859 507 V CB 1.183 32.997 31.823 -0.015 0.000 0.988 507 V HN 0.612 nan 8.190 nan 0.000 0.431 508 L N 3.033 124.250 121.223 -0.010 0.000 2.283 508 L HA 0.758 5.099 4.340 0.001 0.000 0.259 508 L C -0.099 176.765 176.870 -0.010 0.000 1.027 508 L CA -0.485 54.350 54.840 -0.008 0.000 0.828 508 L CB 2.677 44.733 42.059 -0.006 0.000 1.380 508 L HN 0.478 nan 8.230 nan 0.000 0.425 509 T N 0.432 114.981 114.554 -0.009 0.000 2.824 509 T HA 0.395 4.746 4.350 0.001 0.000 0.282 509 T C -0.466 174.229 174.700 -0.008 0.000 0.993 509 T CA -0.436 61.659 62.100 -0.009 0.000 0.967 509 T CB 1.786 70.649 68.868 -0.008 0.000 0.960 509 T HN 0.214 nan 8.240 nan 0.000 0.441 510 V N 3.430 123.339 119.914 -0.008 0.000 2.557 510 V HA 0.428 4.549 4.120 0.001 0.000 0.301 510 V C 0.854 176.944 176.094 -0.007 0.000 1.026 510 V CA 0.389 62.685 62.300 -0.007 0.000 1.137 510 V CB -0.457 31.361 31.823 -0.008 0.000 0.917 510 V HN 1.084 nan 8.190 nan 0.000 0.484 511 E N 0.000 120.196 120.200 -0.006 0.000 2.725 511 E HA 0.000 4.351 4.350 0.001 0.000 0.291 511 E CA 0.000 56.397 56.400 -0.006 0.000 0.976 511 E CB 0.000 29.697 29.700 -0.005 0.000 0.812 511 E HN 0.000 nan 8.360 nan 0.000 0.440