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 1hr9_1_A DATA FIRST_RESID 14 DATA SEQUENCE ARTDNFKLSS LANGLKVATS NTPGHFSALG LYIDAGSRFE GRNLKGCTHI DATA SEQUENCE LDRLAFKSTE HVEGRAMAET LELLGGNYQC TSSRENLMYQ ASVFNQDVGK DATA SEQUENCE MLQLMSETVR FPKITEQELQ EQKLSAEYEI DEVWMKPELV LPELLHTAAY DATA SEQUENCE SGETLGSPLI CPRGLIPSIS KYYLLDYRNK FYTPENTVAA FVGVPHEKAL DATA SEQUENCE ELTGKYLGDW QSTHPPITKK VAQYTGGESC IPPAPVFGNL PELFHIQIGF DATA SEQUENCE EGLPIDHPDI YALATLQTLL GGGGXXXXXG PGKGMYSRLY THVLNQYYFV DATA SEQUENCE ENCVAFNHSY SDSGIFGISL SCIPQAAPQA VEVIAQQMYN TFANKDLRLT DATA SEQUENCE EDEVSRAKNQ LKSSLLMNLE SKLVELEDMG RQVLMHGRKI PVNEMISKIE DATA SEQUENCE DLKPDDISRV AEMIFTGNVN NAGNGKGRAT VVMQGDRGSF GDVENVLKAY DATA SEQUENCE GLGNSSS 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 14 A HA 0.000 nan 4.320 nan 0.000 0.244 14 A C 0.000 177.682 177.584 0.164 0.000 1.274 14 A CA 0.000 52.214 52.037 0.294 0.000 0.836 14 A CB 0.000 19.021 19.000 0.035 0.000 0.831 15 R N -1.457 119.110 120.500 0.112 0.000 5.266 15 R HA 0.073 4.413 4.340 -0.000 0.000 0.074 15 R C 1.149 177.480 176.300 0.051 0.000 0.697 15 R CA 1.387 57.525 56.100 0.064 0.000 1.217 15 R CB -0.317 30.006 30.300 0.039 0.000 1.389 15 R HN 0.512 nan 8.270 nan 0.000 0.392 16 T N -0.581 113.997 114.554 0.040 0.000 3.174 16 T HA 0.158 4.508 4.350 -0.000 0.000 0.269 16 T C 0.453 175.179 174.700 0.042 0.000 1.017 16 T CA -0.077 62.043 62.100 0.033 0.000 0.899 16 T CB 0.258 69.137 68.868 0.018 0.000 1.077 16 T HN -0.010 nan 8.240 nan 0.000 0.552 17 D N 2.188 122.627 120.400 0.066 0.000 2.149 17 D HA -0.054 4.586 4.640 -0.000 0.000 0.201 17 D C 1.108 177.473 176.300 0.108 0.000 0.972 17 D CA 1.050 55.101 54.000 0.085 0.000 0.835 17 D CB -0.230 40.642 40.800 0.121 0.000 0.966 17 D HN 0.565 nan 8.370 nan 0.000 0.476 18 N N -1.031 117.736 118.700 0.113 0.000 2.921 18 N HA -0.228 4.512 4.740 -0.000 0.000 0.248 18 N C -0.875 174.707 175.510 0.120 0.000 1.118 18 N CA 0.055 53.154 53.050 0.082 0.000 0.740 18 N CB -2.204 36.317 38.487 0.058 0.000 1.091 18 N HN 0.117 nan 8.380 nan 0.000 0.553 19 F N 1.837 121.790 119.950 0.005 0.000 2.444 19 F HA 0.457 4.984 4.527 -0.001 0.000 0.360 19 F C 0.280 176.063 175.800 -0.028 0.000 1.106 19 F CA -0.051 57.956 58.000 0.013 0.000 1.170 19 F CB 0.426 39.438 39.000 0.019 0.000 1.113 19 F HN 0.041 nan 8.300 nan 0.000 0.521 20 K N 6.500 126.470 120.400 -0.717 0.000 2.316 20 K HA 0.671 4.990 4.320 -0.000 0.000 0.251 20 K C -1.880 174.175 176.600 -0.908 0.000 0.934 20 K CA -1.188 54.577 56.287 -0.871 0.000 0.802 20 K CB 2.515 34.467 32.500 -0.914 0.000 1.171 20 K HN 0.588 nan 8.250 nan 0.000 0.426 21 L N 1.483 122.282 121.223 -0.707 0.000 2.439 21 L HA 0.463 4.803 4.340 -0.000 0.000 0.270 21 L C -1.091 175.748 176.870 -0.051 0.000 0.972 21 L CA 0.143 54.822 54.840 -0.269 0.000 0.836 21 L CB 1.771 43.679 42.059 -0.252 0.000 1.255 21 L HN 0.827 nan 8.230 nan 0.000 0.404 22 S N 2.037 117.819 115.700 0.137 0.000 2.851 22 S HA 0.932 5.402 4.470 -0.000 0.000 0.313 22 S C -0.725 173.928 174.600 0.088 0.000 1.163 22 S CA -0.807 57.461 58.200 0.114 0.000 0.850 22 S CB 1.723 65.042 63.200 0.198 0.000 1.245 22 S HN 0.579 nan 8.310 nan 0.000 0.558 23 S N -0.012 115.726 115.700 0.062 0.000 2.569 23 S HA 0.607 5.077 4.470 -0.000 0.000 0.280 23 S C -0.839 173.782 174.600 0.036 0.000 1.111 23 S CA -0.849 57.379 58.200 0.047 0.000 0.887 23 S CB 0.985 64.204 63.200 0.033 0.000 1.095 23 S HN 0.618 nan 8.310 nan 0.000 0.476 24 L N 1.528 122.772 121.223 0.035 0.000 2.416 24 L HA 0.470 4.810 4.340 -0.000 0.000 0.262 24 L C 1.695 178.574 176.870 0.016 0.000 1.093 24 L CA -0.696 54.162 54.840 0.029 0.000 0.801 24 L CB 0.478 42.565 42.059 0.046 0.000 1.191 24 L HN 0.920 nan 8.230 nan 0.000 0.459 25 A N 1.444 124.273 122.820 0.014 0.000 1.978 25 A HA -0.204 4.116 4.320 -0.000 0.000 0.220 25 A C 1.565 179.145 177.584 -0.007 0.000 1.170 25 A CA 1.964 54.005 52.037 0.006 0.000 0.636 25 A CB -0.820 18.186 19.000 0.010 0.000 0.810 25 A HN 0.931 nan 8.150 nan 0.000 0.448 26 N N -1.262 117.430 118.700 -0.013 0.000 2.461 26 N HA 0.251 4.990 4.740 -0.000 0.000 0.188 26 N C 0.985 176.435 175.510 -0.100 0.000 1.134 26 N CA 1.268 54.283 53.050 -0.058 0.000 0.878 26 N CB -0.252 38.194 38.487 -0.069 0.000 0.972 26 N HN 0.787 nan 8.380 nan 0.000 0.456 27 G N -0.750 108.015 108.800 -0.059 0.000 2.195 27 G HA2 -0.243 3.716 3.960 -0.000 0.000 0.224 27 G HA3 -0.243 3.716 3.960 -0.000 0.000 0.224 27 G C -0.339 174.528 174.900 -0.054 0.000 0.990 27 G CA 0.044 45.103 45.100 -0.068 0.000 0.639 27 G HN 0.439 nan 8.290 nan 0.000 0.514 28 L N 2.192 123.395 121.223 -0.034 0.000 2.477 28 L HA 0.516 4.855 4.340 -0.000 0.000 0.272 28 L C 0.628 177.532 176.870 0.057 0.000 1.157 28 L CA 0.103 54.956 54.840 0.021 0.000 0.889 28 L CB 0.215 42.330 42.059 0.092 0.000 1.158 28 L HN 0.198 nan 8.230 nan 0.000 0.473 29 K N 4.103 124.544 120.400 0.068 0.000 2.234 29 K HA 0.466 4.786 4.320 -0.000 0.000 0.282 29 K C -1.046 175.633 176.600 0.132 0.000 1.039 29 K CA -0.611 55.729 56.287 0.088 0.000 0.928 29 K CB 1.401 33.950 32.500 0.082 0.000 1.039 29 K HN 0.412 nan 8.250 nan 0.000 0.470 30 V N 2.457 122.455 119.914 0.140 0.000 2.409 30 V HA 0.517 4.637 4.120 -0.000 0.000 0.291 30 V C -0.514 175.710 176.094 0.217 0.000 1.020 30 V CA -0.796 61.615 62.300 0.184 0.000 0.848 30 V CB 1.321 33.199 31.823 0.091 0.000 0.990 30 V HN 0.889 nan 8.190 nan 0.000 0.430 31 A N 3.788 126.780 122.820 0.286 0.000 2.371 31 A HA 0.944 5.263 4.320 -0.000 0.000 0.311 31 A C -0.062 177.748 177.584 0.376 0.000 1.068 31 A CA -0.498 51.714 52.037 0.293 0.000 0.744 31 A CB 1.713 20.918 19.000 0.342 0.000 1.239 31 A HN 0.866 nan 8.150 nan 0.000 0.435 32 T N -0.574 114.176 114.554 0.325 0.000 2.893 32 T HA 0.866 5.216 4.350 -0.000 0.000 0.291 32 T C -0.147 174.728 174.700 0.292 0.000 1.028 32 T CA -0.138 62.159 62.100 0.328 0.000 0.995 32 T CB 1.528 70.564 68.868 0.280 0.000 1.051 32 T HN 1.587 nan 8.240 nan 0.000 0.470 33 S N 1.578 117.439 115.700 0.270 0.000 2.671 33 S HA 0.730 5.200 4.470 -0.000 0.000 0.277 33 S C -0.414 174.276 174.600 0.151 0.000 1.165 33 S CA -0.934 57.410 58.200 0.241 0.000 0.822 33 S CB 1.255 64.626 63.200 0.284 0.000 1.150 33 S HN 1.183 nan 8.310 nan 0.000 0.479 34 N N -0.287 118.481 118.700 0.113 0.000 6.352 34 N HA -0.177 4.563 4.740 -0.000 0.000 0.401 34 N C -0.457 175.081 175.510 0.047 0.000 0.961 34 N CA 1.588 54.676 53.050 0.064 0.000 1.984 34 N CB -0.790 37.724 38.487 0.045 0.000 0.720 34 N HN 1.227 nan 8.380 nan 0.000 0.534 35 T N -1.708 112.854 114.554 0.014 0.000 2.949 35 T HA 0.693 5.043 4.350 -0.000 0.000 0.287 35 T C -2.687 172.000 174.700 -0.022 0.000 1.034 35 T CA -1.330 60.771 62.100 0.001 0.000 1.018 35 T CB 1.562 70.425 68.868 -0.008 0.000 1.135 35 T HN 0.343 nan 8.240 nan 0.000 0.532 36 P HA 0.369 nan 4.420 nan 0.000 0.263 36 P C 0.119 177.357 177.300 -0.103 0.000 1.175 36 P CA 0.396 63.472 63.100 -0.040 0.000 0.761 36 P CB 0.181 31.868 31.700 -0.022 0.000 0.794 37 G N 0.899 109.616 108.800 -0.139 0.000 3.135 37 G HA2 0.168 4.128 3.960 -0.000 0.000 0.278 37 G HA3 0.168 4.128 3.960 -0.000 0.000 0.278 37 G C 0.346 175.094 174.900 -0.253 0.000 1.302 37 G CA -0.259 44.671 45.100 -0.283 0.000 0.880 37 G HN 0.478 nan 8.290 nan 0.000 0.574 38 H N -0.794 118.199 119.070 -0.129 0.000 2.491 38 H HA 0.104 4.660 4.556 -0.001 0.000 0.290 38 H C 0.488 175.935 175.328 0.198 0.000 1.050 38 H CA 1.543 57.612 56.048 0.036 0.000 1.309 38 H CB -0.098 29.721 29.762 0.094 0.000 1.392 38 H HN 0.352 nan 8.280 nan 0.000 0.554 39 F N -2.217 117.848 119.950 0.191 0.000 2.779 39 F HA 0.647 5.174 4.527 -0.000 0.000 0.316 39 F C -0.801 175.047 175.800 0.080 0.000 1.164 39 F CA -1.430 56.646 58.000 0.127 0.000 0.924 39 F CB 1.055 40.059 39.000 0.007 0.000 1.348 39 F HN -0.341 nan 8.300 nan 0.000 0.467 40 S N -0.057 115.872 115.700 0.382 0.000 2.715 40 S HA 0.972 5.442 4.470 -0.000 0.000 0.307 40 S C -1.009 173.781 174.600 0.316 0.000 1.119 40 S CA -0.461 57.898 58.200 0.264 0.000 0.937 40 S CB 1.711 65.040 63.200 0.216 0.000 1.150 40 S HN 1.113 nan 8.310 nan 0.000 0.521 41 A N 1.118 124.084 122.820 0.242 0.000 2.414 41 A HA 0.911 5.230 4.320 -0.000 0.000 0.306 41 A C -1.073 176.603 177.584 0.154 0.000 1.054 41 A CA -0.829 51.327 52.037 0.200 0.000 0.724 41 A CB 0.829 19.951 19.000 0.204 0.000 1.267 41 A HN 1.084 nan 8.150 nan 0.000 0.418 42 L N -0.875 120.395 121.223 0.078 0.000 2.671 42 L HA 1.058 5.397 4.340 -0.000 0.000 0.259 42 L C -0.309 176.517 176.870 -0.073 0.000 1.021 42 L CA -0.501 54.285 54.840 -0.090 0.000 0.871 42 L CB 1.923 43.886 42.059 -0.160 0.000 1.472 42 L HN 1.501 nan 8.230 nan 0.000 0.410 43 G N 0.935 109.640 108.800 -0.159 0.000 2.556 43 G HA2 0.502 4.462 3.960 -0.000 0.000 0.294 43 G HA3 0.502 4.462 3.960 -0.000 0.000 0.294 43 G C -2.036 172.744 174.900 -0.200 0.000 1.516 43 G CA -0.916 44.095 45.100 -0.149 0.000 0.824 43 G HN 0.662 nan 8.290 nan 0.000 0.535 44 L N 0.785 121.829 121.223 -0.299 0.000 2.282 44 L HA 0.527 4.867 4.340 -0.000 0.000 0.288 44 L C -1.004 175.642 176.870 -0.373 0.000 1.033 44 L CA -0.870 53.863 54.840 -0.178 0.000 0.807 44 L CB 1.293 43.251 42.059 -0.169 0.000 1.209 44 L HN 0.503 nan 8.230 nan 0.000 0.423 45 Y N 3.819 124.149 120.300 0.050 0.000 2.328 45 Y HA 0.524 5.073 4.550 -0.000 0.000 0.333 45 Y C 0.094 176.006 175.900 0.020 0.000 0.958 45 Y CA -0.559 57.570 58.100 0.048 0.000 1.167 45 Y CB 1.315 39.794 38.460 0.031 0.000 1.151 45 Y HN 0.354 nan 8.280 nan 0.000 0.470 46 I N 2.614 123.234 120.570 0.084 0.000 2.460 46 I HA 0.179 4.349 4.170 -0.000 0.000 0.298 46 I C -0.250 175.876 176.117 0.016 0.000 0.989 46 I CA -0.788 60.507 61.300 -0.008 0.000 1.173 46 I CB 1.530 39.424 38.000 -0.176 0.000 1.338 46 I HN 0.524 nan 8.210 nan 0.000 0.456 47 D N 5.589 125.981 120.400 -0.013 0.000 2.558 47 D HA 0.495 5.135 4.640 -0.000 0.000 0.221 47 D C -0.265 175.942 176.300 -0.154 0.000 1.143 47 D CA 0.137 54.124 54.000 -0.021 0.000 1.010 47 D CB 0.188 40.965 40.800 -0.037 0.000 1.068 47 D HN 0.638 nan 8.370 nan 0.000 0.511 48 A N 0.984 123.766 122.820 -0.063 0.000 2.681 48 A HA 1.021 5.341 4.320 -0.000 0.000 0.278 48 A C 0.287 177.985 177.584 0.190 0.000 1.272 48 A CA -0.197 51.732 52.037 -0.180 0.000 0.750 48 A CB 1.218 20.089 19.000 -0.215 0.000 1.351 48 A HN 0.721 nan 8.150 nan 0.000 0.514 49 G N -2.139 106.777 108.800 0.193 0.000 2.347 49 G HA2 0.452 4.411 3.960 -0.000 0.000 0.477 49 G HA3 0.452 4.411 3.960 -0.000 0.000 0.477 49 G C 0.546 175.463 174.900 0.028 0.000 1.349 49 G CA 0.594 45.751 45.100 0.095 0.000 1.000 49 G HN 1.983 nan 8.290 nan 0.000 0.605 50 S N -0.502 115.152 115.700 -0.076 0.000 2.442 50 S HA -0.165 4.305 4.470 -0.000 0.000 0.236 50 S C 2.064 176.539 174.600 -0.208 0.000 1.007 50 S CA 1.624 59.764 58.200 -0.101 0.000 0.965 50 S CB -0.292 62.829 63.200 -0.133 0.000 0.773 50 S HN 1.242 nan 8.310 nan 0.000 0.504 51 R N 0.100 120.343 120.500 -0.428 0.000 2.328 51 R HA 0.078 4.417 4.340 -0.000 0.000 0.207 51 R C 0.419 176.340 176.300 -0.633 0.000 1.056 51 R CA 1.011 56.745 56.100 -0.609 0.000 1.016 51 R CB -0.575 29.213 30.300 -0.853 0.000 0.872 51 R HN 0.510 nan 8.270 nan 0.000 0.471 52 F N 0.542 120.430 119.950 -0.103 0.000 2.661 52 F HA 0.359 4.886 4.527 -0.001 0.000 0.306 52 F C 1.156 176.992 175.800 0.060 0.000 1.094 52 F CA -0.651 57.316 58.000 -0.056 0.000 1.254 52 F CB 0.512 39.349 39.000 -0.271 0.000 1.040 52 F HN 0.004 nan 8.300 nan 0.000 0.562 53 E N 0.624 120.931 120.200 0.179 0.000 2.285 53 E HA 0.162 4.512 4.350 -0.000 0.000 0.194 53 E C 1.817 178.514 176.600 0.162 0.000 0.997 53 E CA 0.507 57.042 56.400 0.225 0.000 0.845 53 E CB -0.114 29.669 29.700 0.138 0.000 0.782 53 E HN 0.392 nan 8.360 nan 0.000 0.491 54 G N 1.307 110.170 108.800 0.105 0.000 2.575 54 G HA2 -0.383 3.576 3.960 -0.000 0.000 0.267 54 G HA3 -0.383 3.576 3.960 -0.000 0.000 0.267 54 G C 0.419 175.345 174.900 0.042 0.000 1.264 54 G CA 0.415 45.560 45.100 0.076 0.000 0.935 54 G HN 0.276 nan 8.290 nan 0.000 0.568 55 R N 0.052 120.571 120.500 0.032 0.000 2.254 55 R HA 0.146 4.486 4.340 -0.000 0.000 0.193 55 R C 2.464 178.750 176.300 -0.024 0.000 0.929 55 R CA 0.870 56.973 56.100 0.005 0.000 1.038 55 R CB -0.103 30.201 30.300 0.007 0.000 1.009 55 R HN 0.530 nan 8.270 nan 0.000 0.512 56 N N 0.409 119.104 118.700 -0.009 0.000 2.216 56 N HA -0.059 4.681 4.740 -0.000 0.000 0.183 56 N C 0.961 176.357 175.510 -0.190 0.000 1.017 56 N CA 0.947 53.951 53.050 -0.077 0.000 0.861 56 N CB 0.182 38.689 38.487 0.034 0.000 0.986 56 N HN 0.095 nan 8.380 nan 0.000 0.428 57 L N -0.102 121.107 121.223 -0.023 0.000 2.700 57 L HA 0.243 4.583 4.340 -0.000 0.000 0.234 57 L C 0.176 177.051 176.870 0.008 0.000 1.156 57 L CA -0.417 54.441 54.840 0.029 0.000 0.946 57 L CB 0.039 42.268 42.059 0.283 0.000 1.216 57 L HN -0.038 nan 8.230 nan 0.000 0.493 58 K N 1.723 122.105 120.400 -0.031 0.000 2.473 58 K HA 0.091 4.411 4.320 -0.000 0.000 0.277 58 K C 1.137 177.715 176.600 -0.037 0.000 1.052 58 K CA 1.105 57.377 56.287 -0.026 0.000 1.114 58 K CB -0.078 32.402 32.500 -0.034 0.000 0.869 58 K HN 0.331 nan 8.250 nan 0.000 0.481 59 G N 2.659 111.443 108.800 -0.028 0.000 2.213 59 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.236 59 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.236 59 G C 1.425 176.298 174.900 -0.045 0.000 0.991 59 G CA 0.132 45.221 45.100 -0.019 0.000 0.629 59 G HN 0.640 nan 8.290 nan 0.000 0.517 60 C N 1.002 120.234 119.300 -0.113 0.000 2.429 60 C HA 0.045 4.505 4.460 -0.000 0.000 0.277 60 C C 3.064 177.809 174.990 -0.409 0.000 1.262 60 C CA 2.192 61.053 59.018 -0.261 0.000 1.733 60 C CB -1.312 26.225 27.740 -0.338 0.000 2.010 60 C HN 0.664 nan 8.230 nan 0.000 0.483 61 T N -0.567 113.745 114.554 -0.404 0.000 2.699 61 T HA -0.254 4.095 4.350 -0.000 0.000 0.268 61 T C 1.619 176.266 174.700 -0.090 0.000 1.036 61 T CA 2.209 64.149 62.100 -0.268 0.000 1.147 61 T CB -0.504 68.333 68.868 -0.052 0.000 0.862 61 T HN 0.676 nan 8.240 nan 0.000 0.446 62 H N 1.088 120.074 119.070 -0.140 0.000 2.299 62 H HA 0.055 4.611 4.556 -0.001 0.000 0.302 62 H C 2.094 177.368 175.328 -0.090 0.000 1.078 62 H CA 1.140 57.128 56.048 -0.100 0.000 1.323 62 H CB -0.495 29.218 29.762 -0.081 0.000 1.381 62 H HN 0.142 nan 8.280 nan 0.000 0.498 63 I N 0.412 120.892 120.570 -0.150 0.000 2.264 63 I HA -0.248 3.922 4.170 -0.000 0.000 0.248 63 I C 2.455 178.466 176.117 -0.176 0.000 1.111 63 I CA 1.081 62.264 61.300 -0.194 0.000 1.382 63 I CB -1.012 36.928 38.000 -0.101 0.000 1.060 63 I HN 0.342 nan 8.210 nan 0.000 0.418 64 L N 0.724 121.853 121.223 -0.157 0.000 2.093 64 L HA -0.233 4.107 4.340 -0.000 0.000 0.208 64 L C 2.221 179.048 176.870 -0.072 0.000 1.085 64 L CA 1.822 56.600 54.840 -0.102 0.000 0.755 64 L CB -0.572 41.438 42.059 -0.083 0.000 0.904 64 L HN 0.330 nan 8.230 nan 0.000 0.435 65 D N -0.538 119.792 120.400 -0.116 0.000 2.224 65 D HA -0.225 4.414 4.640 -0.000 0.000 0.205 65 D C 2.148 178.362 176.300 -0.142 0.000 0.965 65 D CA 0.813 54.728 54.000 -0.141 0.000 0.852 65 D CB -0.002 40.712 40.800 -0.143 0.000 0.947 65 D HN -0.068 nan 8.370 nan 0.000 0.494 66 R N -0.914 119.457 120.500 -0.214 0.000 2.275 66 R HA 0.238 4.577 4.340 -0.000 0.000 0.199 66 R C 1.093 177.346 176.300 -0.078 0.000 0.989 66 R CA 0.263 56.253 56.100 -0.183 0.000 1.016 66 R CB -0.198 29.912 30.300 -0.318 0.000 0.918 66 R HN 0.198 nan 8.270 nan 0.000 0.473 67 L N -0.371 120.813 121.223 -0.065 0.000 2.607 67 L HA 0.453 4.793 4.340 -0.000 0.000 0.228 67 L C 0.080 176.962 176.870 0.020 0.000 1.123 67 L CA -0.113 54.712 54.840 -0.025 0.000 0.890 67 L CB -0.366 41.663 42.059 -0.050 0.000 1.103 67 L HN 0.038 nan 8.230 nan 0.000 0.468 68 A N -1.303 121.547 122.820 0.050 0.000 2.425 68 A HA 0.302 4.622 4.320 -0.000 0.000 0.242 68 A C 0.328 178.024 177.584 0.187 0.000 1.077 68 A CA -0.107 51.966 52.037 0.060 0.000 0.781 68 A CB -0.501 18.551 19.000 0.086 0.000 1.020 68 A HN 0.340 nan 8.150 nan 0.000 0.494 69 F N -1.189 118.834 119.950 0.121 0.000 3.093 69 F HA -0.219 4.307 4.527 -0.001 0.000 0.287 69 F C 1.060 176.877 175.800 0.028 0.000 0.882 69 F CA 1.402 59.430 58.000 0.047 0.000 1.063 69 F CB -1.639 37.389 39.000 0.047 0.000 1.097 69 F HN 0.556 nan 8.300 nan 0.000 0.604 70 K N 0.188 120.663 120.400 0.124 0.000 2.720 70 K HA 0.597 4.917 4.320 -0.000 0.000 0.281 70 K C 0.826 177.453 176.600 0.044 0.000 1.019 70 K CA 0.069 56.403 56.287 0.079 0.000 1.088 70 K CB 0.105 32.631 32.500 0.045 0.000 1.449 70 K HN 0.115 nan 8.250 nan 0.000 0.542 71 S N 0.261 115.974 115.700 0.023 0.000 2.568 71 S HA 0.165 4.635 4.470 -0.000 0.000 0.282 71 S C 0.406 175.004 174.600 -0.004 0.000 1.338 71 S CA -0.309 57.895 58.200 0.008 0.000 1.045 71 S CB 0.077 63.275 63.200 -0.003 0.000 0.873 71 S HN 0.612 nan 8.310 nan 0.000 0.516 72 T N -1.156 113.394 114.554 -0.008 0.000 2.864 72 T HA 0.492 4.842 4.350 -0.000 0.000 0.289 72 T C 0.601 175.254 174.700 -0.077 0.000 1.082 72 T CA -0.890 61.206 62.100 -0.008 0.000 1.009 72 T CB 1.162 70.056 68.868 0.044 0.000 1.234 72 T HN 0.420 nan 8.240 nan 0.000 0.526 73 E N 0.457 120.567 120.200 -0.150 0.000 2.130 73 E HA -0.150 4.200 4.350 -0.000 0.000 0.196 73 E C 1.368 177.613 176.600 -0.591 0.000 0.998 73 E CA 1.871 58.013 56.400 -0.431 0.000 0.806 73 E CB -0.307 28.969 29.700 -0.707 0.000 0.738 73 E HN 0.823 nan 8.360 nan 0.000 0.459 74 H N -1.885 117.110 119.070 -0.125 0.000 2.652 74 H HA 0.254 4.809 4.556 -0.000 0.000 0.274 74 H C -0.287 175.004 175.328 -0.061 0.000 1.021 74 H CA -0.175 55.804 56.048 -0.115 0.000 1.187 74 H CB 1.051 30.718 29.762 -0.159 0.000 1.505 74 H HN -0.185 nan 8.280 nan 0.000 0.530 75 V N 1.477 121.409 119.914 0.030 0.000 2.577 75 V HA 0.139 4.258 4.120 -0.000 0.000 0.303 75 V C -0.155 175.941 176.094 0.004 0.000 1.042 75 V CA -1.152 61.162 62.300 0.023 0.000 0.872 75 V CB 2.444 34.285 31.823 0.031 0.000 0.998 75 V HN 0.153 nan 8.190 nan 0.000 0.423 76 E N 2.359 122.560 120.200 0.001 0.000 2.398 76 E HA 0.149 4.499 4.350 -0.000 0.000 0.263 76 E C 1.388 177.992 176.600 0.007 0.000 1.046 76 E CA 0.715 57.114 56.400 -0.001 0.000 0.908 76 E CB 1.460 31.160 29.700 -0.001 0.000 0.963 76 E HN 0.836 nan 8.360 nan 0.000 0.431 77 G N 3.291 112.095 108.800 0.008 0.000 2.529 77 G HA2 -0.358 3.601 3.960 -0.000 0.000 0.219 77 G HA3 -0.358 3.601 3.960 -0.000 0.000 0.219 77 G C 1.514 176.427 174.900 0.021 0.000 1.177 77 G CA 1.218 46.329 45.100 0.018 0.000 0.773 77 G HN 0.514 nan 8.290 nan 0.000 0.573 78 R N 0.503 121.011 120.500 0.014 0.000 2.073 78 R HA 0.028 4.368 4.340 -0.000 0.000 0.234 78 R C 2.959 179.266 176.300 0.011 0.000 1.134 78 R CA 1.498 57.606 56.100 0.013 0.000 0.952 78 R CB -0.455 29.851 30.300 0.009 0.000 0.850 78 R HN 0.301 nan 8.270 nan 0.000 0.433 79 A N 0.787 123.612 122.820 0.008 0.000 1.940 79 A HA -0.240 4.080 4.320 -0.000 0.000 0.219 79 A C 2.080 179.664 177.584 0.000 0.000 1.176 79 A CA 1.744 53.783 52.037 0.004 0.000 0.631 79 A CB -0.519 18.484 19.000 0.004 0.000 0.814 79 A HN 0.473 nan 8.150 nan 0.000 0.446 80 M N 0.229 119.833 119.600 0.008 0.000 2.086 80 M HA -0.024 4.456 4.480 -0.000 0.000 0.261 80 M C 2.163 178.453 176.300 -0.018 0.000 1.067 80 M CA 1.871 57.175 55.300 0.007 0.000 1.116 80 M CB -0.703 31.923 32.600 0.042 0.000 1.348 80 M HN 0.364 nan 8.290 nan 0.000 0.407 81 A N -0.134 122.689 122.820 0.006 0.000 1.845 81 A HA -0.209 4.111 4.320 -0.000 0.000 0.215 81 A C 2.051 179.633 177.584 -0.003 0.000 1.195 81 A CA 2.106 54.149 52.037 0.010 0.000 0.616 81 A CB -1.130 17.891 19.000 0.034 0.000 0.832 81 A HN 0.678 nan 8.150 nan 0.000 0.443 82 E N -0.874 119.327 120.200 0.002 0.000 2.160 82 E HA -0.139 4.211 4.350 -0.000 0.000 0.195 82 E C 1.955 178.549 176.600 -0.010 0.000 0.991 82 E CA 1.570 57.971 56.400 0.001 0.000 0.810 82 E CB -0.300 29.403 29.700 0.004 0.000 0.742 82 E HN 0.644 nan 8.360 nan 0.000 0.466 83 T N 1.062 115.601 114.554 -0.025 0.000 2.942 83 T HA -0.010 4.339 4.350 -0.000 0.000 0.265 83 T C 1.917 176.577 174.700 -0.067 0.000 1.062 83 T CA 0.460 62.539 62.100 -0.035 0.000 1.139 83 T CB -0.008 68.837 68.868 -0.038 0.000 0.883 83 T HN 0.078 nan 8.240 nan 0.000 0.468 84 L N 0.741 121.890 121.223 -0.123 0.000 2.093 84 L HA -0.044 4.295 4.340 -0.000 0.000 0.208 84 L C 2.750 179.590 176.870 -0.050 0.000 1.085 84 L CA 1.235 55.942 54.840 -0.221 0.000 0.755 84 L CB -0.474 41.265 42.059 -0.533 0.000 0.904 84 L HN 0.302 nan 8.230 nan 0.000 0.435 85 E N 0.303 120.504 120.200 0.002 0.000 2.058 85 E HA -0.223 4.127 4.350 -0.000 0.000 0.194 85 E C 2.148 178.768 176.600 0.033 0.000 0.997 85 E CA 1.132 57.554 56.400 0.037 0.000 0.801 85 E CB -0.169 29.548 29.700 0.029 0.000 0.746 85 E HN 0.485 nan 8.360 nan 0.000 0.450 86 L N 0.774 122.009 121.223 0.020 0.000 2.633 86 L HA -0.084 4.256 4.340 -0.000 0.000 0.235 86 L C 1.655 178.557 176.870 0.054 0.000 1.163 86 L CA 0.328 55.188 54.840 0.032 0.000 0.859 86 L CB -0.101 41.971 42.059 0.021 0.000 0.973 86 L HN 0.125 nan 8.230 nan 0.000 0.451 87 L N -0.873 120.376 121.223 0.043 0.000 2.769 87 L HA 0.308 4.648 4.340 -0.000 0.000 0.240 87 L C 1.397 178.311 176.870 0.073 0.000 1.163 87 L CA 0.366 55.247 54.840 0.067 0.000 0.962 87 L CB 0.220 42.285 42.059 0.009 0.000 1.258 87 L HN 0.350 nan 8.230 nan 0.000 0.513 88 G N -0.474 108.373 108.800 0.079 0.000 2.213 88 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.236 88 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.236 88 G C 0.973 175.887 174.900 0.024 0.000 0.991 88 G CA -0.090 45.041 45.100 0.051 0.000 0.629 88 G HN 0.564 nan 8.290 nan 0.000 0.517 89 G N -0.186 108.660 108.800 0.076 0.000 2.296 89 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.282 89 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.282 89 G C 0.179 175.114 174.900 0.057 0.000 1.014 89 G CA 1.148 46.354 45.100 0.176 0.000 0.812 89 G HN 1.642 nan 8.290 nan 0.000 0.508 90 N N 0.265 118.979 118.700 0.023 0.000 3.229 90 N HA 0.507 5.246 4.740 -0.000 0.000 0.275 90 N C -0.269 175.215 175.510 -0.043 0.000 1.225 90 N CA -0.640 52.350 53.050 -0.100 0.000 1.119 90 N CB -0.207 38.184 38.487 -0.160 0.000 1.392 90 N HN 0.633 nan 8.380 nan 0.000 0.520 91 Y N -0.748 119.441 120.300 -0.186 0.000 2.615 91 Y HA 0.656 5.205 4.550 -0.001 0.000 0.341 91 Y C -1.144 174.654 175.900 -0.171 0.000 1.089 91 Y CA -1.226 56.753 58.100 -0.203 0.000 1.049 91 Y CB 0.927 39.162 38.460 -0.374 0.000 1.296 91 Y HN 0.290 nan 8.280 nan 0.000 0.470 92 Q N 0.852 120.644 119.800 -0.013 0.000 2.647 92 Q HA 0.600 4.940 4.340 -0.000 0.000 0.283 92 Q C -2.181 173.905 176.000 0.143 0.000 0.943 92 Q CA -0.909 54.882 55.803 -0.019 0.000 0.813 92 Q CB 1.952 30.616 28.738 -0.123 0.000 1.477 92 Q HN 1.067 nan 8.270 nan 0.000 0.393 93 C N 1.964 121.308 119.300 0.074 0.000 2.396 93 C HA 0.959 5.418 4.460 -0.000 0.000 0.321 93 C C -0.583 174.307 174.990 -0.167 0.000 1.233 93 C CA 0.703 59.616 59.018 -0.175 0.000 1.440 93 C CB 0.801 28.326 27.740 -0.358 0.000 2.110 93 C HN 0.888 nan 8.230 nan 0.000 0.473 94 T N 2.296 116.740 114.554 -0.185 0.000 2.841 94 T HA 0.907 5.257 4.350 -0.000 0.000 0.296 94 T C -0.620 174.023 174.700 -0.095 0.000 1.166 94 T CA -0.347 61.694 62.100 -0.099 0.000 1.007 94 T CB 1.608 70.445 68.868 -0.051 0.000 1.253 94 T HN 1.283 nan 8.240 nan 0.000 0.511 95 S N -0.146 115.531 115.700 -0.038 0.000 2.607 95 S HA 0.866 5.336 4.470 -0.000 0.000 0.273 95 S C -0.405 174.186 174.600 -0.016 0.000 1.148 95 S CA -0.372 57.816 58.200 -0.019 0.000 0.833 95 S CB 1.643 64.840 63.200 -0.005 0.000 1.130 95 S HN 1.386 nan 8.310 nan 0.000 0.470 96 S N -0.052 115.637 115.700 -0.019 0.000 3.132 96 S HA 0.498 4.967 4.470 -0.000 0.000 0.322 96 S C 0.673 175.219 174.600 -0.089 0.000 1.124 96 S CA -0.816 57.354 58.200 -0.050 0.000 0.906 96 S CB 0.731 63.925 63.200 -0.010 0.000 1.349 96 S HN 0.760 nan 8.310 nan 0.000 0.686 97 R N 0.399 120.811 120.500 -0.146 0.000 2.115 97 R HA 0.173 4.512 4.340 -0.000 0.000 0.226 97 R C 0.953 177.102 176.300 -0.251 0.000 1.100 97 R CA 1.251 57.198 56.100 -0.255 0.000 0.980 97 R CB -0.170 29.887 30.300 -0.405 0.000 0.875 97 R HN 0.617 nan 8.270 nan 0.000 0.445 98 E N 0.484 120.612 120.200 -0.120 0.000 2.660 98 E HA 0.089 4.439 4.350 -0.000 0.000 0.216 98 E C -0.657 175.991 176.600 0.080 0.000 0.986 98 E CA -0.239 56.136 56.400 -0.041 0.000 1.037 98 E CB 0.490 30.206 29.700 0.026 0.000 1.041 98 E HN 0.338 nan 8.360 nan 0.000 0.480 99 N N 0.398 119.137 118.700 0.065 0.000 2.823 99 N HA 0.302 5.042 4.740 -0.000 0.000 0.251 99 N C -1.657 173.888 175.510 0.059 0.000 1.392 99 N CA -0.762 52.342 53.050 0.090 0.000 0.864 99 N CB 1.966 40.517 38.487 0.108 0.000 1.481 99 N HN -0.069 nan 8.380 nan 0.000 0.508 100 L N 0.540 121.794 121.223 0.052 0.000 2.476 100 L HA 0.631 4.971 4.340 -0.000 0.000 0.269 100 L C -1.415 175.430 176.870 -0.041 0.000 0.965 100 L CA -0.314 54.523 54.840 -0.004 0.000 0.845 100 L CB 1.429 43.513 42.059 0.041 0.000 1.259 100 L HN 0.808 nan 8.230 nan 0.000 0.403 101 M N 3.457 122.963 119.600 -0.155 0.000 2.484 101 M HA 0.569 5.048 4.480 -0.000 0.000 0.289 101 M C -1.813 174.284 176.300 -0.339 0.000 1.206 101 M CA -0.714 54.448 55.300 -0.230 0.000 0.892 101 M CB 2.387 34.872 32.600 -0.192 0.000 1.712 101 M HN 0.398 nan 8.290 nan 0.000 0.462 102 Y N 1.253 121.371 120.300 -0.304 0.000 2.338 102 Y HA 0.531 5.081 4.550 -0.001 0.000 0.328 102 Y C -0.445 175.366 175.900 -0.149 0.000 0.965 102 Y CA -0.500 57.541 58.100 -0.099 0.000 1.208 102 Y CB 1.571 39.984 38.460 -0.078 0.000 1.132 102 Y HN 0.644 nan 8.280 nan 0.000 0.469 103 Q N 1.974 121.823 119.800 0.083 0.000 2.528 103 Q HA 1.003 5.343 4.340 -0.000 0.000 0.289 103 Q C -1.342 174.722 176.000 0.106 0.000 1.091 103 Q CA -1.710 54.123 55.803 0.050 0.000 0.797 103 Q CB 3.250 32.014 28.738 0.044 0.000 1.466 103 Q HN 0.650 nan 8.270 nan 0.000 0.436 104 A N 0.641 123.509 122.820 0.079 0.000 2.569 104 A HA 0.602 4.922 4.320 -0.000 0.000 0.292 104 A C -1.479 176.131 177.584 0.044 0.000 1.032 104 A CA -0.538 51.537 52.037 0.062 0.000 0.669 104 A CB 1.325 20.379 19.000 0.090 0.000 1.290 104 A HN 0.766 nan 8.150 nan 0.000 0.422 105 S N 0.021 115.712 115.700 -0.014 0.000 2.500 105 S HA 0.881 5.351 4.470 -0.000 0.000 0.301 105 S C -0.223 174.288 174.600 -0.149 0.000 1.092 105 S CA 0.002 58.187 58.200 -0.026 0.000 1.030 105 S CB 1.045 64.195 63.200 -0.083 0.000 1.031 105 S HN 2.269 nan 8.310 nan 0.000 0.483 106 V N -0.674 119.189 119.914 -0.085 0.000 3.181 106 V HA 0.755 4.875 4.120 -0.000 0.000 0.308 106 V C -0.928 175.096 176.094 -0.116 0.000 1.214 106 V CA -1.456 60.744 62.300 -0.167 0.000 1.053 106 V CB 0.668 32.491 31.823 -0.001 0.000 1.069 106 V HN 0.757 nan 8.190 nan 0.000 0.441 107 F N 2.343 122.358 119.950 0.108 0.000 2.529 107 F HA 0.335 4.862 4.527 -0.001 0.000 0.365 107 F C 2.022 177.912 175.800 0.149 0.000 1.102 107 F CA 0.073 58.163 58.000 0.150 0.000 1.271 107 F CB 0.006 39.065 39.000 0.098 0.000 1.120 107 F HN 0.608 nan 8.300 nan 0.000 0.579 108 N N 1.877 120.785 118.700 0.348 0.000 2.111 108 N HA -0.276 4.464 4.740 -0.000 0.000 0.197 108 N C 1.854 177.472 175.510 0.181 0.000 1.011 108 N CA 1.892 55.078 53.050 0.227 0.000 0.880 108 N CB -0.340 38.258 38.487 0.186 0.000 1.031 108 N HN 0.696 nan 8.380 nan 0.000 0.444 109 Q N 0.582 120.489 119.800 0.179 0.000 2.436 109 Q HA -0.065 4.275 4.340 -0.000 0.000 0.209 109 Q C -0.163 175.914 176.000 0.130 0.000 0.965 109 Q CA 1.120 57.001 55.803 0.129 0.000 0.910 109 Q CB 0.035 28.834 28.738 0.101 0.000 0.980 109 Q HN 0.282 nan 8.270 nan 0.000 0.491 110 D N 0.758 121.255 120.400 0.161 0.000 2.340 110 D HA 0.089 4.729 4.640 -0.000 0.000 0.217 110 D C 1.683 178.056 176.300 0.121 0.000 1.081 110 D CA -0.029 54.050 54.000 0.132 0.000 0.842 110 D CB 0.549 41.434 40.800 0.143 0.000 0.934 110 D HN 0.026 nan 8.370 nan 0.000 0.511 111 V N 1.244 121.245 119.914 0.146 0.000 2.252 111 V HA -0.244 3.876 4.120 -0.000 0.000 0.249 111 V C 2.634 178.827 176.094 0.165 0.000 1.056 111 V CA 2.346 64.751 62.300 0.175 0.000 1.022 111 V CB -0.945 31.000 31.823 0.204 0.000 0.641 111 V HN 0.301 nan 8.190 nan 0.000 0.445 112 G N -0.419 108.470 108.800 0.149 0.000 2.446 112 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.217 112 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.217 112 G C 1.599 176.539 174.900 0.067 0.000 1.168 112 G CA 1.260 46.461 45.100 0.169 0.000 0.771 112 G HN 0.462 nan 8.290 nan 0.000 0.551 113 K N -0.059 120.366 120.400 0.042 0.000 2.057 113 K HA 0.017 4.336 4.320 -0.000 0.000 0.207 113 K C 2.362 178.920 176.600 -0.071 0.000 1.049 113 K CA 1.404 57.675 56.287 -0.026 0.000 0.931 113 K CB -0.428 32.076 32.500 0.008 0.000 0.714 113 K HN 0.277 nan 8.250 nan 0.000 0.440 114 M N 0.044 119.632 119.600 -0.019 0.000 2.086 114 M HA -0.047 4.433 4.480 -0.000 0.000 0.261 114 M C 1.759 178.035 176.300 -0.041 0.000 1.067 114 M CA 1.345 56.629 55.300 -0.027 0.000 1.116 114 M CB -0.577 32.031 32.600 0.014 0.000 1.348 114 M HN 0.241 nan 8.290 nan 0.000 0.407 115 L N 0.388 121.601 121.223 -0.016 0.000 2.042 115 L HA -0.225 4.115 4.340 -0.000 0.000 0.210 115 L C 2.405 179.124 176.870 -0.251 0.000 1.076 115 L CA 2.341 57.162 54.840 -0.031 0.000 0.749 115 L CB -1.193 40.960 42.059 0.157 0.000 0.893 115 L HN 0.681 nan 8.230 nan 0.000 0.432 116 Q N -0.742 118.725 119.800 -0.555 0.000 2.061 116 Q HA -0.222 4.118 4.340 -0.000 0.000 0.204 116 Q C 2.246 178.025 176.000 -0.369 0.000 0.984 116 Q CA 2.219 57.475 55.803 -0.913 0.000 0.846 116 Q CB -0.278 27.835 28.738 -1.041 0.000 0.902 116 Q HN 0.629 nan 8.270 nan 0.000 0.421 117 L N -0.025 121.073 121.223 -0.207 0.000 2.046 117 L HA -0.208 4.131 4.340 -0.000 0.000 0.208 117 L C 2.713 179.553 176.870 -0.051 0.000 1.077 117 L CA 1.285 56.081 54.840 -0.073 0.000 0.747 117 L CB -0.398 41.653 42.059 -0.014 0.000 0.896 117 L HN 0.403 nan 8.230 nan 0.000 0.432 118 M N -0.952 118.623 119.600 -0.041 0.000 2.202 118 M HA -0.188 4.292 4.480 -0.000 0.000 0.262 118 M C 2.430 178.531 176.300 -0.332 0.000 1.063 118 M CA 1.460 56.664 55.300 -0.161 0.000 1.097 118 M CB -0.353 32.192 32.600 -0.092 0.000 1.382 118 M HN 0.184 nan 8.290 nan 0.000 0.413 119 S N 0.066 115.617 115.700 -0.247 0.000 2.348 119 S HA -0.120 4.350 4.470 -0.000 0.000 0.221 119 S C 1.775 176.230 174.600 -0.241 0.000 1.033 119 S CA 1.037 59.078 58.200 -0.265 0.000 1.010 119 S CB -0.293 62.821 63.200 -0.144 0.000 0.891 119 S HN 0.422 nan 8.310 nan 0.000 0.442 120 E N 0.679 120.828 120.200 -0.085 0.000 2.070 120 E HA -0.163 4.186 4.350 -0.000 0.000 0.197 120 E C 2.302 178.862 176.600 -0.067 0.000 1.004 120 E CA 1.351 57.800 56.400 0.081 0.000 0.805 120 E CB -0.749 29.001 29.700 0.083 0.000 0.744 120 E HN 0.449 nan 8.360 nan 0.000 0.451 121 T N 0.163 114.581 114.554 -0.227 0.000 2.904 121 T HA -0.044 4.306 4.350 -0.000 0.000 0.267 121 T C 1.912 176.400 174.700 -0.353 0.000 1.059 121 T CA 0.789 62.704 62.100 -0.307 0.000 1.137 121 T CB 0.069 68.609 68.868 -0.547 0.000 0.879 121 T HN -0.066 nan 8.240 nan 0.000 0.467 122 V N 0.720 120.346 119.914 -0.481 0.000 2.591 122 V HA 0.096 4.216 4.120 -0.000 0.000 0.249 122 V C 2.580 178.430 176.094 -0.407 0.000 1.053 122 V CA 1.405 63.466 62.300 -0.397 0.000 1.068 122 V CB -0.369 31.114 31.823 -0.566 0.000 0.689 122 V HN 0.348 nan 8.190 nan 0.000 0.462 123 R N -1.462 118.642 120.500 -0.660 0.000 2.195 123 R HA 0.204 4.544 4.340 -0.000 0.000 0.197 123 R C 0.519 176.200 176.300 -1.031 0.000 0.990 123 R CA 0.542 56.018 56.100 -1.039 0.000 1.048 123 R CB 0.294 29.615 30.300 -1.632 0.000 0.997 123 R HN 0.467 nan 8.270 nan 0.000 0.502 124 F N 1.552 121.406 119.950 -0.160 0.000 2.818 124 F HA 0.320 4.847 4.527 -0.000 0.000 0.369 124 F C -2.230 173.496 175.800 -0.123 0.000 1.327 124 F CA -2.687 55.243 58.000 -0.115 0.000 1.211 124 F CB 0.633 39.588 39.000 -0.075 0.000 1.036 124 F HN -0.226 nan 8.300 nan 0.000 0.510 125 P HA 0.044 nan 4.420 nan 0.000 0.268 125 P C 0.393 177.677 177.300 -0.026 0.000 1.204 125 P CA 0.092 63.165 63.100 -0.045 0.000 0.768 125 P CB 1.513 33.155 31.700 -0.097 0.000 0.842 126 K N 2.315 122.701 120.400 -0.023 0.000 2.167 126 K HA 0.086 4.405 4.320 -0.000 0.000 0.203 126 K C 0.778 177.362 176.600 -0.027 0.000 1.052 126 K CA 0.175 56.447 56.287 -0.025 0.000 0.956 126 K CB -0.357 32.126 32.500 -0.028 0.000 0.735 126 K HN 0.475 nan 8.250 nan 0.000 0.451 127 I N 3.218 123.770 120.570 -0.030 0.000 6.399 127 I HA -0.268 3.902 4.170 -0.000 0.000 0.126 127 I C 0.396 176.501 176.117 -0.020 0.000 1.513 127 I CA 0.307 61.590 61.300 -0.029 0.000 2.479 127 I CB -1.880 36.096 38.000 -0.040 0.000 2.875 127 I HN 0.315 nan 8.210 nan 0.000 0.285 128 T N -0.771 113.773 114.554 -0.016 0.000 2.828 128 T HA 0.257 4.607 4.350 -0.000 0.000 0.290 128 T C 1.231 175.925 174.700 -0.010 0.000 1.019 128 T CA -0.297 61.796 62.100 -0.013 0.000 1.031 128 T CB 1.719 70.580 68.868 -0.012 0.000 1.001 128 T HN 0.482 nan 8.240 nan 0.000 0.531 129 E N 0.172 120.368 120.200 -0.008 0.000 2.097 129 E HA -0.256 4.094 4.350 -0.000 0.000 0.196 129 E C 2.141 178.736 176.600 -0.008 0.000 1.000 129 E CA 1.439 57.836 56.400 -0.006 0.000 0.804 129 E CB -0.095 29.602 29.700 -0.005 0.000 0.740 129 E HN 0.791 nan 8.360 nan 0.000 0.454 130 Q N 0.648 120.443 119.800 -0.008 0.000 2.119 130 Q HA -0.189 4.150 4.340 -0.000 0.000 0.201 130 Q C 1.861 177.854 176.000 -0.011 0.000 0.972 130 Q CA 1.192 56.990 55.803 -0.009 0.000 0.847 130 Q CB 0.142 28.875 28.738 -0.007 0.000 0.903 130 Q HN 0.326 nan 8.270 nan 0.000 0.433 131 E N 0.244 120.438 120.200 -0.011 0.000 2.110 131 E HA -0.209 4.141 4.350 -0.000 0.000 0.193 131 E C 2.010 178.598 176.600 -0.019 0.000 0.988 131 E CA 0.922 57.315 56.400 -0.012 0.000 0.804 131 E CB -0.086 29.608 29.700 -0.009 0.000 0.745 131 E HN 0.243 nan 8.360 nan 0.000 0.458 132 L N 1.206 122.418 121.223 -0.019 0.000 2.072 132 L HA -0.149 4.191 4.340 -0.000 0.000 0.205 132 L C 2.339 179.194 176.870 -0.024 0.000 1.079 132 L CA 1.669 56.496 54.840 -0.022 0.000 0.752 132 L CB -0.439 41.613 42.059 -0.013 0.000 0.906 132 L HN -0.034 nan 8.230 nan 0.000 0.436 133 Q N 0.322 120.110 119.800 -0.021 0.000 2.061 133 Q HA -0.230 4.110 4.340 -0.000 0.000 0.204 133 Q C 2.090 178.065 176.000 -0.041 0.000 0.984 133 Q CA 2.184 57.972 55.803 -0.026 0.000 0.846 133 Q CB -0.239 28.487 28.738 -0.021 0.000 0.902 133 Q HN 0.641 nan 8.270 nan 0.000 0.421 134 E N -0.533 119.645 120.200 -0.037 0.000 2.033 134 E HA -0.249 4.101 4.350 -0.000 0.000 0.199 134 E C 2.012 178.577 176.600 -0.058 0.000 1.011 134 E CA 1.376 57.750 56.400 -0.044 0.000 0.815 134 E CB -0.097 29.587 29.700 -0.027 0.000 0.755 134 E HN 0.341 nan 8.360 nan 0.000 0.451 135 Q N 0.824 120.594 119.800 -0.051 0.000 2.135 135 Q HA -0.148 4.192 4.340 -0.000 0.000 0.204 135 Q C 1.961 177.923 176.000 -0.065 0.000 0.981 135 Q CA 1.345 57.111 55.803 -0.062 0.000 0.856 135 Q CB -0.236 28.460 28.738 -0.070 0.000 0.902 135 Q HN 0.238 nan 8.270 nan 0.000 0.425 136 K N 0.253 120.620 120.400 -0.056 0.000 2.002 136 K HA -0.137 4.183 4.320 -0.000 0.000 0.209 136 K C 2.107 178.657 176.600 -0.084 0.000 1.048 136 K CA 0.981 57.239 56.287 -0.048 0.000 0.930 136 K CB -0.351 32.130 32.500 -0.033 0.000 0.714 136 K HN 0.065 nan 8.250 nan 0.000 0.438 137 L N 0.987 122.136 121.223 -0.124 0.000 2.013 137 L HA -0.231 4.109 4.340 -0.000 0.000 0.212 137 L C 2.317 178.975 176.870 -0.353 0.000 1.073 137 L CA 2.012 56.711 54.840 -0.235 0.000 0.753 137 L CB -0.930 41.001 42.059 -0.213 0.000 0.890 137 L HN 0.114 nan 8.230 nan 0.000 0.432 138 S N -0.831 114.737 115.700 -0.219 0.000 2.382 138 S HA -0.142 4.328 4.470 -0.000 0.000 0.228 138 S C 2.149 176.717 174.600 -0.054 0.000 1.027 138 S CA 1.134 59.246 58.200 -0.146 0.000 0.991 138 S CB -0.542 62.622 63.200 -0.059 0.000 0.823 138 S HN 0.694 nan 8.310 nan 0.000 0.469 139 A N 1.116 123.918 122.820 -0.031 0.000 1.933 139 A HA -0.110 4.210 4.320 -0.000 0.000 0.218 139 A C 2.001 179.627 177.584 0.069 0.000 1.175 139 A CA 1.650 53.724 52.037 0.061 0.000 0.628 139 A CB -0.675 18.368 19.000 0.072 0.000 0.814 139 A HN 0.726 nan 8.150 nan 0.000 0.444 140 E N -1.100 119.102 120.200 0.002 0.000 2.051 140 E HA -0.200 4.149 4.350 -0.000 0.000 0.192 140 E C 1.889 178.615 176.600 0.211 0.000 0.991 140 E CA 1.421 57.859 56.400 0.062 0.000 0.799 140 E CB -0.347 29.349 29.700 -0.007 0.000 0.748 140 E HN 0.736 nan 8.360 nan 0.000 0.449 141 Y N 1.211 121.539 120.300 0.046 0.000 2.181 141 Y HA -0.179 4.370 4.550 -0.001 0.000 0.288 141 Y C 2.282 178.211 175.900 0.048 0.000 1.146 141 Y CA 0.989 59.115 58.100 0.042 0.000 1.164 141 Y CB -0.832 37.646 38.460 0.030 0.000 0.982 141 Y HN 0.159 nan 8.280 nan 0.000 0.515 142 E N -0.120 120.209 120.200 0.215 0.000 2.077 142 E HA -0.199 4.150 4.350 -0.000 0.000 0.193 142 E C 1.988 178.651 176.600 0.106 0.000 0.989 142 E CA 1.198 57.679 56.400 0.134 0.000 0.800 142 E CB -0.177 29.602 29.700 0.131 0.000 0.746 142 E HN 0.251 nan 8.360 nan 0.000 0.452 143 I N 1.819 122.469 120.570 0.132 0.000 2.315 143 I HA -0.233 3.937 4.170 -0.000 0.000 0.248 143 I C 1.774 178.048 176.117 0.260 0.000 1.117 143 I CA 1.252 62.652 61.300 0.166 0.000 1.404 143 I CB -0.375 37.740 38.000 0.192 0.000 1.071 143 I HN 0.075 nan 8.210 nan 0.000 0.419 144 D N 0.317 120.846 120.400 0.215 0.000 2.117 144 D HA -0.176 4.464 4.640 -0.000 0.000 0.197 144 D C 2.162 178.562 176.300 0.165 0.000 0.987 144 D CA 1.148 55.264 54.000 0.192 0.000 0.829 144 D CB -0.122 40.760 40.800 0.137 0.000 0.961 144 D HN 0.441 nan 8.370 nan 0.000 0.460 145 E N 0.104 120.371 120.200 0.112 0.000 2.047 145 E HA -0.087 4.262 4.350 -0.000 0.000 0.191 145 E C 2.301 178.932 176.600 0.051 0.000 0.987 145 E CA 0.408 56.846 56.400 0.063 0.000 0.799 145 E CB 0.115 29.834 29.700 0.032 0.000 0.752 145 E HN 0.025 nan 8.360 nan 0.000 0.449 146 V N 0.303 120.229 119.914 0.020 0.000 2.380 146 V HA -0.242 3.878 4.120 -0.000 0.000 0.251 146 V C 1.468 177.496 176.094 -0.110 0.000 1.063 146 V CA 1.640 63.886 62.300 -0.090 0.000 1.055 146 V CB -0.504 31.204 31.823 -0.191 0.000 0.657 146 V HN 0.437 nan 8.190 nan 0.000 0.455 147 W N -0.916 120.374 121.300 -0.016 0.000 2.848 147 W HA 0.050 4.709 4.660 -0.000 0.000 0.241 147 W C 2.095 178.622 176.519 0.013 0.000 1.289 147 W CA 0.537 57.877 57.345 -0.009 0.000 1.396 147 W CB -0.287 29.170 29.460 -0.004 0.000 1.138 147 W HN 0.255 nan 8.180 nan 0.000 0.677 148 M N -0.855 118.849 119.600 0.173 0.000 2.367 148 M HA 0.089 4.568 4.480 -0.000 0.000 0.256 148 M C 0.244 176.598 176.300 0.091 0.000 1.091 148 M CA 0.622 56.015 55.300 0.155 0.000 1.049 148 M CB 0.294 32.965 32.600 0.118 0.000 1.406 148 M HN -0.354 nan 8.290 nan 0.000 0.498 149 K N 1.152 121.560 120.400 0.015 0.000 2.299 149 K HA 0.246 4.565 4.320 -0.000 0.000 0.268 149 K C -2.154 174.407 176.600 -0.065 0.000 1.075 149 K CA -1.590 54.681 56.287 -0.026 0.000 0.936 149 K CB 1.053 33.517 32.500 -0.060 0.000 1.228 149 K HN -0.203 nan 8.250 nan 0.000 0.454 150 P HA -0.226 nan 4.420 nan 0.000 0.216 150 P C 0.318 177.501 177.300 -0.195 0.000 1.150 150 P CA 1.285 64.286 63.100 -0.165 0.000 0.843 150 P CB 0.279 31.795 31.700 -0.306 0.000 0.787 151 E N -0.748 119.366 120.200 -0.144 0.000 2.171 151 E HA -0.173 4.177 4.350 -0.000 0.000 0.197 151 E C 1.807 178.326 176.600 -0.135 0.000 0.997 151 E CA 1.059 57.388 56.400 -0.119 0.000 0.810 151 E CB -0.894 28.761 29.700 -0.075 0.000 0.738 151 E HN 0.301 nan 8.360 nan 0.000 0.467 152 L N -0.369 120.757 121.223 -0.161 0.000 2.262 152 L HA 0.009 4.348 4.340 -0.000 0.000 0.197 152 L C 2.271 178.977 176.870 -0.273 0.000 1.073 152 L CA 0.225 54.940 54.840 -0.208 0.000 0.800 152 L CB -0.324 41.601 42.059 -0.222 0.000 0.987 152 L HN 0.021 nan 8.230 nan 0.000 0.470 153 V N 0.485 120.223 119.914 -0.294 0.000 2.332 153 V HA -0.283 3.837 4.120 -0.000 0.000 0.248 153 V C 2.561 178.515 176.094 -0.233 0.000 1.055 153 V CA 1.360 63.452 62.300 -0.348 0.000 1.038 153 V CB -0.422 31.248 31.823 -0.254 0.000 0.651 153 V HN 0.297 nan 8.190 nan 0.000 0.450 154 L N -0.275 120.839 121.223 -0.182 0.000 2.017 154 L HA -0.084 4.256 4.340 -0.000 0.000 0.208 154 L C 0.289 177.073 176.870 -0.144 0.000 1.073 154 L CA 2.517 57.271 54.840 -0.143 0.000 0.745 154 L CB -2.623 39.350 42.059 -0.144 0.000 0.894 154 L HN 0.355 nan 8.230 nan 0.000 0.432 155 P HA -0.159 nan 4.420 nan 0.000 0.218 155 P C 1.452 178.695 177.300 -0.095 0.000 1.149 155 P CA 0.991 64.010 63.100 -0.136 0.000 0.817 155 P CB 0.183 31.794 31.700 -0.147 0.000 0.785 156 E N 0.278 120.363 120.200 -0.191 0.000 2.038 156 E HA -0.184 4.165 4.350 -0.000 0.000 0.195 156 E C 1.892 178.435 176.600 -0.097 0.000 1.000 156 E CA 1.390 57.666 56.400 -0.206 0.000 0.803 156 E CB -1.289 28.216 29.700 -0.325 0.000 0.750 156 E HN 0.095 nan 8.360 nan 0.000 0.448 157 L N -0.019 121.149 121.223 -0.092 0.000 2.079 157 L HA -0.172 4.168 4.340 -0.000 0.000 0.210 157 L C 2.586 179.437 176.870 -0.032 0.000 1.081 157 L CA 1.007 55.825 54.840 -0.037 0.000 0.752 157 L CB -0.565 41.475 42.059 -0.032 0.000 0.896 157 L HN 0.293 nan 8.230 nan 0.000 0.433 158 L N -0.552 120.645 121.223 -0.043 0.000 1.989 158 L HA -0.258 4.081 4.340 -0.000 0.000 0.211 158 L C 2.455 179.299 176.870 -0.043 0.000 1.071 158 L CA 1.975 56.778 54.840 -0.062 0.000 0.749 158 L CB -0.565 41.423 42.059 -0.118 0.000 0.890 158 L HN 0.187 nan 8.230 nan 0.000 0.431 159 H N -1.133 117.890 119.070 -0.079 0.000 2.321 159 H HA -0.105 4.451 4.556 -0.001 0.000 0.300 159 H C 2.164 177.515 175.328 0.040 0.000 1.087 159 H CA 2.010 58.069 56.048 0.018 0.000 1.319 159 H CB -0.754 28.976 29.762 -0.053 0.000 1.379 159 H HN 0.335 nan 8.280 nan 0.000 0.501 160 T N 0.181 114.798 114.554 0.105 0.000 2.720 160 T HA -0.201 4.149 4.350 -0.000 0.000 0.268 160 T C 2.287 176.989 174.700 0.002 0.000 1.037 160 T CA 1.320 63.449 62.100 0.048 0.000 1.144 160 T CB -0.489 68.392 68.868 0.023 0.000 0.864 160 T HN 0.501 nan 8.240 nan 0.000 0.444 161 A N 1.276 124.072 122.820 -0.039 0.000 1.897 161 A HA 0.304 4.624 4.320 -0.000 0.000 0.215 161 A C 2.658 180.120 177.584 -0.204 0.000 1.181 161 A CA 1.550 53.527 52.037 -0.100 0.000 0.620 161 A CB -1.055 17.885 19.000 -0.101 0.000 0.821 161 A HN 0.490 nan 8.150 nan 0.000 0.443 162 A N -1.678 120.987 122.820 -0.258 0.000 1.978 162 A HA -0.065 4.255 4.320 -0.000 0.000 0.220 162 A C 1.445 178.506 177.584 -0.872 0.000 1.170 162 A CA 1.474 53.154 52.037 -0.594 0.000 0.636 162 A CB -0.567 18.129 19.000 -0.506 0.000 0.810 162 A HN 0.636 nan 8.150 nan 0.000 0.448 163 Y N -1.012 119.169 120.300 -0.198 0.000 2.716 163 Y HA 0.288 4.837 4.550 -0.001 0.000 0.260 163 Y C 0.970 176.803 175.900 -0.112 0.000 1.141 163 Y CA 0.039 58.050 58.100 -0.148 0.000 1.168 163 Y CB 0.044 38.459 38.460 -0.075 0.000 1.189 163 Y HN 0.185 nan 8.280 nan 0.000 0.549 164 S N 0.597 116.271 115.700 -0.044 0.000 3.486 164 S HA -0.252 4.218 4.470 -0.000 0.000 0.371 164 S C 1.629 176.233 174.600 0.007 0.000 1.001 164 S CA 1.127 59.311 58.200 -0.028 0.000 1.164 164 S CB -1.584 61.596 63.200 -0.034 0.000 0.911 164 S HN 1.205 nan 8.310 nan 0.000 0.472 165 G N -0.638 108.177 108.800 0.025 0.000 2.155 165 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.257 165 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.257 165 G C -0.250 174.655 174.900 0.008 0.000 0.983 165 G CA 0.578 45.687 45.100 0.016 0.000 0.676 165 G HN 0.607 nan 8.290 nan 0.000 0.528 166 E N 0.139 120.353 120.200 0.024 0.000 2.212 166 E HA 0.555 4.904 4.350 -0.000 0.000 0.270 166 E C 1.536 178.089 176.600 -0.078 0.000 0.956 166 E CA 0.338 56.733 56.400 -0.007 0.000 0.825 166 E CB 1.389 31.101 29.700 0.019 0.000 1.167 166 E HN 0.817 nan 8.360 nan 0.000 0.400 167 T N -0.440 114.035 114.554 -0.132 0.000 13.082 167 T HA -0.389 3.961 4.350 -0.000 0.000 0.408 167 T C 1.633 176.105 174.700 -0.381 0.000 1.453 167 T CA 1.838 63.780 62.100 -0.263 0.000 2.302 167 T CB -1.210 67.494 68.868 -0.274 0.000 2.735 167 T HN 0.481 nan 8.240 nan 0.000 0.568 168 L N 2.062 122.934 121.223 -0.586 0.000 2.353 168 L HA 0.138 4.478 4.340 -0.000 0.000 0.220 168 L C 3.023 179.699 176.870 -0.324 0.000 1.133 168 L CA 1.502 55.938 54.840 -0.674 0.000 0.798 168 L CB -0.871 40.509 42.059 -1.131 0.000 0.922 168 L HN 0.848 nan 8.230 nan 0.000 0.445 169 G N -1.570 107.129 108.800 -0.169 0.000 2.838 169 G HA2 -0.090 3.870 3.960 -0.000 0.000 0.210 169 G HA3 -0.090 3.870 3.960 -0.000 0.000 0.210 169 G C 0.735 175.618 174.900 -0.028 0.000 1.153 169 G CA -0.077 45.056 45.100 0.056 0.000 0.778 169 G HN 0.209 nan 8.290 nan 0.000 0.539 170 S N 1.767 117.410 115.700 -0.095 0.000 2.525 170 S HA 0.278 4.748 4.470 -0.000 0.000 0.285 170 S C -2.260 172.282 174.600 -0.096 0.000 1.283 170 S CA -1.110 57.040 58.200 -0.083 0.000 1.072 170 S CB 0.560 63.698 63.200 -0.103 0.000 0.867 170 S HN -0.022 nan 8.310 nan 0.000 0.492 171 P HA -0.089 nan 4.420 nan 0.000 0.257 171 P C 0.342 177.574 177.300 -0.114 0.000 1.153 171 P CA 0.166 63.225 63.100 -0.068 0.000 0.762 171 P CB 0.276 31.964 31.700 -0.019 0.000 0.743 172 L N 5.210 126.333 121.223 -0.167 0.000 2.375 172 L HA 0.227 4.566 4.340 -0.000 0.000 0.215 172 L C 0.624 177.366 176.870 -0.213 0.000 1.108 172 L CA 1.068 55.784 54.840 -0.206 0.000 0.830 172 L CB -0.033 41.862 42.059 -0.272 0.000 0.959 172 L HN 0.245 nan 8.230 nan 0.000 0.457 173 I N 0.419 120.871 120.570 -0.198 0.000 2.330 173 I HA 0.117 4.287 4.170 -0.000 0.000 0.286 173 I C -0.009 176.070 176.117 -0.062 0.000 1.025 173 I CA -0.656 60.527 61.300 -0.195 0.000 1.197 173 I CB 0.842 38.666 38.000 -0.294 0.000 1.358 173 I HN 0.036 nan 8.210 nan 0.000 0.467 174 C N 8.943 128.206 119.300 -0.063 0.000 2.611 174 C HA 0.129 4.589 4.460 -0.000 0.000 0.416 174 C C -1.892 173.147 174.990 0.081 0.000 1.366 174 C CA -0.870 58.152 59.018 0.006 0.000 1.761 174 C CB -0.306 27.437 27.740 0.005 0.000 2.619 174 C HN 0.485 nan 8.230 nan 0.000 0.606 175 P HA 0.099 nan 4.420 nan 0.000 0.266 175 P C 0.788 178.123 177.300 0.060 0.000 1.215 175 P CA 0.314 63.464 63.100 0.083 0.000 0.763 175 P CB 0.271 31.995 31.700 0.040 0.000 0.806 176 R N 3.809 124.349 120.500 0.067 0.000 2.134 176 R HA -0.193 4.147 4.340 -0.000 0.000 0.248 176 R C 1.902 178.216 176.300 0.024 0.000 1.143 176 R CA 2.329 58.458 56.100 0.049 0.000 0.957 176 R CB -1.027 29.287 30.300 0.023 0.000 0.867 176 R HN 0.646 nan 8.270 nan 0.000 0.441 177 G N -0.262 108.541 108.800 0.005 0.000 2.848 177 G HA2 -0.032 3.928 3.960 -0.000 0.000 0.208 177 G HA3 -0.032 3.928 3.960 -0.000 0.000 0.208 177 G C 1.154 176.057 174.900 0.005 0.000 1.152 177 G CA -0.053 45.048 45.100 0.001 0.000 0.789 177 G HN 0.264 nan 8.290 nan 0.000 0.531 178 L N -0.394 120.834 121.223 0.008 0.000 2.616 178 L HA 0.352 4.692 4.340 -0.000 0.000 0.229 178 L C 2.297 179.171 176.870 0.007 0.000 1.110 178 L CA -0.127 54.714 54.840 0.002 0.000 0.884 178 L CB 0.123 42.178 42.059 -0.007 0.000 1.115 178 L HN 0.152 nan 8.230 nan 0.000 0.481 179 I N 1.008 121.588 120.570 0.016 0.000 2.252 179 I HA -0.160 4.010 4.170 -0.000 0.000 0.245 179 I C -0.394 175.735 176.117 0.019 0.000 1.102 179 I CA 1.285 62.597 61.300 0.020 0.000 1.385 179 I CB -0.909 37.106 38.000 0.025 0.000 1.064 179 I HN 0.198 nan 8.210 nan 0.000 0.414 180 P HA -0.131 nan 4.420 nan 0.000 0.220 180 P C 1.452 178.776 177.300 0.040 0.000 1.148 180 P CA 1.414 64.526 63.100 0.020 0.000 0.803 180 P CB -0.112 31.596 31.700 0.015 0.000 0.782 181 S N -1.591 114.137 115.700 0.047 0.000 2.603 181 S HA 0.076 4.546 4.470 -0.000 0.000 0.220 181 S C 0.774 175.457 174.600 0.139 0.000 0.967 181 S CA -0.167 58.083 58.200 0.084 0.000 0.920 181 S CB -1.129 62.111 63.200 0.067 0.000 0.773 181 S HN 0.030 nan 8.310 nan 0.000 0.529 182 I N 3.907 124.537 120.570 0.101 0.000 2.421 182 I HA 0.134 4.304 4.170 -0.000 0.000 0.291 182 I C 0.575 176.792 176.117 0.166 0.000 1.089 182 I CA -0.255 61.128 61.300 0.137 0.000 1.354 182 I CB 0.383 38.419 38.000 0.059 0.000 1.413 182 I HN 0.346 nan 8.210 nan 0.000 0.513 183 S N 5.006 120.871 115.700 0.276 0.000 2.718 183 S HA 0.343 4.813 4.470 -0.000 0.000 0.300 183 S C 0.816 175.494 174.600 0.130 0.000 1.117 183 S CA -0.943 57.361 58.200 0.174 0.000 1.002 183 S CB 2.134 65.432 63.200 0.162 0.000 1.092 183 S HN 0.671 nan 8.310 nan 0.000 0.542 184 K N -0.173 120.272 120.400 0.075 0.000 2.152 184 K HA -0.194 4.126 4.320 -0.000 0.000 0.206 184 K C 1.849 178.469 176.600 0.033 0.000 1.048 184 K CA 1.483 57.795 56.287 0.042 0.000 0.933 184 K CB -0.529 31.986 32.500 0.026 0.000 0.721 184 K HN 0.739 nan 8.250 nan 0.000 0.447 185 Y N -0.032 120.218 120.300 -0.085 0.000 2.128 185 Y HA -0.313 4.237 4.550 -0.000 0.000 0.284 185 Y C 1.552 177.366 175.900 -0.144 0.000 1.154 185 Y CA 1.871 59.873 58.100 -0.164 0.000 1.149 185 Y CB -0.264 38.013 38.460 -0.305 0.000 0.976 185 Y HN 0.087 nan 8.280 nan 0.000 0.505 186 Y N 0.047 120.329 120.300 -0.031 0.000 2.242 186 Y HA -0.201 4.349 4.550 -0.000 0.000 0.291 186 Y C 2.367 178.223 175.900 -0.073 0.000 1.137 186 Y CA 1.395 59.441 58.100 -0.091 0.000 1.181 186 Y CB -0.706 37.796 38.460 0.071 0.000 0.989 186 Y HN 0.161 nan 8.280 nan 0.000 0.527 187 L N -0.910 120.367 121.223 0.090 0.000 2.017 187 L HA -0.253 4.087 4.340 -0.000 0.000 0.208 187 L C 2.278 179.147 176.870 -0.001 0.000 1.073 187 L CA 1.284 56.141 54.840 0.027 0.000 0.745 187 L CB -0.809 41.239 42.059 -0.018 0.000 0.894 187 L HN 0.229 nan 8.230 nan 0.000 0.432 188 L N -0.353 120.825 121.223 -0.076 0.000 2.083 188 L HA -0.263 4.077 4.340 -0.000 0.000 0.209 188 L C 2.249 179.045 176.870 -0.123 0.000 1.083 188 L CA 1.461 56.236 54.840 -0.108 0.000 0.752 188 L CB -0.606 41.379 42.059 -0.123 0.000 0.899 188 L HN 0.328 nan 8.230 nan 0.000 0.433 189 D N -0.650 119.619 120.400 -0.220 0.000 2.123 189 D HA -0.290 4.349 4.640 -0.000 0.000 0.196 189 D C 2.071 178.365 176.300 -0.010 0.000 0.992 189 D CA 1.339 55.228 54.000 -0.185 0.000 0.833 189 D CB -0.082 40.575 40.800 -0.237 0.000 0.954 189 D HN 0.310 nan 8.370 nan 0.000 0.455 190 Y N 1.048 121.341 120.300 -0.012 0.000 2.200 190 Y HA -0.037 4.512 4.550 -0.001 0.000 0.290 190 Y C 2.183 178.164 175.900 0.135 0.000 1.137 190 Y CA 1.575 59.755 58.100 0.134 0.000 1.163 190 Y CB -0.079 38.505 38.460 0.207 0.000 0.988 190 Y HN -0.112 nan 8.280 nan 0.000 0.518 191 R N -0.156 120.479 120.500 0.225 0.000 2.096 191 R HA -0.155 4.185 4.340 -0.000 0.000 0.235 191 R C 1.678 178.009 176.300 0.051 0.000 1.127 191 R CA 1.352 57.481 56.100 0.048 0.000 0.968 191 R CB -0.421 29.733 30.300 -0.243 0.000 0.861 191 R HN 0.331 nan 8.270 nan 0.000 0.440 192 N N 0.763 119.441 118.700 -0.037 0.000 2.453 192 N HA -0.094 4.646 4.740 -0.000 0.000 0.183 192 N C 1.150 176.550 175.510 -0.184 0.000 1.041 192 N CA 1.093 54.096 53.050 -0.079 0.000 0.900 192 N CB 0.117 38.552 38.487 -0.087 0.000 0.961 192 N HN 0.304 nan 8.380 nan 0.000 0.443 193 K N -1.013 119.181 120.400 -0.344 0.000 2.202 193 K HA 0.135 4.455 4.320 -0.000 0.000 0.201 193 K C 0.679 176.764 176.600 -0.858 0.000 1.051 193 K CA 0.711 56.567 56.287 -0.718 0.000 0.977 193 K CB 0.161 31.970 32.500 -1.152 0.000 0.792 193 K HN 0.108 nan 8.250 nan 0.000 0.469 194 F N -1.280 118.578 119.950 -0.152 0.000 2.727 194 F HA 0.172 4.699 4.527 -0.000 0.000 0.302 194 F C 0.292 176.118 175.800 0.043 0.000 1.107 194 F CA -0.462 57.457 58.000 -0.135 0.000 1.277 194 F CB 0.207 39.035 39.000 -0.287 0.000 1.079 194 F HN -0.150 nan 8.300 nan 0.000 0.594 195 Y N 2.391 122.765 120.300 0.124 0.000 2.667 195 Y HA 0.331 4.880 4.550 -0.000 0.000 0.340 195 Y C 0.712 176.723 175.900 0.185 0.000 1.303 195 Y CA -1.147 57.095 58.100 0.237 0.000 1.769 195 Y CB -0.745 37.875 38.460 0.267 0.000 1.804 195 Y HN -0.081 nan 8.280 nan 0.000 0.451 196 T N -1.712 112.809 114.554 -0.055 0.000 2.907 196 T HA 0.337 4.687 4.350 -0.000 0.000 0.292 196 T C -2.031 172.102 174.700 -0.946 0.000 1.043 196 T CA -2.527 59.248 62.100 -0.543 0.000 1.003 196 T CB 2.694 71.322 68.868 -0.400 0.000 1.084 196 T HN 0.016 nan 8.240 nan 0.000 0.483 197 P HA -0.198 nan 4.420 nan 0.000 0.216 197 P C 1.290 178.325 177.300 -0.441 0.000 1.150 197 P CA 1.361 63.840 63.100 -1.035 0.000 0.837 197 P CB 0.134 31.339 31.700 -0.826 0.000 0.786 198 E N -0.259 119.714 120.200 -0.379 0.000 2.409 198 E HA -0.153 4.197 4.350 -0.000 0.000 0.198 198 E C 1.067 177.573 176.600 -0.157 0.000 1.024 198 E CA 0.857 57.128 56.400 -0.214 0.000 0.861 198 E CB -0.962 28.620 29.700 -0.196 0.000 0.788 198 E HN 0.177 nan 8.360 nan 0.000 0.521 199 N N 0.241 118.833 118.700 -0.181 0.000 2.214 199 N HA 0.058 4.798 4.740 -0.000 0.000 0.214 199 N C -0.994 174.481 175.510 -0.057 0.000 1.132 199 N CA 0.097 53.084 53.050 -0.106 0.000 0.856 199 N CB 0.691 39.118 38.487 -0.099 0.000 1.020 199 N HN -0.014 nan 8.380 nan 0.000 0.509 200 T N -0.943 113.582 114.554 -0.048 0.000 2.924 200 T HA 0.599 4.949 4.350 -0.000 0.000 0.291 200 T C -0.857 173.896 174.700 0.089 0.000 1.045 200 T CA -0.584 61.546 62.100 0.049 0.000 1.015 200 T CB 2.457 71.411 68.868 0.143 0.000 1.103 200 T HN -0.308 nan 8.240 nan 0.000 0.496 201 V N 1.222 121.229 119.914 0.155 0.000 2.686 201 V HA 0.764 4.883 4.120 -0.000 0.000 0.306 201 V C -0.562 175.675 176.094 0.238 0.000 1.065 201 V CA -0.961 61.444 62.300 0.175 0.000 0.894 201 V CB 1.780 33.688 31.823 0.143 0.000 1.004 201 V HN 1.136 nan 8.190 nan 0.000 0.424 202 A N 3.675 126.618 122.820 0.205 0.000 2.303 202 A HA 0.966 5.285 4.320 -0.000 0.000 0.320 202 A C -0.115 177.550 177.584 0.135 0.000 1.192 202 A CA -0.132 51.994 52.037 0.149 0.000 0.821 202 A CB 1.199 20.334 19.000 0.225 0.000 1.188 202 A HN 1.438 nan 8.150 nan 0.000 0.492 203 A N 1.996 124.783 122.820 -0.054 0.000 2.435 203 A HA 0.922 5.242 4.320 -0.000 0.000 0.304 203 A C -1.179 176.217 177.584 -0.312 0.000 1.064 203 A CA -0.414 51.635 52.037 0.021 0.000 0.727 203 A CB 0.809 19.848 19.000 0.066 0.000 1.284 203 A HN 0.749 nan 8.150 nan 0.000 0.415 204 F N 0.164 120.211 119.950 0.161 0.000 2.603 204 F HA 0.710 5.237 4.527 -0.001 0.000 0.317 204 F C -0.204 175.676 175.800 0.133 0.000 1.066 204 F CA -1.044 57.041 58.000 0.142 0.000 0.941 204 F CB 2.388 41.453 39.000 0.109 0.000 1.291 204 F HN 0.291 nan 8.300 nan 0.000 0.472 205 V N 0.763 120.858 119.914 0.302 0.000 2.569 205 V HA 0.620 4.739 4.120 -0.000 0.000 0.301 205 V C 0.222 176.411 176.094 0.158 0.000 1.044 205 V CA -0.372 62.046 62.300 0.197 0.000 0.874 205 V CB 1.173 33.082 31.823 0.144 0.000 1.002 205 V HN 1.073 nan 8.190 nan 0.000 0.424 206 G N 4.216 113.086 108.800 0.116 0.000 2.141 206 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.231 206 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.231 206 G C -0.191 174.758 174.900 0.083 0.000 0.984 206 G CA 0.122 45.262 45.100 0.066 0.000 0.660 206 G HN 0.884 nan 8.290 nan 0.000 0.525 207 V N 0.761 120.742 119.914 0.112 0.000 2.540 207 V HA 0.545 4.665 4.120 -0.000 0.000 0.302 207 V C -2.033 174.070 176.094 0.014 0.000 1.035 207 V CA -1.946 60.389 62.300 0.059 0.000 0.873 207 V CB 2.120 33.975 31.823 0.053 0.000 0.992 207 V HN 0.082 nan 8.190 nan 0.000 0.428 208 P HA 0.097 nan 4.420 nan 0.000 0.267 208 P C 0.579 177.857 177.300 -0.036 0.000 1.205 208 P CA 0.215 63.312 63.100 -0.005 0.000 0.765 208 P CB 0.418 32.110 31.700 -0.013 0.000 0.828 209 H N 2.638 121.658 119.070 -0.082 0.000 2.353 209 H HA -0.232 4.324 4.556 -0.000 0.000 0.298 209 H C 1.723 176.982 175.328 -0.115 0.000 1.103 209 H CA 2.114 58.100 56.048 -0.104 0.000 1.293 209 H CB 0.119 29.830 29.762 -0.086 0.000 1.372 209 H HN 0.407 nan 8.280 nan 0.000 0.501 210 E N 0.048 120.240 120.200 -0.013 0.000 2.110 210 E HA -0.154 4.196 4.350 -0.000 0.000 0.193 210 E C 2.121 178.644 176.600 -0.127 0.000 0.988 210 E CA 1.235 57.599 56.400 -0.059 0.000 0.804 210 E CB -0.039 29.651 29.700 -0.016 0.000 0.745 210 E HN 0.236 nan 8.360 nan 0.000 0.458 211 K N 0.015 120.333 120.400 -0.137 0.000 2.057 211 K HA 0.046 4.366 4.320 -0.000 0.000 0.206 211 K C 1.818 178.260 176.600 -0.264 0.000 1.050 211 K CA 1.383 57.578 56.287 -0.153 0.000 0.935 211 K CB -0.617 31.812 32.500 -0.119 0.000 0.715 211 K HN 0.132 nan 8.250 nan 0.000 0.439 212 A N 0.732 123.288 122.820 -0.440 0.000 1.902 212 A HA -0.123 4.197 4.320 -0.000 0.000 0.217 212 A C 2.239 179.563 177.584 -0.434 0.000 1.181 212 A CA 1.586 53.175 52.037 -0.748 0.000 0.623 212 A CB -0.744 17.627 19.000 -1.049 0.000 0.818 212 A HN 0.324 nan 8.150 nan 0.000 0.443 213 L N -0.935 120.069 121.223 -0.365 0.000 2.083 213 L HA -0.223 4.117 4.340 -0.000 0.000 0.209 213 L C 2.669 179.459 176.870 -0.134 0.000 1.083 213 L CA 1.688 56.395 54.840 -0.222 0.000 0.752 213 L CB -0.514 41.427 42.059 -0.197 0.000 0.899 213 L HN 0.526 nan 8.230 nan 0.000 0.433 214 E N 0.037 120.155 120.200 -0.137 0.000 2.017 214 E HA -0.229 4.121 4.350 -0.000 0.000 0.193 214 E C 2.313 178.855 176.600 -0.097 0.000 0.997 214 E CA 1.242 57.581 56.400 -0.101 0.000 0.804 214 E CB -0.100 29.545 29.700 -0.091 0.000 0.757 214 E HN 0.408 nan 8.360 nan 0.000 0.448 215 L N 0.397 121.574 121.223 -0.077 0.000 2.017 215 L HA -0.184 4.156 4.340 -0.000 0.000 0.208 215 L C 2.653 179.579 176.870 0.094 0.000 1.073 215 L CA 1.266 56.117 54.840 0.018 0.000 0.745 215 L CB -0.664 41.464 42.059 0.115 0.000 0.894 215 L HN 0.170 nan 8.230 nan 0.000 0.432 216 T N -0.168 114.442 114.554 0.093 0.000 2.684 216 T HA -0.164 4.185 4.350 -0.000 0.000 0.267 216 T C 1.853 176.616 174.700 0.105 0.000 1.036 216 T CA 1.529 63.731 62.100 0.170 0.000 1.148 216 T CB -0.657 68.306 68.868 0.158 0.000 0.863 216 T HN 0.583 nan 8.240 nan 0.000 0.436 217 G N 1.222 110.037 108.800 0.024 0.000 2.418 217 G HA2 -0.227 3.732 3.960 -0.000 0.000 0.217 217 G HA3 -0.227 3.732 3.960 -0.000 0.000 0.217 217 G C 1.483 176.358 174.900 -0.041 0.000 1.158 217 G CA 1.086 46.190 45.100 0.006 0.000 0.771 217 G HN 0.470 nan 8.290 nan 0.000 0.545 218 K N -0.626 119.682 120.400 -0.154 0.000 2.009 218 K HA -0.144 4.175 4.320 -0.000 0.000 0.210 218 K C 2.165 178.568 176.600 -0.329 0.000 1.049 218 K CA 1.547 57.628 56.287 -0.345 0.000 0.929 218 K CB -0.275 31.831 32.500 -0.656 0.000 0.714 218 K HN 0.416 nan 8.250 nan 0.000 0.440 219 Y N -0.817 119.505 120.300 0.036 0.000 2.503 219 Y HA 0.076 4.625 4.550 -0.001 0.000 0.278 219 Y C 1.332 177.252 175.900 0.034 0.000 1.111 219 Y CA 0.125 58.243 58.100 0.031 0.000 1.270 219 Y CB 0.442 38.917 38.460 0.024 0.000 1.063 219 Y HN 0.043 nan 8.280 nan 0.000 0.548 220 L N -1.344 119.999 121.223 0.201 0.000 2.858 220 L HA 0.371 4.711 4.340 -0.000 0.000 0.251 220 L C 2.127 179.150 176.870 0.256 0.000 1.149 220 L CA 0.247 55.216 54.840 0.214 0.000 0.955 220 L CB -0.598 41.613 42.059 0.254 0.000 1.289 220 L HN 0.167 nan 8.230 nan 0.000 0.542 221 G N 0.527 109.423 108.800 0.160 0.000 2.480 221 G HA2 -0.264 3.695 3.960 -0.000 0.000 0.216 221 G HA3 -0.264 3.695 3.960 -0.000 0.000 0.216 221 G C 1.048 176.035 174.900 0.145 0.000 1.200 221 G CA 1.020 46.194 45.100 0.124 0.000 0.782 221 G HN 0.542 nan 8.290 nan 0.000 0.554 222 D N -1.103 119.385 120.400 0.147 0.000 2.371 222 D HA -0.057 4.583 4.640 -0.000 0.000 0.234 222 D C 0.395 176.838 176.300 0.239 0.000 1.049 222 D CA -0.451 53.641 54.000 0.153 0.000 0.907 222 D CB -0.329 40.546 40.800 0.125 0.000 0.891 222 D HN 0.251 nan 8.370 nan 0.000 0.531 223 W N 2.497 123.816 121.300 0.032 0.000 2.216 223 W HA 0.237 4.897 4.660 -0.001 0.000 0.326 223 W C -0.299 176.216 176.519 -0.006 0.000 1.319 223 W CA -0.713 56.635 57.345 0.005 0.000 1.213 223 W CB 0.346 29.794 29.460 -0.021 0.000 1.171 223 W HN -0.074 nan 8.180 nan 0.000 0.557 224 Q N 3.915 123.794 119.800 0.131 0.000 2.377 224 Q HA 0.312 4.652 4.340 -0.000 0.000 0.271 224 Q C -0.335 175.524 176.000 -0.235 0.000 1.077 224 Q CA -0.972 54.787 55.803 -0.073 0.000 0.820 224 Q CB 2.245 31.002 28.738 0.031 0.000 1.347 224 Q HN 0.448 nan 8.270 nan 0.000 0.444 225 S N 0.079 115.566 115.700 -0.356 0.000 2.584 225 S HA 0.073 4.542 4.470 -0.000 0.000 0.270 225 S C 0.950 175.348 174.600 -0.338 0.000 1.346 225 S CA 0.230 58.143 58.200 -0.479 0.000 1.018 225 S CB 0.557 63.316 63.200 -0.735 0.000 0.899 225 S HN 0.747 nan 8.310 nan 0.000 0.542 226 T N 0.131 114.526 114.554 -0.265 0.000 3.086 226 T HA 0.216 4.565 4.350 -0.000 0.000 0.250 226 T C 0.213 174.889 174.700 -0.040 0.000 1.074 226 T CA 0.074 62.116 62.100 -0.096 0.000 0.988 226 T CB -0.525 68.302 68.868 -0.068 0.000 0.988 226 T HN 0.847 nan 8.240 nan 0.000 0.530 227 H N 2.138 121.149 119.070 -0.099 0.000 2.672 227 H HA -0.073 4.483 4.556 -0.000 0.000 0.325 227 H C -2.204 173.066 175.328 -0.096 0.000 1.158 227 H CA 0.598 56.590 56.048 -0.093 0.000 1.134 227 H CB -1.640 28.081 29.762 -0.068 0.000 1.553 227 H HN 0.532 nan 8.280 nan 0.000 0.419 228 P HA 0.260 nan 4.420 nan 0.000 0.276 228 P C -2.419 174.822 177.300 -0.099 0.000 1.261 228 P CA -1.405 61.629 63.100 -0.109 0.000 0.800 228 P CB 0.452 32.026 31.700 -0.210 0.000 1.066 229 P HA 0.213 nan 4.420 nan 0.000 0.270 229 P C -0.406 176.839 177.300 -0.092 0.000 1.242 229 P CA -0.134 62.924 63.100 -0.070 0.000 0.768 229 P CB -0.199 31.471 31.700 -0.050 0.000 0.820 230 I N 2.921 123.453 120.570 -0.064 0.000 2.662 230 I HA 0.021 4.190 4.170 -0.000 0.000 0.285 230 I C 1.222 177.326 176.117 -0.022 0.000 1.161 230 I CA 1.005 62.271 61.300 -0.056 0.000 1.415 230 I CB -0.543 37.441 38.000 -0.027 0.000 1.385 230 I HN 0.387 nan 8.210 nan 0.000 0.552 231 T N 2.078 116.627 114.554 -0.008 0.000 3.487 231 T HA 0.311 4.661 4.350 -0.000 0.000 0.287 231 T C 0.202 174.992 174.700 0.149 0.000 1.004 231 T CA -0.823 61.312 62.100 0.059 0.000 0.977 231 T CB -0.447 68.452 68.868 0.053 0.000 1.180 231 T HN 0.411 nan 8.240 nan 0.000 0.490 232 K N 2.439 122.926 120.400 0.145 0.000 2.266 232 K HA 0.330 4.650 4.320 -0.000 0.000 0.274 232 K C -0.196 176.523 176.600 0.198 0.000 1.090 232 K CA -0.463 55.984 56.287 0.266 0.000 0.925 232 K CB 1.041 33.681 32.500 0.234 0.000 1.225 232 K HN 0.337 nan 8.250 nan 0.000 0.458 233 K N 1.613 122.118 120.400 0.175 0.000 2.298 233 K HA 0.106 4.426 4.320 -0.000 0.000 0.280 233 K C 0.290 176.933 176.600 0.071 0.000 1.032 233 K CA -0.581 55.765 56.287 0.099 0.000 0.958 233 K CB 1.171 33.714 32.500 0.071 0.000 0.978 233 K HN 0.292 nan 8.250 nan 0.000 0.472 234 V N 1.106 121.057 119.914 0.062 0.000 2.686 234 V HA 0.360 4.480 4.120 -0.000 0.000 0.295 234 V C 0.084 176.196 176.094 0.029 0.000 1.055 234 V CA -0.480 61.851 62.300 0.051 0.000 1.050 234 V CB 0.756 32.617 31.823 0.064 0.000 0.984 234 V HN 0.837 nan 8.190 nan 0.000 0.482 235 A N 5.270 128.089 122.820 -0.000 0.000 2.492 235 A HA 0.412 4.732 4.320 -0.000 0.000 0.254 235 A C 0.235 177.901 177.584 0.137 0.000 1.091 235 A CA -0.153 51.870 52.037 -0.023 0.000 0.768 235 A CB -0.208 18.691 19.000 -0.168 0.000 1.028 235 A HN 0.975 nan 8.150 nan 0.000 0.498 236 Q N 1.808 121.726 119.800 0.197 0.000 2.425 236 Q HA 0.245 4.585 4.340 -0.000 0.000 0.254 236 Q C -1.233 174.970 176.000 0.339 0.000 1.032 236 Q CA -0.342 55.603 55.803 0.237 0.000 0.798 236 Q CB 1.507 30.328 28.738 0.138 0.000 1.210 236 Q HN 0.747 nan 8.270 nan 0.000 0.491 237 Y N 2.341 122.774 120.300 0.220 0.000 2.526 237 Y HA -0.054 4.496 4.550 -0.000 0.000 0.330 237 Y C 1.114 176.979 175.900 -0.059 0.000 1.156 237 Y CA 1.207 59.281 58.100 -0.044 0.000 1.419 237 Y CB 0.799 39.207 38.460 -0.087 0.000 1.250 237 Y HN 0.688 nan 8.280 nan 0.000 0.540 238 T N 1.861 116.008 114.554 -0.678 0.000 2.964 238 T HA 0.503 4.852 4.350 -0.000 0.000 0.249 238 T C 0.892 175.263 174.700 -0.547 0.000 1.000 238 T CA 0.315 62.159 62.100 -0.427 0.000 0.992 238 T CB -0.468 68.253 68.868 -0.245 0.000 1.087 238 T HN 1.440 nan 8.240 nan 0.000 0.489 239 G N -0.038 108.138 108.800 -1.040 0.000 2.828 239 G HA2 0.401 4.361 3.960 -0.000 0.000 0.463 239 G HA3 0.401 4.361 3.960 -0.000 0.000 0.463 239 G C 0.021 174.726 174.900 -0.325 0.000 1.394 239 G CA -0.538 44.212 45.100 -0.582 0.000 0.862 239 G HN 1.907 nan 8.290 nan 0.000 0.540 240 G N -1.169 107.512 108.800 -0.199 0.000 2.356 240 G HA2 0.581 4.541 3.960 -0.000 0.000 0.300 240 G HA3 0.581 4.541 3.960 -0.000 0.000 0.300 240 G C -1.270 173.562 174.900 -0.112 0.000 1.331 240 G CA 0.245 45.263 45.100 -0.137 0.000 0.905 240 G HN 1.018 nan 8.290 nan 0.000 0.587 241 E N -0.644 119.504 120.200 -0.087 0.000 2.272 241 E HA 0.684 5.034 4.350 -0.000 0.000 0.269 241 E C -1.053 175.504 176.600 -0.071 0.000 0.877 241 E CA -0.726 55.625 56.400 -0.081 0.000 0.755 241 E CB 2.261 31.922 29.700 -0.064 0.000 1.192 241 E HN 0.489 nan 8.360 nan 0.000 0.422 242 S N 1.359 117.011 115.700 -0.080 0.000 2.541 242 S HA 0.538 5.008 4.470 -0.000 0.000 0.271 242 S C -1.879 172.674 174.600 -0.077 0.000 1.133 242 S CA -0.542 57.620 58.200 -0.062 0.000 0.876 242 S CB 1.511 64.684 63.200 -0.045 0.000 1.105 242 S HN 0.614 nan 8.310 nan 0.000 0.470 243 C N 5.960 125.225 119.300 -0.058 0.000 2.642 243 C HA 0.762 5.222 4.460 -0.000 0.000 0.344 243 C C -0.873 174.095 174.990 -0.036 0.000 1.110 243 C CA -0.737 58.241 59.018 -0.066 0.000 1.298 243 C CB -0.610 27.090 27.740 -0.067 0.000 1.827 243 C HN 0.861 nan 8.230 nan 0.000 0.467 244 I N 3.386 123.940 120.570 -0.026 0.000 2.750 244 I HA 0.732 4.902 4.170 -0.000 0.000 0.308 244 I C -2.584 173.515 176.117 -0.029 0.000 1.016 244 I CA -2.552 58.745 61.300 -0.005 0.000 1.098 244 I CB 1.230 39.261 38.000 0.053 0.000 1.279 244 I HN 0.314 nan 8.210 nan 0.000 0.454 245 P HA 0.167 nan 4.420 nan 0.000 0.267 245 P C -2.516 174.755 177.300 -0.049 0.000 1.201 245 P CA -0.478 62.596 63.100 -0.044 0.000 0.775 245 P CB -0.346 31.337 31.700 -0.027 0.000 0.854 246 P HA 0.055 nan 4.420 nan 0.000 0.265 246 P C -0.415 176.892 177.300 0.011 0.000 1.193 246 P CA 0.383 63.456 63.100 -0.046 0.000 0.765 246 P CB 0.247 31.973 31.700 0.044 0.000 0.823 247 A N 5.584 128.431 122.820 0.046 0.000 2.466 247 A HA 0.330 4.650 4.320 -0.000 0.000 0.238 247 A C -1.930 175.571 177.584 -0.140 0.000 1.074 247 A CA -0.807 51.239 52.037 0.015 0.000 0.774 247 A CB -1.346 17.719 19.000 0.107 0.000 1.015 247 A HN 0.429 nan 8.150 nan 0.000 0.498 248 P HA 0.245 nan 4.420 nan 0.000 0.271 248 P C -0.365 176.461 177.300 -0.791 0.000 1.216 248 P CA -0.238 62.629 63.100 -0.388 0.000 0.771 248 P CB 0.592 32.146 31.700 -0.242 0.000 0.864 249 V N 1.482 121.133 119.914 -0.439 0.000 2.364 249 V HA 0.113 4.233 4.120 -0.000 0.000 0.252 249 V C 0.500 176.410 176.094 -0.307 0.000 1.075 249 V CA -0.001 62.084 62.300 -0.358 0.000 1.033 249 V CB -1.786 29.953 31.823 -0.141 0.000 1.116 249 V HN 0.246 nan 8.190 nan 0.000 0.488 250 F N 4.351 124.323 119.950 0.038 0.000 2.114 250 F HA 0.503 5.030 4.527 -0.001 0.000 0.217 250 F C 2.044 177.857 175.800 0.022 0.000 0.979 250 F CA 1.171 59.189 58.000 0.030 0.000 1.096 250 F CB -1.207 37.813 39.000 0.032 0.000 1.972 250 F HN 0.592 nan 8.300 nan 0.000 0.655 251 G N -0.088 108.883 108.800 0.285 0.000 3.152 251 G HA2 -0.007 3.953 3.960 -0.000 0.000 0.157 251 G HA3 -0.007 3.953 3.960 -0.000 0.000 0.157 251 G C 0.637 175.602 174.900 0.107 0.000 1.786 251 G CA 0.249 45.435 45.100 0.143 0.000 1.055 251 G HN 0.548 nan 8.290 nan 0.000 0.528 252 N N -0.150 118.599 118.700 0.083 0.000 2.512 252 N HA 0.004 4.744 4.740 -0.000 0.000 0.183 252 N C 0.940 176.494 175.510 0.073 0.000 1.073 252 N CA 0.064 53.150 53.050 0.061 0.000 0.911 252 N CB -0.473 38.040 38.487 0.044 0.000 0.964 252 N HN 0.309 nan 8.380 nan 0.000 0.447 253 L N 0.851 122.143 121.223 0.114 0.000 2.559 253 L HA 0.096 4.435 4.340 -0.000 0.000 0.282 253 L C -1.836 175.095 176.870 0.102 0.000 1.232 253 L CA -1.226 53.694 54.840 0.133 0.000 0.885 253 L CB -0.296 41.904 42.059 0.235 0.000 1.131 253 L HN 0.061 nan 8.230 nan 0.000 0.498 254 P HA 0.108 nan 4.420 nan 0.000 0.276 254 P C -0.578 176.751 177.300 0.047 0.000 1.235 254 P CA -0.459 62.671 63.100 0.049 0.000 0.772 254 P CB 0.648 32.374 31.700 0.043 0.000 0.871 255 E N 3.189 123.392 120.200 0.006 0.000 2.376 255 E HA 0.215 4.564 4.350 -0.000 0.000 0.266 255 E C -0.986 175.601 176.600 -0.020 0.000 1.009 255 E CA -0.152 56.245 56.400 -0.004 0.000 0.902 255 E CB 0.215 29.890 29.700 -0.041 0.000 0.972 255 E HN 0.376 nan 8.360 nan 0.000 0.439 256 L N 3.858 125.095 121.223 0.024 0.000 2.333 256 L HA 0.539 4.878 4.340 -0.000 0.000 0.263 256 L C -0.891 176.019 176.870 0.067 0.000 1.014 256 L CA -1.069 53.745 54.840 -0.043 0.000 0.820 256 L CB 1.300 43.306 42.059 -0.089 0.000 1.352 256 L HN 0.533 nan 8.230 nan 0.000 0.421 257 F N 0.036 119.798 119.950 -0.312 0.000 2.538 257 F HA 0.587 5.114 4.527 -0.001 0.000 0.325 257 F C 0.207 175.825 175.800 -0.304 0.000 1.066 257 F CA -0.851 57.033 58.000 -0.193 0.000 0.946 257 F CB 1.613 40.595 39.000 -0.031 0.000 1.199 257 F HN 0.293 nan 8.300 nan 0.000 0.473 258 H N 2.606 121.896 119.070 0.367 0.000 2.747 258 H HA 0.661 5.216 4.556 -0.001 0.000 0.371 258 H C -1.038 174.367 175.328 0.128 0.000 1.161 258 H CA -0.720 55.464 56.048 0.227 0.000 1.167 258 H CB 3.247 33.081 29.762 0.119 0.000 1.732 258 H HN 0.612 nan 8.280 nan 0.000 0.544 259 I N 1.081 121.773 120.570 0.203 0.000 2.775 259 I HA 0.192 4.361 4.170 -0.000 0.000 0.295 259 I C -1.605 174.542 176.117 0.050 0.000 1.287 259 I CA -0.368 60.922 61.300 -0.017 0.000 1.029 259 I CB 2.586 40.522 38.000 -0.107 0.000 1.282 259 I HN 0.519 nan 8.210 nan 0.000 0.426 260 Q N 7.109 126.914 119.800 0.009 0.000 2.304 260 Q HA 0.618 4.957 4.340 -0.000 0.000 0.270 260 Q C -1.508 174.550 176.000 0.096 0.000 1.035 260 Q CA -0.672 55.204 55.803 0.122 0.000 0.781 260 Q CB 3.177 31.957 28.738 0.070 0.000 1.261 260 Q HN 0.545 nan 8.270 nan 0.000 0.444 261 I N 1.396 122.057 120.570 0.151 0.000 2.436 261 I HA 0.724 4.893 4.170 -0.000 0.000 0.289 261 I C 0.066 176.221 176.117 0.063 0.000 1.010 261 I CA -0.567 60.753 61.300 0.033 0.000 1.098 261 I CB 2.124 40.112 38.000 -0.021 0.000 1.266 261 I HN 0.678 nan 8.210 nan 0.000 0.434 262 G N 4.704 113.474 108.800 -0.049 0.000 2.682 262 G HA2 0.761 4.720 3.960 -0.000 0.000 0.290 262 G HA3 0.761 4.720 3.960 -0.000 0.000 0.290 262 G C -1.716 172.996 174.900 -0.315 0.000 1.425 262 G CA -0.396 44.702 45.100 -0.003 0.000 0.807 262 G HN 0.308 nan 8.290 nan 0.000 0.482 263 F N -0.756 119.285 119.950 0.152 0.000 2.631 263 F HA 0.529 5.056 4.527 -0.000 0.000 0.328 263 F C 0.454 176.113 175.800 -0.234 0.000 1.067 263 F CA -0.825 57.182 58.000 0.012 0.000 0.969 263 F CB 2.044 41.034 39.000 -0.018 0.000 1.332 263 F HN 0.555 nan 8.300 nan 0.000 0.490 264 E N 0.599 120.455 120.200 -0.573 0.000 2.465 264 E HA 0.373 4.722 4.350 -0.000 0.000 0.260 264 E C 0.108 176.557 176.600 -0.252 0.000 0.980 264 E CA 0.171 56.128 56.400 -0.739 0.000 0.927 264 E CB 0.584 29.649 29.700 -1.058 0.000 0.934 264 E HN 0.741 nan 8.360 nan 0.000 0.459 265 G N 3.830 112.566 108.800 -0.106 0.000 2.940 265 G HA2 0.507 4.466 3.960 -0.000 0.000 0.164 265 G HA3 0.507 4.466 3.960 -0.000 0.000 0.164 265 G C -0.736 174.084 174.900 -0.133 0.000 1.326 265 G CA -0.725 44.324 45.100 -0.085 0.000 1.020 265 G HN 0.508 nan 8.290 nan 0.000 0.586 266 L N 0.428 121.568 121.223 -0.137 0.000 2.333 266 L HA 0.415 4.755 4.340 -0.000 0.000 0.269 266 L C -2.493 174.349 176.870 -0.048 0.000 1.010 266 L CA -1.926 52.806 54.840 -0.181 0.000 0.818 266 L CB 2.632 44.453 42.059 -0.398 0.000 1.306 266 L HN 0.210 nan 8.230 nan 0.000 0.430 267 P HA 0.033 nan 4.420 nan 0.000 0.271 267 P C 0.974 178.302 177.300 0.046 0.000 1.216 267 P CA -0.443 62.705 63.100 0.080 0.000 0.776 267 P CB 0.447 32.221 31.700 0.122 0.000 0.881 268 I N 1.287 121.873 120.570 0.027 0.000 2.502 268 I HA -0.198 3.972 4.170 -0.000 0.000 0.258 268 I C 0.381 176.477 176.117 -0.034 0.000 1.172 268 I CA 1.973 63.262 61.300 -0.018 0.000 1.430 268 I CB -1.509 36.493 38.000 0.003 0.000 1.086 268 I HN 0.243 nan 8.210 nan 0.000 0.440 269 D N -0.611 119.793 120.400 0.007 0.000 2.463 269 D HA 0.022 4.661 4.640 -0.000 0.000 0.224 269 D C 0.932 177.199 176.300 -0.057 0.000 1.174 269 D CA -0.377 53.580 54.000 -0.071 0.000 0.829 269 D CB -0.825 39.901 40.800 -0.124 0.000 0.993 269 D HN 0.420 nan 8.370 nan 0.000 0.497 270 H N 1.329 120.337 119.070 -0.104 0.000 2.707 270 H HA 0.121 4.676 4.556 -0.001 0.000 0.359 270 H C -1.562 173.703 175.328 -0.105 0.000 1.113 270 H CA -1.222 54.773 56.048 -0.088 0.000 1.422 270 H CB 1.620 31.333 29.762 -0.081 0.000 1.443 270 H HN -0.211 nan 8.280 nan 0.000 0.591 271 P HA -0.122 nan 4.420 nan 0.000 0.215 271 P C 0.483 177.880 177.300 0.161 0.000 1.153 271 P CA 1.352 64.450 63.100 -0.002 0.000 0.853 271 P CB 0.331 31.953 31.700 -0.129 0.000 0.788 272 D N -1.340 119.270 120.400 0.350 0.000 2.319 272 D HA 0.003 4.643 4.640 -0.000 0.000 0.230 272 D C 1.678 177.967 176.300 -0.017 0.000 1.094 272 D CA -0.032 54.032 54.000 0.106 0.000 0.856 272 D CB -0.302 40.503 40.800 0.008 0.000 0.915 272 D HN 0.067 nan 8.370 nan 0.000 0.517 273 I N 0.585 121.130 120.570 -0.041 0.000 2.163 273 I HA -0.308 3.862 4.170 -0.000 0.000 0.243 273 I C 1.671 177.675 176.117 -0.188 0.000 1.085 273 I CA 1.438 62.625 61.300 -0.188 0.000 1.347 273 I CB -0.493 37.326 38.000 -0.302 0.000 1.044 273 I HN 0.018 nan 8.210 nan 0.000 0.408 274 Y N 0.931 121.226 120.300 -0.008 0.000 2.224 274 Y HA -0.179 4.371 4.550 -0.000 0.000 0.289 274 Y C 2.606 178.492 175.900 -0.024 0.000 1.146 274 Y CA 1.438 59.531 58.100 -0.012 0.000 1.182 274 Y CB -1.121 37.333 38.460 -0.010 0.000 0.983 274 Y HN 0.212 nan 8.280 nan 0.000 0.524 275 A N -0.258 122.622 122.820 0.100 0.000 1.877 275 A HA -0.176 4.144 4.320 -0.000 0.000 0.216 275 A C 2.208 179.767 177.584 -0.042 0.000 1.186 275 A CA 1.610 53.658 52.037 0.018 0.000 0.620 275 A CB -1.131 17.855 19.000 -0.022 0.000 0.822 275 A HN 0.404 nan 8.150 nan 0.000 0.443 276 L N -0.292 120.865 121.223 -0.110 0.000 2.127 276 L HA -0.090 4.249 4.340 -0.000 0.000 0.211 276 L C 2.592 179.456 176.870 -0.009 0.000 1.089 276 L CA 2.041 56.767 54.840 -0.190 0.000 0.757 276 L CB -0.531 41.364 42.059 -0.274 0.000 0.899 276 L HN 0.351 nan 8.230 nan 0.000 0.434 277 A N -2.072 120.768 122.820 0.033 0.000 1.968 277 A HA -0.120 4.200 4.320 -0.000 0.000 0.217 277 A C 2.223 179.864 177.584 0.094 0.000 1.169 277 A CA 1.837 53.925 52.037 0.085 0.000 0.638 277 A CB -0.891 18.151 19.000 0.071 0.000 0.812 277 A HN 0.475 nan 8.150 nan 0.000 0.446 278 T N 0.197 114.796 114.554 0.075 0.000 2.777 278 T HA -0.106 4.244 4.350 -0.000 0.000 0.266 278 T C 1.825 176.569 174.700 0.073 0.000 1.040 278 T CA 1.423 63.563 62.100 0.067 0.000 1.141 278 T CB -0.334 68.565 68.868 0.050 0.000 0.868 278 T HN 0.330 nan 8.240 nan 0.000 0.444 279 L N 1.389 122.649 121.223 0.062 0.000 2.083 279 L HA -0.058 4.282 4.340 -0.000 0.000 0.209 279 L C 2.463 179.462 176.870 0.214 0.000 1.083 279 L CA 1.752 56.647 54.840 0.092 0.000 0.752 279 L CB -0.794 41.243 42.059 -0.036 0.000 0.899 279 L HN 0.124 nan 8.230 nan 0.000 0.433 280 Q N -0.765 119.196 119.800 0.269 0.000 2.046 280 Q HA -0.169 4.170 4.340 -0.000 0.000 0.200 280 Q C 2.006 178.068 176.000 0.103 0.000 0.975 280 Q CA 2.407 58.338 55.803 0.213 0.000 0.836 280 Q CB -0.248 28.589 28.738 0.165 0.000 0.896 280 Q HN 0.591 nan 8.270 nan 0.000 0.428 281 T N 2.087 116.698 114.554 0.093 0.000 2.788 281 T HA -0.123 4.227 4.350 -0.000 0.000 0.268 281 T C 1.936 176.683 174.700 0.078 0.000 1.044 281 T CA 1.088 63.233 62.100 0.074 0.000 1.139 281 T CB -0.255 68.653 68.868 0.067 0.000 0.867 281 T HN 0.250 nan 8.240 nan 0.000 0.454 282 L N 0.379 121.651 121.223 0.083 0.000 2.017 282 L HA -0.028 4.312 4.340 -0.000 0.000 0.208 282 L C 2.229 179.143 176.870 0.073 0.000 1.073 282 L CA 1.354 56.239 54.840 0.075 0.000 0.745 282 L CB -0.262 41.842 42.059 0.074 0.000 0.894 282 L HN 0.240 nan 8.230 nan 0.000 0.432 283 L N -0.775 120.502 121.223 0.090 0.000 2.056 283 L HA -0.029 4.310 4.340 -0.000 0.000 0.207 283 L C 1.910 178.815 176.870 0.058 0.000 1.078 283 L CA 0.847 55.728 54.840 0.069 0.000 0.749 283 L CB -1.237 40.878 42.059 0.094 0.000 0.901 283 L HN 0.572 nan 8.230 nan 0.000 0.433 284 G N -0.459 108.381 108.800 0.067 0.000 2.660 284 G HA2 -0.106 3.854 3.960 -0.000 0.000 0.321 284 G HA3 -0.106 3.854 3.960 -0.000 0.000 0.321 284 G C 0.596 175.542 174.900 0.077 0.000 1.246 284 G CA 0.316 45.469 45.100 0.090 0.000 1.000 284 G HN 1.130 nan 8.290 nan 0.000 0.550 285 G N -2.740 106.144 108.800 0.141 0.000 2.447 285 G HA2 0.580 4.540 3.960 -0.000 0.000 0.220 285 G HA3 0.580 4.540 3.960 -0.000 0.000 0.220 285 G C 0.693 175.597 174.900 0.006 0.000 1.261 285 G CA 0.690 45.768 45.100 -0.036 0.000 1.000 285 G HN 3.107 nan 8.290 nan 0.000 0.515 286 G N -2.223 106.500 108.800 -0.127 0.000 2.347 286 G HA2 0.707 4.667 3.960 -0.000 0.000 0.224 286 G HA3 0.707 4.667 3.960 -0.000 0.000 0.224 286 G C 0.278 175.120 174.900 -0.096 0.000 1.318 286 G CA 1.039 46.129 45.100 -0.017 0.000 1.016 286 G HN 2.536 nan 8.290 nan 0.000 0.469 294 P HA 0.408 nan 4.420 nan 0.000 0.271 294 P C 1.116 178.428 177.300 0.020 0.000 1.238 294 P CA 1.699 64.813 63.100 0.025 0.000 0.794 294 P CB 0.663 32.389 31.700 0.043 0.000 0.959 295 G N 0.622 109.440 108.800 0.031 0.000 2.217 295 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.246 295 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.246 295 G C 0.805 175.714 174.900 0.015 0.000 0.990 295 G CA 0.456 45.571 45.100 0.025 0.000 0.627 295 G HN 0.711 nan 8.290 nan 0.000 0.522 296 K N 1.178 121.574 120.400 -0.006 0.000 2.589 296 K HA 0.402 4.722 4.320 -0.000 0.000 0.192 296 K C 1.524 178.092 176.600 -0.054 0.000 1.029 296 K CA 0.849 57.122 56.287 -0.024 0.000 1.031 296 K CB -0.465 32.010 32.500 -0.042 0.000 0.821 296 K HN 1.659 nan 8.250 nan 0.000 0.502 297 G N 2.630 111.408 108.800 -0.037 0.000 2.246 297 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.273 297 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.273 297 G C 0.497 175.262 174.900 -0.225 0.000 1.055 297 G CA 0.600 45.679 45.100 -0.035 0.000 0.851 297 G HN 0.586 nan 8.290 nan 0.000 0.500 298 M N -2.442 116.898 119.600 -0.433 0.000 2.557 298 M HA 0.240 4.720 4.480 -0.000 0.000 0.259 298 M C 1.332 177.260 176.300 -0.620 0.000 1.086 298 M CA 1.002 55.736 55.300 -0.943 0.000 1.096 298 M CB -0.166 31.941 32.600 -0.822 0.000 1.424 298 M HN 0.190 nan 8.290 nan 0.000 0.488 299 Y N 2.266 122.480 120.300 -0.144 0.000 2.645 299 Y HA 0.285 4.835 4.550 -0.000 0.000 0.307 299 Y C 0.827 176.733 175.900 0.011 0.000 1.151 299 Y CA -0.717 57.362 58.100 -0.034 0.000 1.291 299 Y CB -0.263 38.179 38.460 -0.030 0.000 1.135 299 Y HN 0.266 nan 8.280 nan 0.000 0.523 300 S N -1.229 114.549 115.700 0.131 0.000 2.578 300 S HA 0.352 4.822 4.470 -0.000 0.000 0.283 300 S C 1.185 175.830 174.600 0.075 0.000 1.195 300 S CA -0.982 57.291 58.200 0.121 0.000 1.050 300 S CB 1.837 65.129 63.200 0.153 0.000 1.012 300 S HN 0.375 nan 8.310 nan 0.000 0.511 301 R N 0.614 121.096 120.500 -0.030 0.000 2.133 301 R HA -0.142 4.198 4.340 -0.000 0.000 0.245 301 R C 1.894 178.110 176.300 -0.141 0.000 1.137 301 R CA 1.948 57.911 56.100 -0.229 0.000 0.947 301 R CB -1.060 29.076 30.300 -0.273 0.000 0.865 301 R HN 0.692 nan 8.270 nan 0.000 0.437 302 L N -0.695 120.507 121.223 -0.035 0.000 2.127 302 L HA -0.236 4.104 4.340 -0.000 0.000 0.211 302 L C 2.302 179.144 176.870 -0.047 0.000 1.089 302 L CA 1.343 56.166 54.840 -0.030 0.000 0.757 302 L CB -0.511 41.523 42.059 -0.041 0.000 0.899 302 L HN 0.199 nan 8.230 nan 0.000 0.434 303 Y N 0.443 120.729 120.300 -0.024 0.000 2.092 303 Y HA -0.265 4.285 4.550 -0.000 0.000 0.282 303 Y C 2.874 178.766 175.900 -0.014 0.000 1.126 303 Y CA 2.173 60.256 58.100 -0.028 0.000 1.111 303 Y CB -0.695 37.728 38.460 -0.062 0.000 0.987 303 Y HN 0.056 nan 8.280 nan 0.000 0.489 304 T N -0.827 113.835 114.554 0.179 0.000 2.570 304 T HA -0.279 4.071 4.350 -0.000 0.000 0.266 304 T C 1.459 176.301 174.700 0.236 0.000 1.071 304 T CA 2.197 64.401 62.100 0.175 0.000 1.172 304 T CB -0.734 68.254 68.868 0.198 0.000 0.864 304 T HN 0.534 nan 8.240 nan 0.000 0.421 305 H N -0.549 118.547 119.070 0.044 0.000 2.555 305 H HA 0.196 4.752 4.556 -0.001 0.000 0.269 305 H C 1.586 176.965 175.328 0.086 0.000 0.988 305 H CA 0.249 56.324 56.048 0.045 0.000 1.178 305 H CB 0.350 30.154 29.762 0.069 0.000 1.373 305 H HN 0.191 nan 8.280 nan 0.000 0.588 306 V N -0.589 119.429 119.914 0.173 0.000 3.279 306 V HA -0.091 4.029 4.120 -0.000 0.000 0.213 306 V C 1.784 177.922 176.094 0.073 0.000 1.335 306 V CA -0.054 62.368 62.300 0.203 0.000 1.317 306 V CB -0.029 31.844 31.823 0.083 0.000 1.209 306 V HN 0.138 nan 8.190 nan 0.000 0.525 307 L N 1.601 122.784 121.223 -0.067 0.000 2.127 307 L HA -0.052 4.288 4.340 -0.000 0.000 0.211 307 L C 1.812 178.627 176.870 -0.092 0.000 1.089 307 L CA 1.924 56.678 54.840 -0.143 0.000 0.757 307 L CB -1.326 40.515 42.059 -0.364 0.000 0.899 307 L HN 0.443 nan 8.230 nan 0.000 0.434 308 N N -1.095 117.570 118.700 -0.058 0.000 2.336 308 N HA -0.023 4.717 4.740 -0.000 0.000 0.189 308 N C 1.379 176.767 175.510 -0.203 0.000 1.113 308 N CA 0.241 53.248 53.050 -0.072 0.000 0.858 308 N CB 0.392 38.875 38.487 -0.007 0.000 0.970 308 N HN 0.390 nan 8.380 nan 0.000 0.471 309 Q N -0.619 118.986 119.800 -0.326 0.000 2.316 309 Q HA 0.190 4.529 4.340 -0.000 0.000 0.235 309 Q C -0.515 174.836 176.000 -1.083 0.000 0.863 309 Q CA 0.300 55.708 55.803 -0.659 0.000 0.939 309 Q CB 0.859 29.143 28.738 -0.757 0.000 1.108 309 Q HN 0.326 nan 8.270 nan 0.000 0.522 310 Y N -0.310 119.609 120.300 -0.636 0.000 2.457 310 Y HA 0.238 4.788 4.550 -0.000 0.000 0.343 310 Y C -0.047 175.315 175.900 -0.897 0.000 0.994 310 Y CA -1.137 56.318 58.100 -1.076 0.000 1.031 310 Y CB 1.074 38.709 38.460 -1.376 0.000 1.246 310 Y HN -0.016 nan 8.280 nan 0.000 0.449 311 Y N -0.481 119.611 120.300 -0.347 0.000 2.612 311 Y HA 0.230 4.780 4.550 -0.001 0.000 0.250 311 Y C 0.730 176.584 175.900 -0.076 0.000 1.175 311 Y CA -0.932 57.071 58.100 -0.162 0.000 1.205 311 Y CB -0.144 38.280 38.460 -0.060 0.000 1.201 311 Y HN 0.516 nan 8.280 nan 0.000 0.532 312 F N -1.053 119.081 119.950 0.307 0.000 2.765 312 F HA 0.432 4.958 4.527 -0.000 0.000 0.302 312 F C -0.217 175.629 175.800 0.075 0.000 1.111 312 F CA -1.193 56.905 58.000 0.163 0.000 1.359 312 F CB -0.698 38.375 39.000 0.123 0.000 1.097 312 F HN -0.173 nan 8.300 nan 0.000 0.577 313 V N 2.550 122.441 119.914 -0.038 0.000 2.347 313 V HA 0.212 4.332 4.120 -0.000 0.000 0.280 313 V C 0.746 176.846 176.094 0.010 0.000 1.021 313 V CA -0.380 61.920 62.300 -0.001 0.000 0.847 313 V CB 1.259 32.988 31.823 -0.156 0.000 0.990 313 V HN 0.356 nan 8.190 nan 0.000 0.444 314 E N 4.415 124.649 120.200 0.056 0.000 2.452 314 E HA 0.079 4.429 4.350 -0.000 0.000 0.197 314 E C 0.434 177.055 176.600 0.035 0.000 1.022 314 E CA 0.335 56.766 56.400 0.052 0.000 0.890 314 E CB 0.354 30.100 29.700 0.076 0.000 0.918 314 E HN 0.667 nan 8.360 nan 0.000 0.496 315 N N -0.931 117.790 118.700 0.035 0.000 2.446 315 N HA 0.342 5.081 4.740 -0.000 0.000 0.272 315 N C -2.367 173.148 175.510 0.008 0.000 1.127 315 N CA -0.709 52.352 53.050 0.019 0.000 0.896 315 N CB 2.194 40.724 38.487 0.072 0.000 1.658 315 N HN 0.167 nan 8.380 nan 0.000 0.483 316 C N 3.778 123.052 119.300 -0.043 0.000 2.817 316 C HA 0.782 5.242 4.460 -0.000 0.000 0.385 316 C C -1.620 173.338 174.990 -0.053 0.000 1.050 316 C CA -0.315 58.683 59.018 -0.034 0.000 1.245 316 C CB -0.346 27.356 27.740 -0.063 0.000 1.706 316 C HN 0.657 nan 8.230 nan 0.000 0.488 317 V N 5.476 125.389 119.914 -0.000 0.000 3.114 317 V HA 0.952 5.072 4.120 -0.000 0.000 0.308 317 V C -0.270 175.816 176.094 -0.013 0.000 1.168 317 V CA 0.260 62.559 62.300 -0.002 0.000 1.015 317 V CB 2.277 34.115 31.823 0.025 0.000 1.050 317 V HN 1.490 nan 8.190 nan 0.000 0.433 318 A N 4.557 127.335 122.820 -0.070 0.000 2.292 318 A HA 0.886 5.205 4.320 -0.000 0.000 0.319 318 A C -0.808 176.623 177.584 -0.254 0.000 1.206 318 A CA -0.368 51.526 52.037 -0.239 0.000 0.835 318 A CB 0.520 19.398 19.000 -0.204 0.000 1.164 318 A HN 1.452 nan 8.150 nan 0.000 0.505 319 F N 0.402 120.111 119.950 -0.402 0.000 2.538 319 F HA 0.706 5.233 4.527 -0.000 0.000 0.325 319 F C -0.318 175.056 175.800 -0.710 0.000 1.066 319 F CA -1.542 56.170 58.000 -0.479 0.000 0.946 319 F CB 1.782 40.531 39.000 -0.420 0.000 1.199 319 F HN 0.513 nan 8.300 nan 0.000 0.473 320 N N 1.099 119.620 118.700 -0.297 0.000 2.685 320 N HA 0.132 4.871 4.740 -0.000 0.000 0.252 320 N C -1.672 173.748 175.510 -0.150 0.000 1.261 320 N CA -0.543 52.384 53.050 -0.206 0.000 0.768 320 N CB 0.273 38.721 38.487 -0.066 0.000 1.304 320 N HN 0.686 nan 8.380 nan 0.000 0.536 321 H N 1.149 120.276 119.070 0.094 0.000 2.742 321 H HA 0.162 4.717 4.556 -0.000 0.000 0.302 321 H C -0.492 174.696 175.328 -0.234 0.000 1.069 321 H CA 0.144 56.151 56.048 -0.069 0.000 1.446 321 H CB 1.591 31.420 29.762 0.112 0.000 1.462 321 H HN 0.244 nan 8.280 nan 0.000 0.499 322 S N 4.333 119.800 115.700 -0.387 0.000 2.605 322 S HA 0.484 4.953 4.470 -0.000 0.000 0.308 322 S C -1.103 173.158 174.600 -0.565 0.000 1.113 322 S CA -0.549 57.448 58.200 -0.338 0.000 1.049 322 S CB 0.241 63.355 63.200 -0.143 0.000 1.001 322 S HN 0.395 nan 8.310 nan 0.000 0.480 323 Y N 1.294 121.650 120.300 0.093 0.000 2.772 323 Y HA 0.376 4.926 4.550 -0.000 0.000 0.324 323 Y C 2.086 178.018 175.900 0.054 0.000 1.169 323 Y CA -0.373 57.762 58.100 0.058 0.000 1.198 323 Y CB 0.238 38.714 38.460 0.027 0.000 1.402 323 Y HN 0.647 nan 8.280 nan 0.000 0.577 324 S N -0.131 115.711 115.700 0.236 0.000 2.370 324 S HA -0.197 4.273 4.470 -0.000 0.000 0.226 324 S C 0.709 175.392 174.600 0.138 0.000 1.033 324 S CA 1.984 60.279 58.200 0.158 0.000 1.011 324 S CB -0.430 62.853 63.200 0.139 0.000 0.852 324 S HN 0.822 nan 8.310 nan 0.000 0.457 325 D N -0.672 119.810 120.400 0.137 0.000 2.527 325 D HA 0.442 5.082 4.640 -0.000 0.000 0.224 325 D C 0.285 176.669 176.300 0.140 0.000 1.217 325 D CA 0.015 54.087 54.000 0.119 0.000 0.819 325 D CB 0.360 41.215 40.800 0.091 0.000 1.061 325 D HN 0.361 nan 8.370 nan 0.000 0.515 326 S N -1.852 113.959 115.700 0.185 0.000 2.669 326 S HA 0.702 5.171 4.470 -0.000 0.000 0.266 326 S C -1.335 173.446 174.600 0.302 0.000 1.149 326 S CA -0.127 58.212 58.200 0.231 0.000 0.842 326 S CB 1.120 64.515 63.200 0.325 0.000 1.160 326 S HN 0.606 nan 8.310 nan 0.000 0.487 327 G N 0.140 109.135 108.800 0.325 0.000 2.441 327 G HA2 0.572 4.532 3.960 -0.000 0.000 0.294 327 G HA3 0.572 4.532 3.960 -0.000 0.000 0.294 327 G C -2.226 172.841 174.900 0.278 0.000 1.393 327 G CA -0.529 44.762 45.100 0.319 0.000 0.796 327 G HN 0.800 nan 8.290 nan 0.000 0.494 328 I N 0.024 120.773 120.570 0.298 0.000 2.533 328 I HA 0.537 4.706 4.170 -0.000 0.000 0.290 328 I C -1.505 174.824 176.117 0.354 0.000 1.056 328 I CA -0.638 60.839 61.300 0.295 0.000 1.057 328 I CB 2.386 40.571 38.000 0.308 0.000 1.240 328 I HN 0.419 nan 8.210 nan 0.000 0.423 329 F N 4.423 124.433 119.950 0.101 0.000 2.529 329 F HA 0.869 5.395 4.527 -0.001 0.000 0.320 329 F C 0.139 175.799 175.800 -0.234 0.000 1.118 329 F CA 0.013 57.960 58.000 -0.089 0.000 0.915 329 F CB 1.930 40.805 39.000 -0.208 0.000 1.161 329 F HN 0.558 nan 8.300 nan 0.000 0.445 330 G N 4.874 112.897 108.800 -1.295 0.000 2.341 330 G HA2 0.429 4.388 3.960 -0.000 0.000 0.299 330 G HA3 0.429 4.388 3.960 -0.000 0.000 0.299 330 G C -2.106 171.915 174.900 -1.465 0.000 1.274 330 G CA -0.830 43.612 45.100 -1.096 0.000 0.853 330 G HN 0.638 nan 8.290 nan 0.000 0.493 331 I N 0.633 120.803 120.570 -0.667 0.000 2.569 331 I HA 0.579 4.749 4.170 -0.000 0.000 0.296 331 I C -0.056 176.111 176.117 0.084 0.000 1.028 331 I CA -0.836 60.293 61.300 -0.285 0.000 1.082 331 I CB 2.217 40.161 38.000 -0.094 0.000 1.264 331 I HN 0.430 nan 8.210 nan 0.000 0.429 332 S N 6.190 122.008 115.700 0.197 0.000 2.509 332 S HA 0.714 5.183 4.470 -0.000 0.000 0.297 332 S C -1.148 173.534 174.600 0.136 0.000 1.118 332 S CA -0.553 57.793 58.200 0.243 0.000 1.074 332 S CB 1.188 64.549 63.200 0.267 0.000 1.038 332 S HN 0.459 nan 8.310 nan 0.000 0.498 333 L N 3.986 125.297 121.223 0.147 0.000 2.476 333 L HA 0.589 4.928 4.340 -0.000 0.000 0.269 333 L C -1.160 175.830 176.870 0.199 0.000 0.965 333 L CA -0.102 54.820 54.840 0.136 0.000 0.845 333 L CB 1.568 43.695 42.059 0.113 0.000 1.259 333 L HN 0.695 nan 8.230 nan 0.000 0.403 334 S N 4.106 119.920 115.700 0.191 0.000 2.472 334 S HA 0.854 5.324 4.470 -0.000 0.000 0.303 334 S C -0.246 174.434 174.600 0.135 0.000 1.099 334 S CA -0.469 57.862 58.200 0.218 0.000 1.077 334 S CB 1.351 64.735 63.200 0.307 0.000 1.031 334 S HN 0.874 nan 8.310 nan 0.000 0.487 335 C N 1.822 121.182 119.300 0.100 0.000 3.336 335 C HA 0.662 5.122 4.460 -0.000 0.000 0.339 335 C C -0.981 174.018 174.990 0.015 0.000 1.468 335 C CA -1.150 57.933 59.018 0.109 0.000 1.287 335 C CB -0.252 27.603 27.740 0.191 0.000 1.682 335 C HN 0.613 nan 8.230 nan 0.000 0.451 336 I N 2.292 122.876 120.570 0.023 0.000 2.648 336 I HA 0.226 4.396 4.170 -0.000 0.000 0.284 336 I C -1.134 174.799 176.117 -0.306 0.000 1.153 336 I CA -2.051 59.189 61.300 -0.099 0.000 1.426 336 I CB 0.303 38.294 38.000 -0.015 0.000 1.381 336 I HN 0.549 nan 8.210 nan 0.000 0.571 337 P HA -0.214 nan 4.420 nan 0.000 0.217 337 P C 1.253 178.169 177.300 -0.640 0.000 1.148 337 P CA 1.375 63.846 63.100 -1.050 0.000 0.834 337 P CB 0.284 31.372 31.700 -1.021 0.000 0.783 338 Q N -0.848 118.713 119.800 -0.399 0.000 2.124 338 Q HA -0.062 4.278 4.340 -0.000 0.000 0.202 338 Q C 2.193 177.987 176.000 -0.344 0.000 0.977 338 Q CA 1.903 57.524 55.803 -0.304 0.000 0.850 338 Q CB -1.386 27.225 28.738 -0.211 0.000 0.901 338 Q HN 0.213 nan 8.270 nan 0.000 0.429 339 A N 0.032 122.620 122.820 -0.387 0.000 2.119 339 A HA 0.189 4.509 4.320 -0.000 0.000 0.216 339 A C 2.156 179.514 177.584 -0.377 0.000 1.152 339 A CA 0.970 52.692 52.037 -0.525 0.000 0.708 339 A CB -0.657 17.938 19.000 -0.675 0.000 0.805 339 A HN 0.318 nan 8.150 nan 0.000 0.460 340 A N 1.222 123.823 122.820 -0.365 0.000 1.944 340 A HA -0.227 4.093 4.320 -0.000 0.000 0.222 340 A C 0.167 177.533 177.584 -0.363 0.000 1.237 340 A CA 2.454 54.216 52.037 -0.459 0.000 0.668 340 A CB -1.920 16.720 19.000 -0.599 0.000 0.830 340 A HN 0.469 nan 8.150 nan 0.000 0.471 341 P HA -0.132 nan 4.420 nan 0.000 0.221 341 P C 1.239 178.474 177.300 -0.107 0.000 1.145 341 P CA 1.428 64.431 63.100 -0.161 0.000 0.795 341 P CB -0.051 31.560 31.700 -0.149 0.000 0.775 342 Q N -1.525 118.180 119.800 -0.159 0.000 2.402 342 Q HA 0.159 4.499 4.340 -0.000 0.000 0.206 342 Q C 2.081 178.047 176.000 -0.056 0.000 0.919 342 Q CA 0.426 56.155 55.803 -0.123 0.000 0.923 342 Q CB -0.345 28.259 28.738 -0.222 0.000 1.048 342 Q HN 0.122 nan 8.270 nan 0.000 0.515 343 A N 0.990 123.809 122.820 -0.003 0.000 1.870 343 A HA -0.248 4.072 4.320 -0.000 0.000 0.219 343 A C 2.277 179.907 177.584 0.077 0.000 1.224 343 A CA 2.064 54.159 52.037 0.097 0.000 0.650 343 A CB -1.149 18.023 19.000 0.287 0.000 0.836 343 A HN 0.208 nan 8.150 nan 0.000 0.454 344 V N -0.131 119.853 119.914 0.116 0.000 2.252 344 V HA -0.347 3.773 4.120 -0.000 0.000 0.249 344 V C 2.595 178.660 176.094 -0.048 0.000 1.056 344 V CA 2.712 65.041 62.300 0.048 0.000 1.022 344 V CB -0.878 30.985 31.823 0.067 0.000 0.641 344 V HN 0.805 nan 8.190 nan 0.000 0.445 345 E N -0.198 119.969 120.200 -0.055 0.000 2.070 345 E HA -0.222 4.128 4.350 -0.000 0.000 0.197 345 E C 2.130 178.621 176.600 -0.181 0.000 1.004 345 E CA 1.938 58.255 56.400 -0.138 0.000 0.805 345 E CB -0.139 29.542 29.700 -0.031 0.000 0.744 345 E HN 0.407 nan 8.360 nan 0.000 0.451 346 V N 1.132 120.977 119.914 -0.114 0.000 2.324 346 V HA -0.307 3.812 4.120 -0.000 0.000 0.250 346 V C 2.323 178.353 176.094 -0.106 0.000 1.060 346 V CA 1.990 64.219 62.300 -0.118 0.000 1.042 346 V CB -0.480 31.238 31.823 -0.176 0.000 0.650 346 V HN 0.358 nan 8.190 nan 0.000 0.450 347 I N 0.295 120.807 120.570 -0.097 0.000 2.202 347 I HA -0.177 3.993 4.170 -0.000 0.000 0.242 347 I C 2.747 178.773 176.117 -0.152 0.000 1.091 347 I CA 1.339 62.590 61.300 -0.083 0.000 1.368 347 I CB -0.779 37.199 38.000 -0.038 0.000 1.058 347 I HN 0.272 nan 8.210 nan 0.000 0.410 348 A N 0.460 123.132 122.820 -0.245 0.000 1.892 348 A HA -0.313 4.007 4.320 -0.000 0.000 0.218 348 A C 2.285 179.586 177.584 -0.472 0.000 1.188 348 A CA 1.987 53.782 52.037 -0.404 0.000 0.631 348 A CB -0.814 17.767 19.000 -0.699 0.000 0.822 348 A HN 0.488 nan 8.150 nan 0.000 0.447 349 Q N -1.271 118.229 119.800 -0.501 0.000 2.002 349 Q HA -0.247 4.093 4.340 -0.000 0.000 0.204 349 Q C 2.451 178.464 176.000 0.022 0.000 0.988 349 Q CA 1.706 57.411 55.803 -0.163 0.000 0.843 349 Q CB -0.257 28.460 28.738 -0.035 0.000 0.908 349 Q HN 0.629 nan 8.270 nan 0.000 0.420 350 Q N 0.083 119.883 119.800 -0.001 0.000 2.096 350 Q HA -0.209 4.130 4.340 -0.000 0.000 0.208 350 Q C 2.013 178.000 176.000 -0.022 0.000 0.993 350 Q CA 1.683 57.508 55.803 0.038 0.000 0.862 350 Q CB -0.451 28.298 28.738 0.019 0.000 0.915 350 Q HN 0.494 nan 8.270 nan 0.000 0.416 351 M N -1.081 118.413 119.600 -0.178 0.000 2.065 351 M HA -0.225 4.255 4.480 -0.000 0.000 0.259 351 M C 2.141 178.326 176.300 -0.191 0.000 1.069 351 M CA 1.755 56.727 55.300 -0.546 0.000 1.110 351 M CB -0.593 31.476 32.600 -0.885 0.000 1.328 351 M HN 0.180 nan 8.290 nan 0.000 0.405 352 Y N 1.816 122.030 120.300 -0.143 0.000 2.114 352 Y HA -0.284 4.266 4.550 -0.000 0.000 0.282 352 Y C 1.944 177.729 175.900 -0.192 0.000 1.165 352 Y CA 1.779 59.802 58.100 -0.128 0.000 1.148 352 Y CB -0.371 38.118 38.460 0.050 0.000 0.972 352 Y HN 0.294 nan 8.280 nan 0.000 0.504 353 N N -0.306 118.459 118.700 0.108 0.000 2.635 353 N HA -0.114 4.626 4.740 -0.000 0.000 0.191 353 N C 1.527 177.062 175.510 0.042 0.000 1.155 353 N CA 1.458 54.550 53.050 0.071 0.000 0.927 353 N CB -0.612 37.984 38.487 0.181 0.000 0.976 353 N HN 0.631 nan 8.380 nan 0.000 0.448 354 T N -2.986 111.635 114.554 0.112 0.000 3.081 354 T HA 0.069 4.419 4.350 -0.000 0.000 0.255 354 T C 1.206 176.079 174.700 0.288 0.000 1.113 354 T CA 0.276 62.512 62.100 0.227 0.000 1.082 354 T CB -0.158 68.924 68.868 0.356 0.000 0.939 354 T HN 0.315 nan 8.240 nan 0.000 0.506 355 F N -0.703 119.199 119.950 -0.081 0.000 2.440 355 F HA 0.710 5.237 4.527 -0.001 0.000 0.341 355 F C 1.875 177.551 175.800 -0.206 0.000 0.812 355 F CA -0.257 57.681 58.000 -0.104 0.000 1.031 355 F CB -0.306 38.656 39.000 -0.062 0.000 0.993 355 F HN 0.063 nan 8.300 nan 0.000 0.667 356 A N 0.703 122.466 122.820 -1.761 0.000 2.067 356 A HA 0.071 4.391 4.320 -0.000 0.000 0.217 356 A C 0.944 177.931 177.584 -0.995 0.000 1.156 356 A CA 0.932 52.038 52.037 -1.553 0.000 0.683 356 A CB -0.748 16.823 19.000 -2.382 0.000 0.808 356 A HN 0.420 nan 8.150 nan 0.000 0.455 357 N N 0.734 118.993 118.700 -0.735 0.000 2.439 357 N HA 0.081 4.820 4.740 -0.000 0.000 0.249 357 N C 0.735 176.173 175.510 -0.121 0.000 1.003 357 N CA 0.000 52.922 53.050 -0.213 0.000 0.942 357 N CB 1.060 39.556 38.487 0.015 0.000 1.115 357 N HN 0.492 nan 8.380 nan 0.000 0.505 358 K N 2.108 122.466 120.400 -0.071 0.000 2.362 358 K HA -0.010 4.309 4.320 -0.000 0.000 0.200 358 K C -0.167 176.426 176.600 -0.011 0.000 1.046 358 K CA 1.037 57.300 56.287 -0.040 0.000 0.952 358 K CB 0.366 32.850 32.500 -0.027 0.000 0.753 358 K HN 0.348 nan 8.250 nan 0.000 0.466 359 D N 0.552 120.954 120.400 0.004 0.000 2.363 359 D HA 0.129 4.768 4.640 -0.000 0.000 0.214 359 D C 0.535 176.851 176.300 0.027 0.000 1.093 359 D CA 0.270 54.279 54.000 0.015 0.000 0.837 359 D CB 0.569 41.379 40.800 0.017 0.000 0.948 359 D HN 0.212 nan 8.370 nan 0.000 0.507 360 L N 0.473 121.714 121.223 0.030 0.000 3.483 360 L HA 0.199 4.538 4.340 -0.000 0.000 0.327 360 L C 0.290 177.190 176.870 0.050 0.000 1.318 360 L CA -0.460 54.415 54.840 0.059 0.000 0.979 360 L CB 0.955 43.069 42.059 0.092 0.000 1.404 360 L HN -0.271 nan 8.230 nan 0.000 0.615 361 R N 1.009 121.525 120.500 0.025 0.000 2.740 361 R HA 0.101 4.441 4.340 -0.000 0.000 0.263 361 R C -0.231 176.095 176.300 0.043 0.000 0.997 361 R CA 0.440 56.554 56.100 0.023 0.000 1.108 361 R CB 0.219 30.528 30.300 0.014 0.000 0.969 361 R HN 0.143 nan 8.270 nan 0.000 0.431 362 L N 2.788 124.040 121.223 0.048 0.000 2.410 362 L HA 0.131 4.471 4.340 -0.000 0.000 0.273 362 L C 1.027 177.920 176.870 0.039 0.000 1.144 362 L CA -0.114 54.756 54.840 0.051 0.000 0.863 362 L CB 0.451 42.542 42.059 0.053 0.000 1.140 362 L HN 0.772 nan 8.230 nan 0.000 0.463 363 T N -0.962 113.616 114.554 0.040 0.000 2.828 363 T HA 0.095 4.445 4.350 -0.000 0.000 0.290 363 T C 1.051 175.765 174.700 0.023 0.000 1.019 363 T CA -0.679 61.440 62.100 0.031 0.000 1.031 363 T CB 1.273 70.162 68.868 0.035 0.000 1.001 363 T HN 0.586 nan 8.240 nan 0.000 0.531 364 E N 0.814 121.024 120.200 0.016 0.000 2.077 364 E HA -0.138 4.211 4.350 -0.000 0.000 0.193 364 E C 1.755 178.360 176.600 0.008 0.000 0.989 364 E CA 1.416 57.822 56.400 0.010 0.000 0.800 364 E CB -0.140 29.563 29.700 0.005 0.000 0.746 364 E HN 0.705 nan 8.360 nan 0.000 0.452 365 D N 0.677 121.081 120.400 0.008 0.000 2.097 365 D HA -0.130 4.510 4.640 -0.000 0.000 0.197 365 D C 1.863 178.167 176.300 0.008 0.000 0.984 365 D CA 0.817 54.818 54.000 0.001 0.000 0.826 365 D CB -0.016 40.782 40.800 -0.002 0.000 0.973 365 D HN 0.306 nan 8.370 nan 0.000 0.460 366 E N 0.539 120.753 120.200 0.022 0.000 2.038 366 E HA -0.143 4.206 4.350 -0.000 0.000 0.195 366 E C 2.385 179.002 176.600 0.029 0.000 1.000 366 E CA 0.787 57.206 56.400 0.032 0.000 0.803 366 E CB -0.029 29.695 29.700 0.041 0.000 0.750 366 E HN 0.050 nan 8.360 nan 0.000 0.448 367 V N 1.086 121.015 119.914 0.025 0.000 2.332 367 V HA -0.271 3.849 4.120 -0.000 0.000 0.248 367 V C 2.518 178.622 176.094 0.015 0.000 1.055 367 V CA 1.997 64.311 62.300 0.022 0.000 1.038 367 V CB -0.471 31.363 31.823 0.018 0.000 0.651 367 V HN 0.301 nan 8.190 nan 0.000 0.450 368 S N -0.225 115.480 115.700 0.008 0.000 2.368 368 S HA -0.237 4.233 4.470 -0.000 0.000 0.224 368 S C 2.219 176.819 174.600 0.001 0.000 1.029 368 S CA 1.735 59.936 58.200 0.001 0.000 0.988 368 S CB -0.319 62.877 63.200 -0.006 0.000 0.838 368 S HN 0.569 nan 8.310 nan 0.000 0.462 369 R N 0.564 121.065 120.500 0.002 0.000 2.081 369 R HA -0.006 4.334 4.340 -0.000 0.000 0.235 369 R C 2.443 178.753 176.300 0.017 0.000 1.131 369 R CA 1.353 57.454 56.100 0.002 0.000 0.960 369 R CB -0.826 29.473 30.300 -0.001 0.000 0.856 369 R HN 0.483 nan 8.270 nan 0.000 0.436 370 A N 1.551 124.387 122.820 0.027 0.000 1.859 370 A HA -0.237 4.082 4.320 -0.000 0.000 0.217 370 A C 2.029 179.632 177.584 0.032 0.000 1.198 370 A CA 1.993 54.052 52.037 0.037 0.000 0.629 370 A CB -0.520 18.506 19.000 0.044 0.000 0.830 370 A HN 0.396 nan 8.150 nan 0.000 0.446 371 K N -0.383 120.031 120.400 0.023 0.000 2.044 371 K HA -0.182 4.138 4.320 -0.000 0.000 0.210 371 K C 1.823 178.429 176.600 0.011 0.000 1.049 371 K CA 1.599 57.895 56.287 0.016 0.000 0.927 371 K CB -0.298 32.205 32.500 0.004 0.000 0.713 371 K HN 0.440 nan 8.250 nan 0.000 0.443 372 N N 0.939 119.643 118.700 0.007 0.000 2.244 372 N HA -0.136 4.604 4.740 -0.000 0.000 0.183 372 N C 1.746 177.263 175.510 0.011 0.000 1.016 372 N CA 1.108 54.160 53.050 0.003 0.000 0.866 372 N CB 0.017 38.503 38.487 -0.003 0.000 0.980 372 N HN 0.364 nan 8.380 nan 0.000 0.430 373 Q N 0.110 119.922 119.800 0.020 0.000 2.123 373 Q HA -0.051 4.288 4.340 -0.000 0.000 0.199 373 Q C 1.982 178.002 176.000 0.032 0.000 0.966 373 Q CA 0.524 56.343 55.803 0.027 0.000 0.845 373 Q CB -0.082 28.677 28.738 0.034 0.000 0.907 373 Q HN 0.193 nan 8.270 nan 0.000 0.439 374 L N 1.652 122.898 121.223 0.037 0.000 1.976 374 L HA -0.203 4.137 4.340 -0.000 0.000 0.209 374 L C 1.957 178.851 176.870 0.040 0.000 1.071 374 L CA 1.932 56.800 54.840 0.048 0.000 0.746 374 L CB -0.504 41.591 42.059 0.061 0.000 0.890 374 L HN -0.015 nan 8.230 nan 0.000 0.432 375 K N -0.772 119.643 120.400 0.025 0.000 2.059 375 K HA -0.232 4.088 4.320 -0.000 0.000 0.212 375 K C 2.333 178.942 176.600 0.015 0.000 1.050 375 K CA 1.812 58.106 56.287 0.011 0.000 0.927 375 K CB -0.568 31.928 32.500 -0.006 0.000 0.714 375 K HN 0.461 nan 8.250 nan 0.000 0.447 376 S N 0.856 116.566 115.700 0.016 0.000 2.343 376 S HA -0.181 4.288 4.470 -0.000 0.000 0.219 376 S C 2.214 176.827 174.600 0.023 0.000 1.033 376 S CA 2.033 60.242 58.200 0.017 0.000 1.014 376 S CB -0.373 62.837 63.200 0.016 0.000 0.915 376 S HN 0.479 nan 8.310 nan 0.000 0.435 377 S N 1.406 117.123 115.700 0.028 0.000 2.370 377 S HA -0.084 4.386 4.470 -0.000 0.000 0.226 377 S C 1.935 176.554 174.600 0.033 0.000 1.033 377 S CA 1.470 59.688 58.200 0.031 0.000 1.011 377 S CB -0.878 62.343 63.200 0.035 0.000 0.852 377 S HN 0.544 nan 8.310 nan 0.000 0.457 378 L N 0.741 121.987 121.223 0.037 0.000 1.948 378 L HA -0.053 4.287 4.340 -0.000 0.000 0.212 378 L C 2.818 179.706 176.870 0.030 0.000 1.074 378 L CA 1.643 56.507 54.840 0.040 0.000 0.753 378 L CB -0.889 41.202 42.059 0.052 0.000 0.888 378 L HN 0.312 nan 8.230 nan 0.000 0.432 379 L N -0.791 120.446 121.223 0.024 0.000 2.021 379 L HA -0.319 4.021 4.340 -0.000 0.000 0.215 379 L C 2.748 179.631 176.870 0.021 0.000 1.074 379 L CA 1.638 56.489 54.840 0.018 0.000 0.760 379 L CB -0.444 41.621 42.059 0.011 0.000 0.889 379 L HN 0.374 nan 8.230 nan 0.000 0.433 380 M N -1.132 118.481 119.600 0.022 0.000 2.213 380 M HA -0.224 4.256 4.480 -0.000 0.000 0.263 380 M C 1.998 178.315 176.300 0.029 0.000 1.062 380 M CA 1.673 56.988 55.300 0.024 0.000 1.105 380 M CB -0.593 32.021 32.600 0.024 0.000 1.385 380 M HN 0.368 nan 8.290 nan 0.000 0.417 381 N N 0.461 119.179 118.700 0.030 0.000 2.171 381 N HA -0.092 4.648 4.740 -0.000 0.000 0.184 381 N C 1.403 176.933 175.510 0.035 0.000 1.021 381 N CA 0.592 53.662 53.050 0.033 0.000 0.854 381 N CB 0.273 38.780 38.487 0.032 0.000 0.994 381 N HN 0.180 nan 8.380 nan 0.000 0.426 382 L N 1.879 123.120 121.223 0.031 0.000 2.642 382 L HA -0.063 4.277 4.340 -0.000 0.000 0.236 382 L C 1.524 178.413 176.870 0.032 0.000 1.169 382 L CA 1.285 56.143 54.840 0.030 0.000 0.851 382 L CB -1.012 41.060 42.059 0.022 0.000 0.968 382 L HN 0.260 nan 8.230 nan 0.000 0.453 383 E N -1.009 119.211 120.200 0.034 0.000 2.409 383 E HA -0.078 4.271 4.350 -0.000 0.000 0.198 383 E C 0.844 177.473 176.600 0.048 0.000 1.024 383 E CA 0.056 56.477 56.400 0.035 0.000 0.861 383 E CB 0.217 29.938 29.700 0.036 0.000 0.788 383 E HN 0.187 nan 8.360 nan 0.000 0.521 384 S N 0.366 116.101 115.700 0.057 0.000 2.452 384 S HA 0.130 4.600 4.470 -0.000 0.000 0.284 384 S C 0.786 175.439 174.600 0.090 0.000 1.171 384 S CA -0.530 57.720 58.200 0.082 0.000 1.064 384 S CB 1.012 64.260 63.200 0.079 0.000 0.967 384 S HN 0.016 nan 8.310 nan 0.000 0.484 385 K N 3.524 123.994 120.400 0.117 0.000 2.074 385 K HA -0.101 4.219 4.320 -0.000 0.000 0.209 385 K C 1.571 178.252 176.600 0.134 0.000 1.048 385 K CA 1.326 57.683 56.287 0.116 0.000 0.926 385 K CB -0.161 32.428 32.500 0.147 0.000 0.713 385 K HN 0.525 nan 8.250 nan 0.000 0.444 386 L N 0.494 121.808 121.223 0.151 0.000 2.083 386 L HA -0.150 4.189 4.340 -0.000 0.000 0.209 386 L C 2.276 179.206 176.870 0.100 0.000 1.083 386 L CA 1.419 56.334 54.840 0.124 0.000 0.752 386 L CB -0.916 41.201 42.059 0.098 0.000 0.899 386 L HN 0.026 nan 8.230 nan 0.000 0.433 387 V N -0.343 119.620 119.914 0.082 0.000 2.379 387 V HA -0.245 3.875 4.120 -0.000 0.000 0.245 387 V C 2.551 178.676 176.094 0.051 0.000 1.044 387 V CA 1.515 63.852 62.300 0.063 0.000 1.036 387 V CB -0.403 31.451 31.823 0.051 0.000 0.664 387 V HN 0.486 nan 8.190 nan 0.000 0.453 388 E N 0.155 120.387 120.200 0.053 0.000 2.070 388 E HA -0.297 4.053 4.350 -0.000 0.000 0.197 388 E C 2.170 178.791 176.600 0.034 0.000 1.004 388 E CA 1.907 58.330 56.400 0.038 0.000 0.805 388 E CB -0.213 29.515 29.700 0.047 0.000 0.744 388 E HN 0.423 nan 8.360 nan 0.000 0.451 389 L N 1.639 122.902 121.223 0.067 0.000 1.956 389 L HA -0.253 4.087 4.340 -0.000 0.000 0.216 389 L C 2.429 179.305 176.870 0.010 0.000 1.073 389 L CA 2.663 57.550 54.840 0.077 0.000 0.762 389 L CB -0.836 41.312 42.059 0.148 0.000 0.889 389 L HN 0.296 nan 8.230 nan 0.000 0.433 390 E N -0.801 119.445 120.200 0.078 0.000 2.070 390 E HA -0.349 4.001 4.350 -0.000 0.000 0.197 390 E C 1.946 178.483 176.600 -0.105 0.000 1.004 390 E CA 1.850 58.278 56.400 0.048 0.000 0.805 390 E CB -0.322 29.460 29.700 0.136 0.000 0.744 390 E HN 0.742 nan 8.360 nan 0.000 0.451 391 D N -0.211 120.159 120.400 -0.051 0.000 2.133 391 D HA -0.237 4.403 4.640 -0.000 0.000 0.195 391 D C 2.174 178.394 176.300 -0.134 0.000 0.997 391 D CA 1.870 55.829 54.000 -0.069 0.000 0.840 391 D CB -0.150 40.633 40.800 -0.030 0.000 0.947 391 D HN 0.287 nan 8.370 nan 0.000 0.452 392 M N -0.420 119.094 119.600 -0.143 0.000 2.132 392 M HA -0.006 4.474 4.480 -0.000 0.000 0.263 392 M C 2.181 178.341 176.300 -0.234 0.000 1.065 392 M CA 1.987 57.192 55.300 -0.158 0.000 1.122 392 M CB -0.413 32.150 32.600 -0.063 0.000 1.365 392 M HN 0.156 nan 8.290 nan 0.000 0.411 393 G N 0.802 109.329 108.800 -0.454 0.000 2.459 393 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.217 393 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.217 393 G C 1.527 176.113 174.900 -0.523 0.000 1.183 393 G CA 0.972 45.580 45.100 -0.820 0.000 0.776 393 G HN 0.505 nan 8.290 nan 0.000 0.552 394 R N -0.075 120.176 120.500 -0.416 0.000 2.092 394 R HA -0.006 4.334 4.340 -0.000 0.000 0.231 394 R C 2.791 178.970 176.300 -0.202 0.000 1.119 394 R CA 1.241 57.223 56.100 -0.197 0.000 0.970 394 R CB -0.320 29.923 30.300 -0.095 0.000 0.864 394 R HN 0.443 nan 8.270 nan 0.000 0.440 395 Q N 0.250 119.912 119.800 -0.231 0.000 2.046 395 Q HA -0.118 4.222 4.340 -0.000 0.000 0.200 395 Q C 2.297 178.055 176.000 -0.404 0.000 0.975 395 Q CA 1.528 57.121 55.803 -0.349 0.000 0.836 395 Q CB -0.037 28.581 28.738 -0.201 0.000 0.896 395 Q HN 0.170 nan 8.270 nan 0.000 0.428 396 V N 1.178 120.974 119.914 -0.197 0.000 2.287 396 V HA -0.272 3.848 4.120 -0.000 0.000 0.248 396 V C 2.252 178.294 176.094 -0.088 0.000 1.053 396 V CA 1.538 63.795 62.300 -0.072 0.000 1.027 396 V CB -0.556 31.293 31.823 0.043 0.000 0.646 396 V HN 0.319 nan 8.190 nan 0.000 0.447 397 L N -1.060 120.106 121.223 -0.095 0.000 2.129 397 L HA -0.214 4.125 4.340 -0.000 0.000 0.212 397 L C 2.182 179.011 176.870 -0.069 0.000 1.087 397 L CA 2.220 57.031 54.840 -0.048 0.000 0.757 397 L CB -0.431 41.620 42.059 -0.013 0.000 0.896 397 L HN 0.343 nan 8.230 nan 0.000 0.434 398 M N -1.772 117.725 119.600 -0.171 0.000 2.398 398 M HA -0.037 4.442 4.480 -0.000 0.000 0.261 398 M C 1.094 177.336 176.300 -0.096 0.000 1.125 398 M CA 1.147 56.360 55.300 -0.145 0.000 1.183 398 M CB -0.013 32.481 32.600 -0.176 0.000 1.322 398 M HN 0.452 nan 8.290 nan 0.000 0.467 399 H N -2.241 116.844 119.070 0.026 0.000 2.567 399 H HA 0.397 4.953 4.556 -0.000 0.000 0.267 399 H C 0.762 176.111 175.328 0.035 0.000 1.148 399 H CA 0.267 56.330 56.048 0.026 0.000 1.031 399 H CB -0.481 29.291 29.762 0.016 0.000 1.691 399 H HN 0.611 nan 8.280 nan 0.000 0.588 400 G N 2.599 111.418 108.800 0.032 0.000 2.321 400 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.287 400 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.287 400 G C 0.098 175.093 174.900 0.157 0.000 1.018 400 G CA 0.747 45.897 45.100 0.083 0.000 0.855 400 G HN 0.810 nan 8.290 nan 0.000 0.507 401 R N -2.086 118.520 120.500 0.175 0.000 2.663 401 R HA 0.694 5.033 4.340 -0.000 0.000 0.267 401 R C -1.035 175.288 176.300 0.037 0.000 1.038 401 R CA -1.258 54.964 56.100 0.204 0.000 0.886 401 R CB 1.284 31.700 30.300 0.194 0.000 1.249 401 R HN 0.106 nan 8.270 nan 0.000 0.463 402 K N 3.078 123.292 120.400 -0.309 0.000 2.316 402 K HA 0.302 4.622 4.320 -0.000 0.000 0.267 402 K C -0.542 175.874 176.600 -0.307 0.000 1.025 402 K CA -0.692 55.280 56.287 -0.525 0.000 0.896 402 K CB 1.223 32.945 32.500 -1.297 0.000 1.124 402 K HN 0.714 nan 8.250 nan 0.000 0.451 403 I N 7.422 127.933 120.570 -0.098 0.000 2.662 403 I HA 0.056 4.226 4.170 -0.000 0.000 0.285 403 I C -1.845 174.228 176.117 -0.073 0.000 1.161 403 I CA -1.535 59.737 61.300 -0.046 0.000 1.415 403 I CB 0.781 38.792 38.000 0.020 0.000 1.385 403 I HN 0.580 nan 8.210 nan 0.000 0.552 404 P HA -0.008 nan 4.420 nan 0.000 0.271 404 P C 0.937 178.219 177.300 -0.031 0.000 1.218 404 P CA -0.214 62.860 63.100 -0.044 0.000 0.780 404 P CB 1.104 32.794 31.700 -0.016 0.000 0.901 405 V N 2.788 122.686 119.914 -0.027 0.000 2.332 405 V HA -0.313 3.807 4.120 -0.000 0.000 0.248 405 V C 2.292 178.365 176.094 -0.036 0.000 1.055 405 V CA 2.342 64.628 62.300 -0.024 0.000 1.038 405 V CB -1.722 30.092 31.823 -0.016 0.000 0.651 405 V HN 0.574 nan 8.190 nan 0.000 0.450 406 N N 0.087 118.769 118.700 -0.031 0.000 2.037 406 N HA -0.312 4.428 4.740 -0.000 0.000 0.196 406 N C 2.013 177.488 175.510 -0.058 0.000 1.034 406 N CA 1.848 54.876 53.050 -0.038 0.000 0.861 406 N CB -0.261 38.211 38.487 -0.025 0.000 1.039 406 N HN 0.640 nan 8.380 nan 0.000 0.427 407 E N 0.860 121.029 120.200 -0.052 0.000 2.058 407 E HA -0.250 4.100 4.350 -0.000 0.000 0.194 407 E C 2.115 178.638 176.600 -0.129 0.000 0.997 407 E CA 1.035 57.396 56.400 -0.066 0.000 0.801 407 E CB -0.017 29.663 29.700 -0.035 0.000 0.746 407 E HN 0.335 nan 8.360 nan 0.000 0.450 408 M N 0.472 119.998 119.600 -0.124 0.000 2.059 408 M HA -0.193 4.287 4.480 -0.000 0.000 0.259 408 M C 2.189 178.283 176.300 -0.343 0.000 1.072 408 M CA 1.672 56.824 55.300 -0.247 0.000 1.117 408 M CB -0.193 32.368 32.600 -0.065 0.000 1.320 408 M HN 0.169 nan 8.290 nan 0.000 0.408 409 I N -0.018 120.443 120.570 -0.181 0.000 2.151 409 I HA -0.348 3.822 4.170 -0.000 0.000 0.243 409 I C 2.427 178.442 176.117 -0.170 0.000 1.080 409 I CA 1.576 62.786 61.300 -0.150 0.000 1.339 409 I CB -0.557 37.393 38.000 -0.084 0.000 1.039 409 I HN 0.407 nan 8.210 nan 0.000 0.409 410 S N 0.636 116.245 115.700 -0.152 0.000 2.365 410 S HA -0.258 4.212 4.470 -0.000 0.000 0.221 410 S C 1.919 176.420 174.600 -0.165 0.000 1.037 410 S CA 1.611 59.734 58.200 -0.128 0.000 1.060 410 S CB -0.292 62.849 63.200 -0.099 0.000 0.974 410 S HN 0.360 nan 8.310 nan 0.000 0.427 411 K N 0.533 120.786 120.400 -0.245 0.000 2.160 411 K HA -0.087 4.233 4.320 -0.000 0.000 0.206 411 K C 1.931 178.381 176.600 -0.249 0.000 1.047 411 K CA 1.265 57.397 56.287 -0.258 0.000 0.930 411 K CB -0.349 31.923 32.500 -0.380 0.000 0.720 411 K HN 0.397 nan 8.250 nan 0.000 0.450 412 I N 0.774 121.153 120.570 -0.319 0.000 2.286 412 I HA -0.218 3.952 4.170 -0.000 0.000 0.245 412 I C 1.989 178.054 176.117 -0.088 0.000 1.104 412 I CA 1.219 62.414 61.300 -0.174 0.000 1.397 412 I CB -0.256 37.649 38.000 -0.159 0.000 1.072 412 I HN 0.200 nan 8.210 nan 0.000 0.417 413 E N 0.859 121.004 120.200 -0.091 0.000 2.153 413 E HA -0.217 4.133 4.350 -0.000 0.000 0.194 413 E C 1.254 177.828 176.600 -0.045 0.000 0.988 413 E CA 1.068 57.434 56.400 -0.057 0.000 0.811 413 E CB -0.097 29.570 29.700 -0.056 0.000 0.746 413 E HN 0.446 nan 8.360 nan 0.000 0.466 414 D N 0.473 120.842 120.400 -0.052 0.000 2.371 414 D HA -0.006 4.634 4.640 -0.000 0.000 0.221 414 D C 0.420 176.706 176.300 -0.024 0.000 0.986 414 D CA 0.397 54.375 54.000 -0.036 0.000 0.899 414 D CB -0.009 40.768 40.800 -0.039 0.000 0.902 414 D HN 0.121 nan 8.370 nan 0.000 0.530 415 L N 0.982 122.192 121.223 -0.022 0.000 2.455 415 L HA 0.065 4.404 4.340 -0.000 0.000 0.272 415 L C 0.617 177.483 176.870 -0.006 0.000 1.174 415 L CA 0.513 55.349 54.840 -0.007 0.000 0.869 415 L CB 0.485 42.545 42.059 0.002 0.000 1.130 415 L HN -0.310 nan 8.230 nan 0.000 0.474 416 K N 4.176 124.573 120.400 -0.004 0.000 2.328 416 K HA 0.340 4.659 4.320 -0.000 0.000 0.246 416 K C -1.788 174.813 176.600 0.001 0.000 0.955 416 K CA -1.601 54.685 56.287 -0.002 0.000 0.817 416 K CB 1.839 34.336 32.500 -0.004 0.000 1.208 416 K HN 0.107 nan 8.250 nan 0.000 0.432 417 P HA -0.281 nan 4.420 nan 0.000 0.220 417 P C 0.180 177.486 177.300 0.009 0.000 1.155 417 P CA 1.482 64.588 63.100 0.010 0.000 0.880 417 P CB 0.209 31.917 31.700 0.013 0.000 0.790 418 D N -0.992 119.411 120.400 0.005 0.000 2.182 418 D HA -0.156 4.483 4.640 -0.000 0.000 0.201 418 D C 1.418 177.714 176.300 -0.007 0.000 0.986 418 D CA 1.024 55.025 54.000 0.003 0.000 0.847 418 D CB -0.426 40.375 40.800 0.001 0.000 0.942 418 D HN 0.273 nan 8.370 nan 0.000 0.467 419 D N 0.970 121.364 120.400 -0.010 0.000 2.078 419 D HA -0.120 4.519 4.640 -0.000 0.000 0.193 419 D C 2.287 178.566 176.300 -0.036 0.000 0.990 419 D CA 0.464 54.452 54.000 -0.020 0.000 0.827 419 D CB -0.100 40.693 40.800 -0.011 0.000 0.975 419 D HN 0.170 nan 8.370 nan 0.000 0.451 420 I N 1.329 121.885 120.570 -0.023 0.000 2.208 420 I HA -0.203 3.967 4.170 -0.000 0.000 0.245 420 I C 2.452 178.546 176.117 -0.039 0.000 1.097 420 I CA 0.971 62.251 61.300 -0.033 0.000 1.363 420 I CB -1.377 36.622 38.000 -0.002 0.000 1.051 420 I HN -0.125 nan 8.210 nan 0.000 0.413 421 S N 0.203 115.899 115.700 -0.007 0.000 2.368 421 S HA -0.170 4.300 4.470 -0.000 0.000 0.225 421 S C 2.137 176.718 174.600 -0.031 0.000 1.030 421 S CA 1.100 59.312 58.200 0.020 0.000 0.999 421 S CB -0.237 62.991 63.200 0.046 0.000 0.844 421 S HN 0.390 nan 8.310 nan 0.000 0.459 422 R N 0.882 121.349 120.500 -0.054 0.000 2.073 422 R HA -0.091 4.248 4.340 -0.000 0.000 0.234 422 R C 2.125 178.321 176.300 -0.174 0.000 1.134 422 R CA 1.527 57.573 56.100 -0.090 0.000 0.952 422 R CB -0.521 29.739 30.300 -0.066 0.000 0.850 422 R HN 0.264 nan 8.270 nan 0.000 0.433 423 V N 1.211 121.012 119.914 -0.188 0.000 2.255 423 V HA -0.275 3.845 4.120 -0.000 0.000 0.247 423 V C 2.556 178.397 176.094 -0.423 0.000 1.051 423 V CA 2.005 64.133 62.300 -0.287 0.000 1.018 423 V CB -0.932 30.729 31.823 -0.271 0.000 0.641 423 V HN 0.560 nan 8.190 nan 0.000 0.445 424 A N -0.293 122.307 122.820 -0.366 0.000 1.873 424 A HA -0.346 3.974 4.320 -0.000 0.000 0.218 424 A C 2.306 179.521 177.584 -0.615 0.000 1.193 424 A CA 2.408 54.190 52.037 -0.424 0.000 0.629 424 A CB -0.665 18.300 19.000 -0.057 0.000 0.826 424 A HN 0.669 nan 8.150 nan 0.000 0.447 425 E N -0.786 119.024 120.200 -0.650 0.000 2.077 425 E HA -0.252 4.098 4.350 -0.000 0.000 0.193 425 E C 2.053 178.265 176.600 -0.647 0.000 0.989 425 E CA 1.502 57.298 56.400 -1.008 0.000 0.800 425 E CB -0.242 29.171 29.700 -0.479 0.000 0.746 425 E HN 0.677 nan 8.360 nan 0.000 0.452 426 M N 0.574 119.902 119.600 -0.453 0.000 2.065 426 M HA -0.208 4.272 4.480 -0.000 0.000 0.259 426 M C 1.887 177.923 176.300 -0.439 0.000 1.069 426 M CA 1.651 56.732 55.300 -0.365 0.000 1.110 426 M CB -0.128 32.292 32.600 -0.300 0.000 1.328 426 M HN 0.162 nan 8.290 nan 0.000 0.405 427 I N 0.463 120.681 120.570 -0.587 0.000 2.099 427 I HA -0.265 3.904 4.170 -0.000 0.000 0.239 427 I C 2.210 177.911 176.117 -0.695 0.000 1.066 427 I CA 1.784 62.687 61.300 -0.662 0.000 1.324 427 I CB -1.854 35.563 38.000 -0.971 0.000 1.037 427 I HN 0.282 nan 8.210 nan 0.000 0.401 428 F N 1.164 120.727 119.950 -0.644 0.000 2.722 428 F HA -0.079 4.447 4.527 -0.001 0.000 0.298 428 F C 2.142 177.448 175.800 -0.823 0.000 1.175 428 F CA 0.766 58.252 58.000 -0.858 0.000 1.462 428 F CB -1.310 37.377 39.000 -0.523 0.000 1.111 428 F HN 0.057 nan 8.300 nan 0.000 0.592 429 T N -1.606 112.679 114.554 -0.448 0.000 3.044 429 T HA 0.301 4.650 4.350 -0.000 0.000 0.260 429 T C 1.546 176.122 174.700 -0.205 0.000 1.019 429 T CA 0.513 62.461 62.100 -0.254 0.000 0.921 429 T CB 0.117 68.878 68.868 -0.179 0.000 1.053 429 T HN 0.325 nan 8.240 nan 0.000 0.533 430 G N 2.770 111.403 108.800 -0.278 0.000 2.221 430 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.265 430 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.265 430 G C 0.288 175.132 174.900 -0.092 0.000 1.041 430 G CA -0.173 44.863 45.100 -0.107 0.000 0.807 430 G HN 0.468 nan 8.290 nan 0.000 0.502 431 N N -0.132 118.478 118.700 -0.149 0.000 2.453 431 N HA 0.263 5.003 4.740 -0.000 0.000 0.270 431 N C 0.275 175.710 175.510 -0.125 0.000 1.195 431 N CA 0.133 53.114 53.050 -0.115 0.000 0.902 431 N CB 0.896 39.310 38.487 -0.121 0.000 1.186 431 N HN 0.259 nan 8.380 nan 0.000 0.510 432 V N 1.150 120.985 119.914 -0.132 0.000 2.472 432 V HA 0.356 4.475 4.120 -0.000 0.000 0.290 432 V C 0.138 176.193 176.094 -0.065 0.000 1.037 432 V CA -0.809 61.411 62.300 -0.133 0.000 0.908 432 V CB 1.739 33.449 31.823 -0.189 0.000 0.985 432 V HN 0.149 nan 8.190 nan 0.000 0.454 433 N N 3.951 122.634 118.700 -0.029 0.000 2.626 433 N HA 0.393 5.133 4.740 -0.000 0.000 0.249 433 N C -0.967 174.566 175.510 0.039 0.000 1.021 433 N CA -0.399 52.657 53.050 0.010 0.000 0.886 433 N CB 1.360 39.856 38.487 0.015 0.000 1.149 433 N HN 0.618 nan 8.380 nan 0.000 0.517 434 N N 0.236 118.964 118.700 0.046 0.000 2.502 434 N HA 0.345 5.085 4.740 -0.000 0.000 0.280 434 N C 1.232 176.787 175.510 0.074 0.000 1.223 434 N CA -0.515 52.579 53.050 0.072 0.000 0.966 434 N CB 1.037 39.574 38.487 0.084 0.000 1.203 434 N HN 0.362 nan 8.380 nan 0.000 0.565 435 A N 0.607 123.473 122.820 0.078 0.000 1.915 435 A HA -0.165 4.155 4.320 -0.000 0.000 0.220 435 A C 1.822 179.452 177.584 0.076 0.000 1.198 435 A CA 2.423 54.502 52.037 0.070 0.000 0.647 435 A CB -1.339 17.704 19.000 0.071 0.000 0.825 435 A HN 0.724 nan 8.150 nan 0.000 0.456 436 G N -1.258 107.600 108.800 0.096 0.000 2.776 436 G HA2 0.035 3.994 3.960 -0.000 0.000 0.209 436 G HA3 0.035 3.994 3.960 -0.000 0.000 0.209 436 G C 0.586 175.548 174.900 0.103 0.000 1.145 436 G CA 0.810 45.974 45.100 0.107 0.000 0.791 436 G HN 0.937 nan 8.290 nan 0.000 0.530 437 N N -0.671 118.083 118.700 0.090 0.000 2.642 437 N HA -0.087 4.653 4.740 -0.000 0.000 0.269 437 N C 0.581 176.153 175.510 0.103 0.000 1.073 437 N CA 0.733 53.831 53.050 0.079 0.000 0.748 437 N CB -1.136 37.390 38.487 0.064 0.000 0.894 437 N HN 0.421 nan 8.380 nan 0.000 0.548 438 G N 1.358 110.236 108.800 0.130 0.000 2.537 438 G HA2 0.388 4.347 3.960 -0.000 0.000 0.273 438 G HA3 0.388 4.347 3.960 -0.000 0.000 0.273 438 G C 0.199 175.209 174.900 0.182 0.000 1.189 438 G CA -0.651 44.569 45.100 0.199 0.000 0.881 438 G HN 0.354 nan 8.290 nan 0.000 0.535 439 K N -0.331 120.213 120.400 0.240 0.000 2.143 439 K HA 0.223 4.543 4.320 -0.000 0.000 0.239 439 K C 1.133 177.876 176.600 0.238 0.000 1.048 439 K CA 0.164 56.568 56.287 0.195 0.000 0.867 439 K CB 0.637 33.227 32.500 0.151 0.000 1.088 439 K HN 0.499 nan 8.250 nan 0.000 0.510 440 G N 0.252 109.166 108.800 0.191 0.000 3.651 440 G HA2 0.033 3.993 3.960 -0.000 0.000 0.279 440 G HA3 0.033 3.993 3.960 -0.000 0.000 0.279 440 G C 0.414 175.490 174.900 0.293 0.000 1.024 440 G CA -0.203 45.014 45.100 0.195 0.000 0.813 440 G HN 0.372 nan 8.290 nan 0.000 0.518 441 R N 0.411 121.089 120.500 0.297 0.000 2.615 441 R HA 0.604 4.943 4.340 -0.000 0.000 0.270 441 R C 0.239 176.722 176.300 0.305 0.000 1.081 441 R CA -0.077 56.170 56.100 0.246 0.000 1.154 441 R CB 0.629 30.996 30.300 0.113 0.000 1.063 441 R HN 0.095 nan 8.270 nan 0.000 0.519 442 A N 1.579 124.481 122.820 0.136 0.000 2.264 442 A HA 0.417 4.737 4.320 -0.000 0.000 0.304 442 A C -0.731 176.747 177.584 -0.177 0.000 1.100 442 A CA -0.483 51.405 52.037 -0.248 0.000 0.839 442 A CB 1.311 19.998 19.000 -0.523 0.000 1.121 442 A HN 0.711 nan 8.150 nan 0.000 0.496 443 T N 1.087 115.504 114.554 -0.227 0.000 2.770 443 T HA 0.530 4.880 4.350 -0.000 0.000 0.283 443 T C -0.843 173.767 174.700 -0.149 0.000 0.988 443 T CA -0.203 61.807 62.100 -0.151 0.000 0.957 443 T CB 0.902 69.710 68.868 -0.099 0.000 0.930 443 T HN 0.446 nan 8.240 nan 0.000 0.443 444 V N 4.217 124.053 119.914 -0.130 0.000 2.447 444 V HA 0.535 4.655 4.120 -0.000 0.000 0.292 444 V C -0.453 175.559 176.094 -0.136 0.000 1.021 444 V CA -0.756 61.469 62.300 -0.126 0.000 0.850 444 V CB 1.661 33.409 31.823 -0.125 0.000 1.005 444 V HN 0.656 nan 8.190 nan 0.000 0.426 445 V N 7.721 127.555 119.914 -0.133 0.000 2.604 445 V HA 0.817 4.937 4.120 -0.000 0.000 0.305 445 V C -0.442 175.537 176.094 -0.191 0.000 1.043 445 V CA -0.404 61.814 62.300 -0.137 0.000 0.888 445 V CB 1.817 33.583 31.823 -0.095 0.000 0.995 445 V HN 0.921 nan 8.190 nan 0.000 0.429 446 M N 4.548 124.009 119.600 -0.231 0.000 2.520 446 M HA 0.618 5.098 4.480 -0.000 0.000 0.283 446 M C -1.569 174.629 176.300 -0.170 0.000 1.237 446 M CA -0.761 54.349 55.300 -0.318 0.000 0.885 446 M CB 2.218 34.300 32.600 -0.863 0.000 1.727 446 M HN 0.610 nan 8.290 nan 0.000 0.468 447 Q N 0.959 120.724 119.800 -0.059 0.000 2.333 447 Q HA 0.771 5.111 4.340 -0.000 0.000 0.267 447 Q C -0.491 175.395 176.000 -0.190 0.000 1.012 447 Q CA 0.244 56.034 55.803 -0.021 0.000 0.824 447 Q CB 2.167 30.990 28.738 0.141 0.000 1.290 447 Q HN 1.164 nan 8.270 nan 0.000 0.449 448 G N 2.729 111.253 108.800 -0.460 0.000 2.315 448 G HA2 -0.123 3.837 3.960 -0.000 0.000 0.296 448 G HA3 -0.123 3.837 3.960 -0.000 0.000 0.296 448 G C -1.687 172.791 174.900 -0.704 0.000 1.289 448 G CA -0.596 43.635 45.100 -1.449 0.000 0.996 448 G HN 0.739 nan 8.290 nan 0.000 0.487 449 D N -0.608 119.439 120.400 -0.589 0.000 2.351 449 D HA 0.516 5.156 4.640 -0.000 0.000 0.251 449 D C 1.542 177.881 176.300 0.065 0.000 1.137 449 D CA -0.288 53.670 54.000 -0.069 0.000 0.879 449 D CB 1.283 42.142 40.800 0.099 0.000 1.181 449 D HN 0.602 nan 8.370 nan 0.000 0.448 450 R N 3.291 123.837 120.500 0.076 0.000 2.094 450 R HA -0.083 4.257 4.340 -0.000 0.000 0.239 450 R C 2.114 178.519 176.300 0.174 0.000 1.137 450 R CA 2.276 58.461 56.100 0.142 0.000 0.943 450 R CB -1.123 29.215 30.300 0.063 0.000 0.850 450 R HN 0.631 nan 8.270 nan 0.000 0.433 451 G N -0.671 108.188 108.800 0.098 0.000 2.505 451 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.220 451 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.220 451 G C 1.521 176.462 174.900 0.067 0.000 1.145 451 G CA 1.217 46.362 45.100 0.074 0.000 0.761 451 G HN 0.441 nan 8.290 nan 0.000 0.571 452 S N 0.348 116.074 115.700 0.044 0.000 2.441 452 S HA -0.125 4.344 4.470 -0.000 0.000 0.242 452 S C 1.733 176.203 174.600 -0.217 0.000 1.018 452 S CA 1.170 59.320 58.200 -0.083 0.000 0.988 452 S CB -0.333 62.839 63.200 -0.048 0.000 0.778 452 S HN 0.406 nan 8.310 nan 0.000 0.498 453 F N 0.965 120.948 119.950 0.055 0.000 2.754 453 F HA 0.321 4.847 4.527 -0.001 0.000 0.297 453 F C 1.763 177.572 175.800 0.016 0.000 1.122 453 F CA 0.383 58.404 58.000 0.035 0.000 1.400 453 F CB -0.405 38.611 39.000 0.027 0.000 1.117 453 F HN 0.326 nan 8.300 nan 0.000 0.587 454 G N 0.240 109.127 108.800 0.146 0.000 2.642 454 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.231 454 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.231 454 G C -0.642 174.315 174.900 0.094 0.000 1.338 454 G CA -0.313 44.841 45.100 0.090 0.000 0.883 454 G HN 0.172 nan 8.290 nan 0.000 0.570 455 D N 0.736 121.178 120.400 0.069 0.000 2.470 455 D HA 0.333 4.973 4.640 -0.000 0.000 0.226 455 D C 1.979 178.320 176.300 0.068 0.000 1.196 455 D CA 0.378 54.414 54.000 0.061 0.000 0.979 455 D CB 0.554 41.383 40.800 0.049 0.000 1.059 455 D HN 0.322 nan 8.370 nan 0.000 0.515 456 V N 3.624 123.579 119.914 0.068 0.000 2.287 456 V HA -0.249 3.871 4.120 -0.000 0.000 0.248 456 V C 2.415 178.545 176.094 0.059 0.000 1.053 456 V CA 1.939 64.275 62.300 0.059 0.000 1.027 456 V CB -0.554 31.286 31.823 0.028 0.000 0.646 456 V HN 0.559 nan 8.190 nan 0.000 0.447 457 E N 0.425 120.657 120.200 0.054 0.000 2.077 457 E HA -0.279 4.070 4.350 -0.000 0.000 0.193 457 E C 2.064 178.714 176.600 0.084 0.000 0.989 457 E CA 1.693 58.133 56.400 0.067 0.000 0.800 457 E CB -0.168 29.565 29.700 0.055 0.000 0.746 457 E HN 0.626 nan 8.360 nan 0.000 0.452 458 N N -0.348 118.396 118.700 0.074 0.000 2.025 458 N HA -0.170 4.570 4.740 -0.000 0.000 0.194 458 N C 1.716 177.290 175.510 0.106 0.000 1.044 458 N CA 1.835 54.931 53.050 0.077 0.000 0.851 458 N CB -0.191 38.332 38.487 0.061 0.000 1.036 458 N HN 0.034 nan 8.380 nan 0.000 0.422 459 V N 0.871 120.853 119.914 0.113 0.000 2.392 459 V HA -0.215 3.905 4.120 -0.000 0.000 0.249 459 V C 2.267 178.489 176.094 0.213 0.000 1.059 459 V CA 1.325 63.722 62.300 0.162 0.000 1.051 459 V CB -0.569 31.317 31.823 0.106 0.000 0.658 459 V HN 0.335 nan 8.190 nan 0.000 0.455 460 L N -0.739 120.579 121.223 0.158 0.000 2.044 460 L HA -0.141 4.198 4.340 -0.000 0.000 0.205 460 L C 2.641 179.650 176.870 0.231 0.000 1.075 460 L CA 1.612 56.568 54.840 0.193 0.000 0.747 460 L CB -0.497 41.672 42.059 0.184 0.000 0.903 460 L HN 0.255 nan 8.230 nan 0.000 0.435 461 K N -0.013 120.493 120.400 0.178 0.000 2.057 461 K HA -0.152 4.168 4.320 -0.000 0.000 0.207 461 K C 2.217 178.901 176.600 0.140 0.000 1.049 461 K CA 1.249 57.626 56.287 0.151 0.000 0.931 461 K CB -0.277 32.287 32.500 0.107 0.000 0.714 461 K HN 0.270 nan 8.250 nan 0.000 0.440 462 A N 0.920 123.823 122.820 0.138 0.000 1.903 462 A HA -0.208 4.112 4.320 -0.000 0.000 0.219 462 A C 1.557 179.136 177.584 -0.010 0.000 1.191 462 A CA 1.589 53.657 52.037 0.052 0.000 0.638 462 A CB -0.874 18.164 19.000 0.063 0.000 0.823 462 A HN 0.348 nan 8.150 nan 0.000 0.451 463 Y N -0.279 120.024 120.300 0.005 0.000 2.477 463 Y HA 0.337 4.887 4.550 -0.001 0.000 0.303 463 Y C 1.804 177.798 175.900 0.158 0.000 1.202 463 Y CA 0.112 58.213 58.100 0.001 0.000 1.282 463 Y CB -0.552 37.902 38.460 -0.011 0.000 1.071 463 Y HN 0.492 nan 8.280 nan 0.000 0.510 464 G N 0.507 109.450 108.800 0.239 0.000 2.179 464 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.257 464 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.257 464 G C 0.030 175.080 174.900 0.250 0.000 1.010 464 G CA 0.098 45.330 45.100 0.222 0.000 0.736 464 G HN 0.314 nan 8.290 nan 0.000 0.513 465 L N -0.111 121.272 121.223 0.267 0.000 2.375 465 L HA 0.623 4.963 4.340 -0.000 0.000 0.271 465 L C 1.388 178.369 176.870 0.185 0.000 1.107 465 L CA 0.394 55.364 54.840 0.215 0.000 0.806 465 L CB 1.096 43.338 42.059 0.305 0.000 1.146 465 L HN 1.043 nan 8.230 nan 0.000 0.447 466 G N 2.402 111.198 108.800 -0.007 0.000 2.681 466 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.220 466 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.220 466 G C -1.083 173.871 174.900 0.089 0.000 1.353 466 G CA -0.236 44.959 45.100 0.158 0.000 0.872 466 G HN 0.859 nan 8.290 nan 0.000 0.557 467 N N -1.658 117.120 118.700 0.130 0.000 2.324 467 N HA 0.659 5.399 4.740 -0.000 0.000 0.285 467 N C 0.437 176.005 175.510 0.097 0.000 1.076 467 N CA 0.269 53.371 53.050 0.086 0.000 0.864 467 N CB 1.809 40.330 38.487 0.056 0.000 1.632 467 N HN 0.526 nan 8.380 nan 0.000 0.478 468 S N -0.102 115.644 115.700 0.077 0.000 2.506 468 S HA 0.164 4.634 4.470 -0.000 0.000 0.219 468 S C 0.388 175.021 174.600 0.055 0.000 1.031 468 S CA -0.032 58.210 58.200 0.070 0.000 0.911 468 S CB -0.047 63.192 63.200 0.065 0.000 0.812 468 S HN 0.747 nan 8.310 nan 0.000 0.497 469 S N 0.693 116.422 115.700 0.048 0.000 2.767 469 S HA 0.738 5.208 4.470 -0.000 0.000 0.300 469 S C -0.016 174.607 174.600 0.038 0.000 1.123 469 S CA -0.670 57.553 58.200 0.039 0.000 0.992 469 S CB 1.382 64.602 63.200 0.033 0.000 1.138 469 S HN 0.092 nan 8.310 nan 0.000 0.550 470 S N 0.000 115.720 115.700 0.033 0.000 2.498 470 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 470 S CA 0.000 58.219 58.200 0.031 0.000 1.107 470 S CB 0.000 63.218 63.200 0.031 0.000 0.593 470 S HN 0.000 nan 8.310 nan 0.000 0.517