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 1hr8_1_G 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 GGGGXXXXXX XXXGMYSRLY 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 0.000 177.660 177.584 0.127 0.000 1.274 14 A CA 0.000 52.209 52.037 0.286 0.000 0.836 14 A CB 0.000 19.052 19.000 0.087 0.000 0.831 15 R N -2.438 118.120 120.500 0.096 0.000 4.982 15 R HA 0.098 4.438 4.340 -0.000 0.000 0.042 15 R C 0.904 177.229 176.300 0.041 0.000 0.779 15 R CA 1.756 57.888 56.100 0.052 0.000 1.886 15 R CB -0.805 29.514 30.300 0.031 0.000 1.254 15 R HN 0.122 nan 8.270 nan 0.000 0.432 16 T N 0.802 115.378 114.554 0.038 0.000 2.969 16 T HA 0.107 4.457 4.350 -0.000 0.000 0.250 16 T C 0.220 174.944 174.700 0.039 0.000 1.021 16 T CA 0.760 62.878 62.100 0.029 0.000 1.003 16 T CB 0.256 69.135 68.868 0.017 0.000 1.040 16 T HN 0.499 nan 8.240 nan 0.000 0.492 17 D N 1.636 122.070 120.400 0.057 0.000 2.371 17 D HA 0.006 4.646 4.640 -0.000 0.000 0.221 17 D C 0.842 177.202 176.300 0.101 0.000 0.986 17 D CA 0.185 54.229 54.000 0.073 0.000 0.899 17 D CB -0.446 40.400 40.800 0.076 0.000 0.902 17 D HN 0.221 nan 8.370 nan 0.000 0.530 18 N N -1.030 117.727 118.700 0.095 0.000 2.754 18 N HA -0.238 4.502 4.740 -0.000 0.000 0.248 18 N C -1.043 174.533 175.510 0.109 0.000 1.093 18 N CA 0.102 53.196 53.050 0.072 0.000 0.699 18 N CB -1.833 36.684 38.487 0.049 0.000 1.016 18 N HN 0.370 nan 8.380 nan 0.000 0.552 19 F N 1.383 121.328 119.950 -0.008 0.000 2.467 19 F HA 0.468 4.995 4.527 -0.000 0.000 0.362 19 F C 0.359 176.126 175.800 -0.055 0.000 1.090 19 F CA -0.054 57.942 58.000 -0.007 0.000 1.202 19 F CB 0.525 39.527 39.000 0.003 0.000 1.113 19 F HN 0.059 nan 8.300 nan 0.000 0.541 20 K N 6.317 126.215 120.400 -0.836 0.000 2.422 20 K HA 0.687 5.007 4.320 -0.000 0.000 0.251 20 K C -1.946 174.039 176.600 -1.024 0.000 0.933 20 K CA -1.117 54.598 56.287 -0.953 0.000 0.798 20 K CB 2.576 34.511 32.500 -0.940 0.000 1.238 20 K HN 0.601 nan 8.250 nan 0.000 0.428 21 L N 1.098 121.863 121.223 -0.764 0.000 2.431 21 L HA 0.624 4.964 4.340 -0.000 0.000 0.266 21 L C -1.367 175.462 176.870 -0.069 0.000 0.978 21 L CA 0.149 54.809 54.840 -0.300 0.000 0.822 21 L CB 2.155 44.068 42.059 -0.244 0.000 1.310 21 L HN 0.868 nan 8.230 nan 0.000 0.409 22 S N 1.435 117.201 115.700 0.109 0.000 2.672 22 S HA 0.852 5.322 4.470 -0.000 0.000 0.271 22 S C -1.171 173.484 174.600 0.091 0.000 1.171 22 S CA -0.836 57.424 58.200 0.101 0.000 0.817 22 S CB 1.439 64.739 63.200 0.166 0.000 1.150 22 S HN 0.600 nan 8.310 nan 0.000 0.478 23 S N 0.294 116.032 115.700 0.063 0.000 2.566 23 S HA 0.665 5.135 4.470 -0.000 0.000 0.298 23 S C -0.505 174.118 174.600 0.039 0.000 1.083 23 S CA -0.870 57.361 58.200 0.050 0.000 0.978 23 S CB 0.936 64.157 63.200 0.036 0.000 1.073 23 S HN 0.622 nan 8.310 nan 0.000 0.491 24 L N 1.515 122.761 121.223 0.039 0.000 2.454 24 L HA 0.409 4.749 4.340 -0.000 0.000 0.256 24 L C 1.667 178.548 176.870 0.020 0.000 1.136 24 L CA -0.592 54.267 54.840 0.032 0.000 0.804 24 L CB 0.379 42.468 42.059 0.050 0.000 1.181 24 L HN 0.898 nan 8.230 nan 0.000 0.469 25 A N 1.161 123.991 122.820 0.017 0.000 2.019 25 A HA -0.180 4.140 4.320 -0.000 0.000 0.219 25 A C 1.531 179.113 177.584 -0.003 0.000 1.164 25 A CA 1.731 53.773 52.037 0.009 0.000 0.644 25 A CB -0.794 18.213 19.000 0.012 0.000 0.805 25 A HN 0.919 nan 8.150 nan 0.000 0.449 26 N N -1.304 117.391 118.700 -0.009 0.000 2.461 26 N HA 0.248 4.988 4.740 -0.000 0.000 0.188 26 N C 1.011 176.469 175.510 -0.086 0.000 1.134 26 N CA 1.202 54.220 53.050 -0.053 0.000 0.878 26 N CB -0.264 38.182 38.487 -0.068 0.000 0.972 26 N HN 0.729 nan 8.380 nan 0.000 0.456 27 G N -0.668 108.106 108.800 -0.045 0.000 2.194 27 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.236 27 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.236 27 G C -0.270 174.610 174.900 -0.033 0.000 0.987 27 G CA 0.085 45.157 45.100 -0.047 0.000 0.635 27 G HN 0.485 nan 8.290 nan 0.000 0.520 28 L N 1.882 123.094 121.223 -0.019 0.000 2.462 28 L HA 0.531 4.871 4.340 -0.000 0.000 0.272 28 L C 0.588 177.500 176.870 0.070 0.000 1.166 28 L CA 0.161 55.022 54.840 0.035 0.000 0.880 28 L CB 0.285 42.407 42.059 0.106 0.000 1.142 28 L HN 0.192 nan 8.230 nan 0.000 0.473 29 K N 4.216 124.667 120.400 0.085 0.000 2.172 29 K HA 0.501 4.821 4.320 -0.000 0.000 0.276 29 K C -1.158 175.533 176.600 0.152 0.000 1.013 29 K CA -0.706 55.643 56.287 0.104 0.000 0.913 29 K CB 1.574 34.130 32.500 0.094 0.000 1.055 29 K HN 0.443 nan 8.250 nan 0.000 0.461 30 V N 2.510 122.520 119.914 0.160 0.000 2.350 30 V HA 0.427 4.547 4.120 -0.000 0.000 0.285 30 V C -0.494 175.753 176.094 0.256 0.000 1.014 30 V CA -0.854 61.572 62.300 0.211 0.000 0.831 30 V CB 1.260 33.144 31.823 0.102 0.000 1.000 30 V HN 0.873 nan 8.190 nan 0.000 0.433 31 A N 3.924 126.931 122.820 0.311 0.000 2.318 31 A HA 0.926 5.246 4.320 -0.000 0.000 0.324 31 A C 0.124 177.945 177.584 0.395 0.000 1.170 31 A CA -0.435 51.794 52.037 0.319 0.000 0.810 31 A CB 1.328 20.543 19.000 0.357 0.000 1.198 31 A HN 0.876 nan 8.150 nan 0.000 0.484 32 T N -0.597 114.156 114.554 0.332 0.000 2.907 32 T HA 0.859 5.209 4.350 -0.000 0.000 0.292 32 T C -0.243 174.626 174.700 0.282 0.000 1.043 32 T CA -0.109 62.189 62.100 0.331 0.000 1.003 32 T CB 1.526 70.578 68.868 0.307 0.000 1.084 32 T HN 1.725 nan 8.240 nan 0.000 0.483 33 S N 1.770 117.624 115.700 0.256 0.000 2.625 33 S HA 0.757 5.227 4.470 -0.000 0.000 0.271 33 S C -0.590 174.094 174.600 0.140 0.000 1.161 33 S CA -0.760 57.575 58.200 0.225 0.000 0.820 33 S CB 1.472 64.825 63.200 0.254 0.000 1.137 33 S HN 1.276 nan 8.310 nan 0.000 0.470 34 N N -0.561 118.201 118.700 0.103 0.000 6.841 34 N HA -0.156 4.584 4.740 -0.000 0.000 0.420 34 N C -0.547 174.989 175.510 0.043 0.000 0.944 34 N CA 1.493 54.577 53.050 0.057 0.000 1.444 34 N CB -1.233 37.278 38.487 0.040 0.000 0.807 34 N HN 1.447 nan 8.380 nan 0.000 0.332 35 T N -2.213 112.349 114.554 0.013 0.000 2.888 35 T HA 0.749 5.099 4.350 -0.000 0.000 0.288 35 T C -2.835 171.853 174.700 -0.021 0.000 1.063 35 T CA -1.290 60.811 62.100 0.002 0.000 1.010 35 T CB 1.666 70.530 68.868 -0.007 0.000 1.214 35 T HN 0.362 nan 8.240 nan 0.000 0.533 36 P HA 0.386 nan 4.420 nan 0.000 0.263 36 P C 0.105 177.345 177.300 -0.101 0.000 1.175 36 P CA 0.420 63.495 63.100 -0.042 0.000 0.761 36 P CB 0.183 31.867 31.700 -0.027 0.000 0.794 37 G N 0.796 109.515 108.800 -0.135 0.000 3.058 37 G HA2 0.164 4.124 3.960 -0.000 0.000 0.282 37 G HA3 0.164 4.124 3.960 -0.000 0.000 0.282 37 G C 0.299 175.055 174.900 -0.240 0.000 1.248 37 G CA -0.267 44.678 45.100 -0.258 0.000 0.822 37 G HN 0.496 nan 8.290 nan 0.000 0.579 38 H N -0.735 118.282 119.070 -0.088 0.000 2.524 38 H HA 0.136 4.692 4.556 -0.000 0.000 0.282 38 H C 0.379 175.871 175.328 0.272 0.000 1.016 38 H CA 1.575 57.684 56.048 0.101 0.000 1.270 38 H CB -0.091 29.777 29.762 0.177 0.000 1.394 38 H HN 0.366 nan 8.280 nan 0.000 0.568 39 F N -2.645 117.397 119.950 0.155 0.000 2.900 39 F HA 0.556 5.083 4.527 -0.000 0.000 0.321 39 F C -1.157 174.680 175.800 0.062 0.000 1.160 39 F CA -1.322 56.733 58.000 0.093 0.000 0.890 39 F CB 0.899 39.873 39.000 -0.043 0.000 1.334 39 F HN -0.350 nan 8.300 nan 0.000 0.459 40 S N 0.044 115.946 115.700 0.337 0.000 2.677 40 S HA 0.980 5.450 4.470 -0.000 0.000 0.304 40 S C -0.973 173.804 174.600 0.295 0.000 1.108 40 S CA -0.388 57.947 58.200 0.225 0.000 0.944 40 S CB 1.736 65.060 63.200 0.208 0.000 1.127 40 S HN 1.146 nan 8.310 nan 0.000 0.511 41 A N 1.235 124.184 122.820 0.216 0.000 2.449 41 A HA 0.908 5.228 4.320 -0.000 0.000 0.302 41 A C -1.124 176.542 177.584 0.137 0.000 1.048 41 A CA -0.818 51.329 52.037 0.183 0.000 0.708 41 A CB 0.811 19.916 19.000 0.174 0.000 1.274 41 A HN 1.038 nan 8.150 nan 0.000 0.410 42 L N -0.798 120.461 121.223 0.060 0.000 2.622 42 L HA 1.052 5.391 4.340 -0.000 0.000 0.258 42 L C -0.301 176.515 176.870 -0.089 0.000 0.996 42 L CA -0.505 54.250 54.840 -0.142 0.000 0.858 42 L CB 1.877 43.803 42.059 -0.222 0.000 1.449 42 L HN 1.417 nan 8.230 nan 0.000 0.411 43 G N 0.946 109.650 108.800 -0.161 0.000 2.601 43 G HA2 0.563 4.523 3.960 -0.000 0.000 0.291 43 G HA3 0.563 4.523 3.960 -0.000 0.000 0.291 43 G C -2.107 172.686 174.900 -0.178 0.000 1.456 43 G CA -0.897 44.121 45.100 -0.136 0.000 0.804 43 G HN 0.641 nan 8.290 nan 0.000 0.499 44 L N 0.449 121.488 121.223 -0.307 0.000 2.322 44 L HA 0.560 4.900 4.340 -0.000 0.000 0.281 44 L C -1.175 175.460 176.870 -0.391 0.000 1.014 44 L CA -0.921 53.818 54.840 -0.167 0.000 0.815 44 L CB 1.769 43.746 42.059 -0.137 0.000 1.247 44 L HN 0.514 nan 8.230 nan 0.000 0.421 45 Y N 3.522 123.863 120.300 0.068 0.000 2.350 45 Y HA 0.555 5.105 4.550 -0.000 0.000 0.338 45 Y C -0.004 175.915 175.900 0.032 0.000 0.961 45 Y CA -0.588 57.548 58.100 0.059 0.000 1.100 45 Y CB 1.633 40.116 38.460 0.038 0.000 1.179 45 Y HN 0.332 nan 8.280 nan 0.000 0.454 46 I N 2.831 123.458 120.570 0.094 0.000 2.441 46 I HA 0.189 4.359 4.170 -0.000 0.000 0.295 46 I C -0.314 175.809 176.117 0.010 0.000 0.994 46 I CA -0.866 60.433 61.300 -0.001 0.000 1.144 46 I CB 1.579 39.475 38.000 -0.174 0.000 1.314 46 I HN 0.550 nan 8.210 nan 0.000 0.445 47 D N 6.180 126.567 120.400 -0.020 0.000 2.498 47 D HA 0.445 5.085 4.640 -0.000 0.000 0.229 47 D C -0.391 175.780 176.300 -0.215 0.000 1.188 47 D CA 0.358 54.332 54.000 -0.043 0.000 1.028 47 D CB 0.236 40.997 40.800 -0.064 0.000 1.087 47 D HN 0.654 nan 8.370 nan 0.000 0.510 48 A N 0.966 123.738 122.820 -0.080 0.000 2.533 48 A HA 0.962 5.281 4.320 -0.000 0.000 0.293 48 A C -0.001 177.707 177.584 0.207 0.000 1.228 48 A CA -0.134 51.798 52.037 -0.174 0.000 0.689 48 A CB 1.702 20.618 19.000 -0.141 0.000 1.303 48 A HN 0.540 nan 8.150 nan 0.000 0.444 49 G N -1.746 107.201 108.800 0.245 0.000 2.352 49 G HA2 0.515 4.475 3.960 -0.000 0.000 0.302 49 G HA3 0.515 4.475 3.960 -0.000 0.000 0.302 49 G C 0.547 175.478 174.900 0.052 0.000 1.370 49 G CA 0.681 45.855 45.100 0.123 0.000 0.918 49 G HN 1.962 nan 8.290 nan 0.000 0.610 50 S N -0.409 115.260 115.700 -0.052 0.000 2.419 50 S HA -0.201 4.268 4.470 -0.000 0.000 0.235 50 S C 2.072 176.560 174.600 -0.187 0.000 1.019 50 S CA 1.739 59.891 58.200 -0.079 0.000 0.982 50 S CB -0.338 62.789 63.200 -0.122 0.000 0.789 50 S HN 1.147 nan 8.310 nan 0.000 0.490 51 R N -0.019 120.245 120.500 -0.393 0.000 2.328 51 R HA 0.089 4.429 4.340 -0.000 0.000 0.207 51 R C 0.709 176.644 176.300 -0.608 0.000 1.056 51 R CA 1.021 56.779 56.100 -0.570 0.000 1.016 51 R CB -0.615 29.208 30.300 -0.796 0.000 0.872 51 R HN 0.499 nan 8.270 nan 0.000 0.471 52 F N 1.012 120.873 119.950 -0.148 0.000 2.695 52 F HA 0.312 4.839 4.527 -0.000 0.000 0.303 52 F C 1.450 177.244 175.800 -0.010 0.000 1.091 52 F CA -0.350 57.572 58.000 -0.131 0.000 1.300 52 F CB 0.335 39.074 39.000 -0.435 0.000 1.071 52 F HN 0.010 nan 8.300 nan 0.000 0.578 53 E N 0.637 120.926 120.200 0.148 0.000 2.268 53 E HA 0.114 4.464 4.350 -0.000 0.000 0.195 53 E C 1.794 178.477 176.600 0.138 0.000 0.995 53 E CA 0.518 57.036 56.400 0.198 0.000 0.836 53 E CB -0.249 29.546 29.700 0.158 0.000 0.763 53 E HN 0.370 nan 8.360 nan 0.000 0.491 54 G N 1.186 110.034 108.800 0.081 0.000 2.601 54 G HA2 -0.380 3.580 3.960 -0.000 0.000 0.261 54 G HA3 -0.380 3.580 3.960 -0.000 0.000 0.261 54 G C 0.345 175.268 174.900 0.039 0.000 1.289 54 G CA 0.384 45.520 45.100 0.060 0.000 0.920 54 G HN 0.271 nan 8.290 nan 0.000 0.571 55 R N -0.175 120.344 120.500 0.032 0.000 2.254 55 R HA 0.176 4.516 4.340 -0.000 0.000 0.195 55 R C 2.374 178.671 176.300 -0.005 0.000 0.957 55 R CA 0.789 56.896 56.100 0.011 0.000 1.024 55 R CB -0.118 30.189 30.300 0.010 0.000 0.952 55 R HN 0.568 nan 8.270 nan 0.000 0.484 56 N N 0.196 118.907 118.700 0.018 0.000 2.354 56 N HA 0.009 4.749 4.740 -0.000 0.000 0.179 56 N C 0.578 176.031 175.510 -0.094 0.000 1.021 56 N CA 0.590 53.630 53.050 -0.016 0.000 0.887 56 N CB 0.346 38.882 38.487 0.082 0.000 0.974 56 N HN 0.084 nan 8.380 nan 0.000 0.437 57 L N 0.767 122.006 121.223 0.027 0.000 3.110 57 L HA 0.244 4.584 4.340 -0.000 0.000 0.266 57 L C -0.242 176.675 176.870 0.078 0.000 1.257 57 L CA -0.449 54.443 54.840 0.086 0.000 1.038 57 L CB 0.481 42.725 42.059 0.309 0.000 1.395 57 L HN -0.085 nan 8.230 nan 0.000 0.566 58 K N 1.454 121.856 120.400 0.004 0.000 2.472 58 K HA 0.236 4.556 4.320 -0.000 0.000 0.280 58 K C 1.189 177.789 176.600 -0.000 0.000 1.028 58 K CA 1.161 57.452 56.287 0.006 0.000 1.045 58 K CB 0.280 32.770 32.500 -0.017 0.000 0.902 58 K HN 0.318 nan 8.250 nan 0.000 0.478 59 G N 2.699 111.507 108.800 0.014 0.000 2.225 59 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.254 59 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.254 59 G C 1.361 176.259 174.900 -0.003 0.000 0.988 59 G CA 0.226 45.337 45.100 0.018 0.000 0.625 59 G HN 0.644 nan 8.290 nan 0.000 0.527 60 C N 0.918 120.201 119.300 -0.029 0.000 2.440 60 C HA 0.074 4.534 4.460 -0.000 0.000 0.278 60 C C 3.043 177.813 174.990 -0.368 0.000 1.295 60 C CA 2.071 60.993 59.018 -0.160 0.000 1.738 60 C CB -1.261 26.418 27.740 -0.102 0.000 1.987 60 C HN 0.668 nan 8.230 nan 0.000 0.492 61 T N -0.921 113.446 114.554 -0.313 0.000 2.708 61 T HA -0.231 4.119 4.350 -0.000 0.000 0.266 61 T C 1.730 176.366 174.700 -0.108 0.000 1.037 61 T CA 1.666 63.603 62.100 -0.271 0.000 1.146 61 T CB -0.574 68.275 68.868 -0.032 0.000 0.865 61 T HN 0.703 nan 8.240 nan 0.000 0.435 62 H N 0.692 119.682 119.070 -0.133 0.000 2.321 62 H HA -0.053 4.503 4.556 -0.000 0.000 0.300 62 H C 2.158 177.429 175.328 -0.094 0.000 1.087 62 H CA 1.219 57.207 56.048 -0.101 0.000 1.319 62 H CB -0.056 29.658 29.762 -0.080 0.000 1.379 62 H HN 0.151 nan 8.280 nan 0.000 0.501 63 I N 1.327 121.788 120.570 -0.181 0.000 2.226 63 I HA -0.268 3.902 4.170 -0.000 0.000 0.245 63 I C 2.786 178.792 176.117 -0.186 0.000 1.100 63 I CA 0.887 62.058 61.300 -0.214 0.000 1.374 63 I CB -1.070 36.865 38.000 -0.109 0.000 1.057 63 I HN 0.338 nan 8.210 nan 0.000 0.413 64 L N 0.775 121.894 121.223 -0.174 0.000 2.083 64 L HA -0.236 4.104 4.340 -0.000 0.000 0.209 64 L C 2.178 178.993 176.870 -0.093 0.000 1.083 64 L CA 1.821 56.584 54.840 -0.128 0.000 0.752 64 L CB -0.678 41.303 42.059 -0.131 0.000 0.899 64 L HN 0.342 nan 8.230 nan 0.000 0.433 65 D N -0.549 119.768 120.400 -0.138 0.000 2.277 65 D HA -0.198 4.442 4.640 -0.000 0.000 0.208 65 D C 2.141 178.357 176.300 -0.140 0.000 0.962 65 D CA 0.746 54.649 54.000 -0.163 0.000 0.865 65 D CB 0.012 40.710 40.800 -0.170 0.000 0.939 65 D HN -0.065 nan 8.370 nan 0.000 0.510 66 R N -0.824 119.562 120.500 -0.190 0.000 2.276 66 R HA 0.242 4.582 4.340 -0.000 0.000 0.203 66 R C 1.084 177.342 176.300 -0.070 0.000 1.017 66 R CA 0.270 56.273 56.100 -0.160 0.000 1.010 66 R CB -0.198 29.929 30.300 -0.288 0.000 0.900 66 R HN 0.190 nan 8.270 nan 0.000 0.469 67 L N -0.279 120.905 121.223 -0.065 0.000 2.607 67 L HA 0.419 4.759 4.340 -0.000 0.000 0.228 67 L C 0.118 176.994 176.870 0.010 0.000 1.123 67 L CA -0.146 54.676 54.840 -0.030 0.000 0.890 67 L CB -0.626 41.398 42.059 -0.058 0.000 1.103 67 L HN 0.005 nan 8.230 nan 0.000 0.468 68 A N -1.104 121.738 122.820 0.037 0.000 2.531 68 A HA 0.238 4.558 4.320 -0.000 0.000 0.236 68 A C 0.309 177.983 177.584 0.151 0.000 1.062 68 A CA -0.047 52.020 52.037 0.050 0.000 0.760 68 A CB -0.641 18.410 19.000 0.085 0.000 0.995 68 A HN 0.350 nan 8.150 nan 0.000 0.501 69 F N -0.747 119.269 119.950 0.109 0.000 3.074 69 F HA -0.205 4.322 4.527 -0.000 0.000 0.289 69 F C 1.014 176.819 175.800 0.009 0.000 0.863 69 F CA 1.377 59.393 58.000 0.028 0.000 1.121 69 F CB -1.689 37.327 39.000 0.028 0.000 1.169 69 F HN 0.598 nan 8.300 nan 0.000 0.570 70 K N 0.110 120.568 120.400 0.097 0.000 2.651 70 K HA 0.633 4.953 4.320 -0.000 0.000 0.283 70 K C 0.811 177.428 176.600 0.027 0.000 1.018 70 K CA 0.072 56.396 56.287 0.063 0.000 1.127 70 K CB 0.044 32.563 32.500 0.033 0.000 1.501 70 K HN 0.105 nan 8.250 nan 0.000 0.608 71 S N 0.318 116.023 115.700 0.008 0.000 2.568 71 S HA 0.184 4.654 4.470 -0.000 0.000 0.282 71 S C 0.383 174.966 174.600 -0.028 0.000 1.338 71 S CA -0.350 57.846 58.200 -0.008 0.000 1.045 71 S CB 0.075 63.267 63.200 -0.012 0.000 0.873 71 S HN 0.584 nan 8.310 nan 0.000 0.516 72 T N -1.104 113.428 114.554 -0.037 0.000 2.888 72 T HA 0.502 4.852 4.350 -0.000 0.000 0.288 72 T C 0.610 175.240 174.700 -0.118 0.000 1.063 72 T CA -0.916 61.151 62.100 -0.056 0.000 1.010 72 T CB 1.148 69.998 68.868 -0.029 0.000 1.214 72 T HN 0.445 nan 8.240 nan 0.000 0.533 73 E N 0.362 120.431 120.200 -0.219 0.000 2.160 73 E HA -0.141 4.209 4.350 -0.000 0.000 0.195 73 E C 1.242 177.565 176.600 -0.463 0.000 0.991 73 E CA 1.731 57.885 56.400 -0.411 0.000 0.810 73 E CB -0.275 29.020 29.700 -0.675 0.000 0.742 73 E HN 0.836 nan 8.360 nan 0.000 0.466 74 H N -1.851 117.142 119.070 -0.129 0.000 2.755 74 H HA 0.276 4.832 4.556 -0.000 0.000 0.273 74 H C -0.419 174.866 175.328 -0.073 0.000 1.055 74 H CA -0.315 55.657 56.048 -0.127 0.000 1.191 74 H CB 1.154 30.805 29.762 -0.186 0.000 1.536 74 H HN -0.195 nan 8.280 nan 0.000 0.529 75 V N 1.785 121.708 119.914 0.015 0.000 2.567 75 V HA 0.088 4.208 4.120 -0.000 0.000 0.298 75 V C -0.264 175.829 176.094 -0.003 0.000 1.047 75 V CA -1.085 61.223 62.300 0.012 0.000 0.880 75 V CB 2.150 33.982 31.823 0.014 0.000 1.009 75 V HN 0.188 nan 8.190 nan 0.000 0.429 76 E N 2.416 122.615 120.200 -0.001 0.000 2.437 76 E HA 0.080 4.430 4.350 -0.000 0.000 0.263 76 E C 1.436 178.037 176.600 0.003 0.000 1.030 76 E CA 0.819 57.217 56.400 -0.002 0.000 0.934 76 E CB 1.299 30.998 29.700 -0.000 0.000 0.943 76 E HN 0.826 nan 8.360 nan 0.000 0.444 77 G N 3.411 112.213 108.800 0.005 0.000 2.476 77 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.218 77 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.218 77 G C 1.515 176.425 174.900 0.017 0.000 1.164 77 G CA 1.185 46.293 45.100 0.014 0.000 0.768 77 G HN 0.529 nan 8.290 nan 0.000 0.560 78 R N 0.559 121.066 120.500 0.012 0.000 2.083 78 R HA -0.004 4.336 4.340 -0.000 0.000 0.237 78 R C 2.900 179.205 176.300 0.008 0.000 1.137 78 R CA 1.604 57.711 56.100 0.012 0.000 0.951 78 R CB -0.460 29.845 30.300 0.009 0.000 0.851 78 R HN 0.296 nan 8.270 nan 0.000 0.434 79 A N 0.699 123.522 122.820 0.004 0.000 1.972 79 A HA -0.216 4.104 4.320 -0.000 0.000 0.219 79 A C 2.072 179.652 177.584 -0.006 0.000 1.169 79 A CA 1.622 53.658 52.037 -0.001 0.000 0.635 79 A CB -0.495 18.505 19.000 -0.000 0.000 0.810 79 A HN 0.481 nan 8.150 nan 0.000 0.446 80 M N 0.341 119.940 119.600 -0.001 0.000 2.067 80 M HA -0.037 4.443 4.480 -0.000 0.000 0.260 80 M C 2.183 178.461 176.300 -0.035 0.000 1.069 80 M CA 1.991 57.286 55.300 -0.007 0.000 1.117 80 M CB -0.708 31.909 32.600 0.027 0.000 1.334 80 M HN 0.348 nan 8.290 nan 0.000 0.407 81 A N -0.438 122.378 122.820 -0.007 0.000 1.877 81 A HA -0.204 4.116 4.320 -0.000 0.000 0.216 81 A C 2.068 179.646 177.584 -0.010 0.000 1.186 81 A CA 2.112 54.147 52.037 -0.002 0.000 0.620 81 A CB -1.007 18.013 19.000 0.033 0.000 0.822 81 A HN 0.694 nan 8.150 nan 0.000 0.443 82 E N -0.994 119.203 120.200 -0.004 0.000 2.110 82 E HA -0.118 4.232 4.350 -0.000 0.000 0.193 82 E C 2.050 178.643 176.600 -0.013 0.000 0.988 82 E CA 1.545 57.943 56.400 -0.002 0.000 0.804 82 E CB -0.247 29.454 29.700 0.001 0.000 0.745 82 E HN 0.602 nan 8.360 nan 0.000 0.458 83 T N 1.281 115.818 114.554 -0.029 0.000 2.821 83 T HA -0.086 4.264 4.350 -0.000 0.000 0.267 83 T C 1.888 176.549 174.700 -0.065 0.000 1.046 83 T CA 0.691 62.769 62.100 -0.037 0.000 1.139 83 T CB -0.098 68.745 68.868 -0.042 0.000 0.871 83 T HN 0.084 nan 8.240 nan 0.000 0.454 84 L N 0.644 121.791 121.223 -0.126 0.000 2.141 84 L HA -0.076 4.264 4.340 -0.000 0.000 0.209 84 L C 2.695 179.545 176.870 -0.035 0.000 1.094 84 L CA 1.265 55.977 54.840 -0.213 0.000 0.763 84 L CB -0.507 41.225 42.059 -0.546 0.000 0.908 84 L HN 0.343 nan 8.230 nan 0.000 0.437 85 E N 0.274 120.479 120.200 0.009 0.000 2.031 85 E HA -0.217 4.133 4.350 -0.000 0.000 0.193 85 E C 2.279 178.902 176.600 0.037 0.000 0.994 85 E CA 1.060 57.487 56.400 0.044 0.000 0.800 85 E CB -0.206 29.514 29.700 0.033 0.000 0.752 85 E HN 0.454 nan 8.360 nan 0.000 0.447 86 L N 0.816 122.053 121.223 0.022 0.000 2.261 86 L HA -0.157 4.183 4.340 -0.000 0.000 0.216 86 L C 2.052 178.955 176.870 0.055 0.000 1.114 86 L CA 0.619 55.478 54.840 0.031 0.000 0.777 86 L CB -0.219 41.850 42.059 0.017 0.000 0.910 86 L HN 0.164 nan 8.230 nan 0.000 0.440 87 L N -0.786 120.466 121.223 0.048 0.000 2.612 87 L HA 0.161 4.501 4.340 -0.000 0.000 0.230 87 L C 1.450 178.382 176.870 0.103 0.000 1.140 87 L CA 0.564 55.451 54.840 0.079 0.000 0.896 87 L CB -0.095 41.980 42.059 0.026 0.000 1.065 87 L HN 0.447 nan 8.230 nan 0.000 0.447 88 G N -0.919 107.938 108.800 0.095 0.000 2.201 88 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.212 88 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.212 88 G C 0.949 175.873 174.900 0.039 0.000 0.994 88 G CA -0.170 44.974 45.100 0.074 0.000 0.644 88 G HN 0.489 nan 8.290 nan 0.000 0.508 89 G N -0.206 108.650 108.800 0.094 0.000 2.212 89 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.267 89 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.267 89 G C 0.232 175.143 174.900 0.018 0.000 1.002 89 G CA 1.165 46.359 45.100 0.157 0.000 0.729 89 G HN 1.562 nan 8.290 nan 0.000 0.517 90 N N 0.276 118.982 118.700 0.009 0.000 3.229 90 N HA 0.510 5.250 4.740 -0.000 0.000 0.275 90 N C -0.334 175.148 175.510 -0.046 0.000 1.225 90 N CA -0.619 52.369 53.050 -0.103 0.000 1.119 90 N CB -0.215 38.191 38.487 -0.136 0.000 1.392 90 N HN 0.628 nan 8.380 nan 0.000 0.520 91 Y N -0.707 119.494 120.300 -0.164 0.000 2.581 91 Y HA 0.660 5.210 4.550 -0.000 0.000 0.345 91 Y C -1.029 174.780 175.900 -0.151 0.000 1.036 91 Y CA -1.216 56.773 58.100 -0.185 0.000 1.042 91 Y CB 1.002 39.240 38.460 -0.370 0.000 1.289 91 Y HN 0.266 nan 8.280 nan 0.000 0.471 92 Q N 1.274 121.087 119.800 0.023 0.000 2.578 92 Q HA 0.604 4.944 4.340 -0.000 0.000 0.284 92 Q C -2.157 173.941 176.000 0.164 0.000 0.960 92 Q CA -0.912 54.900 55.803 0.014 0.000 0.809 92 Q CB 1.942 30.619 28.738 -0.102 0.000 1.462 92 Q HN 1.069 nan 8.270 nan 0.000 0.392 93 C N 1.905 121.260 119.300 0.093 0.000 2.408 93 C HA 0.972 5.432 4.460 -0.000 0.000 0.321 93 C C -0.594 174.301 174.990 -0.158 0.000 1.245 93 C CA 0.695 59.624 59.018 -0.148 0.000 1.523 93 C CB 0.887 28.446 27.740 -0.301 0.000 2.178 93 C HN 0.908 nan 8.230 nan 0.000 0.488 94 T N 2.221 116.661 114.554 -0.190 0.000 2.843 94 T HA 0.885 5.235 4.350 -0.000 0.000 0.302 94 T C -0.668 173.963 174.700 -0.115 0.000 1.232 94 T CA -0.362 61.672 62.100 -0.111 0.000 1.009 94 T CB 1.520 70.354 68.868 -0.057 0.000 1.254 94 T HN 1.303 nan 8.240 nan 0.000 0.504 95 S N -0.091 115.573 115.700 -0.059 0.000 2.579 95 S HA 0.883 5.353 4.470 -0.000 0.000 0.272 95 S C -0.381 174.206 174.600 -0.023 0.000 1.141 95 S CA -0.535 57.643 58.200 -0.037 0.000 0.843 95 S CB 1.794 64.975 63.200 -0.033 0.000 1.122 95 S HN 1.149 nan 8.310 nan 0.000 0.468 96 S N -0.410 115.281 115.700 -0.016 0.000 3.331 96 S HA 0.499 4.969 4.470 -0.000 0.000 0.316 96 S C 0.685 175.242 174.600 -0.072 0.000 1.104 96 S CA -0.746 57.432 58.200 -0.038 0.000 0.977 96 S CB 0.627 63.829 63.200 0.004 0.000 1.370 96 S HN 0.732 nan 8.310 nan 0.000 0.731 97 R N 0.482 120.915 120.500 -0.112 0.000 2.093 97 R HA 0.203 4.543 4.340 -0.000 0.000 0.224 97 R C 0.988 177.158 176.300 -0.217 0.000 1.101 97 R CA 1.109 57.072 56.100 -0.228 0.000 0.979 97 R CB -0.093 29.977 30.300 -0.385 0.000 0.877 97 R HN 0.575 nan 8.270 nan 0.000 0.441 98 E N 0.313 120.466 120.200 -0.078 0.000 2.583 98 E HA 0.073 4.423 4.350 -0.000 0.000 0.213 98 E C -0.536 176.131 176.600 0.111 0.000 0.989 98 E CA -0.193 56.210 56.400 0.005 0.000 0.991 98 E CB 0.550 30.293 29.700 0.073 0.000 1.040 98 E HN 0.334 nan 8.360 nan 0.000 0.481 99 N N 0.640 119.390 118.700 0.083 0.000 2.494 99 N HA 0.335 5.075 4.740 -0.000 0.000 0.270 99 N C -1.540 174.002 175.510 0.053 0.000 1.285 99 N CA -0.760 52.346 53.050 0.093 0.000 0.812 99 N CB 2.264 40.816 38.487 0.108 0.000 1.557 99 N HN -0.089 nan 8.380 nan 0.000 0.487 100 L N 0.869 122.115 121.223 0.039 0.000 2.541 100 L HA 0.567 4.907 4.340 -0.000 0.000 0.266 100 L C -1.291 175.538 176.870 -0.068 0.000 0.966 100 L CA -0.356 54.465 54.840 -0.030 0.000 0.871 100 L CB 1.237 43.297 42.059 0.002 0.000 1.232 100 L HN 0.797 nan 8.230 nan 0.000 0.408 101 M N 3.036 122.528 119.600 -0.181 0.000 2.501 101 M HA 0.583 5.062 4.480 -0.000 0.000 0.293 101 M C -1.870 174.225 176.300 -0.342 0.000 1.192 101 M CA -0.696 54.453 55.300 -0.252 0.000 0.886 101 M CB 2.418 34.871 32.600 -0.246 0.000 1.710 101 M HN 0.413 nan 8.290 nan 0.000 0.457 102 Y N 1.135 121.262 120.300 -0.288 0.000 2.328 102 Y HA 0.565 5.115 4.550 -0.000 0.000 0.333 102 Y C -0.462 175.355 175.900 -0.138 0.000 0.958 102 Y CA -0.410 57.636 58.100 -0.090 0.000 1.167 102 Y CB 1.712 40.125 38.460 -0.078 0.000 1.151 102 Y HN 0.668 nan 8.280 nan 0.000 0.470 103 Q N 1.981 121.842 119.800 0.103 0.000 2.484 103 Q HA 0.976 5.316 4.340 -0.000 0.000 0.285 103 Q C -1.363 174.705 176.000 0.114 0.000 1.097 103 Q CA -1.561 54.278 55.803 0.060 0.000 0.802 103 Q CB 3.256 32.019 28.738 0.041 0.000 1.444 103 Q HN 0.706 nan 8.270 nan 0.000 0.429 104 A N 0.705 123.579 122.820 0.090 0.000 2.599 104 A HA 0.670 4.990 4.320 -0.000 0.000 0.294 104 A C -1.400 176.226 177.584 0.070 0.000 1.055 104 A CA -0.663 51.421 52.037 0.079 0.000 0.683 104 A CB 1.562 20.620 19.000 0.098 0.000 1.278 104 A HN 0.684 nan 8.150 nan 0.000 0.412 105 S N 0.167 115.885 115.700 0.029 0.000 2.482 105 S HA 0.866 5.336 4.470 -0.000 0.000 0.303 105 S C -0.153 174.402 174.600 -0.077 0.000 1.091 105 S CA 0.003 58.230 58.200 0.045 0.000 1.057 105 S CB 1.016 64.239 63.200 0.039 0.000 1.031 105 S HN 2.232 nan 8.310 nan 0.000 0.485 106 V N -0.629 119.271 119.914 -0.023 0.000 3.182 106 V HA 0.763 4.882 4.120 -0.000 0.000 0.308 106 V C -0.923 175.119 176.094 -0.087 0.000 1.240 106 V CA -1.459 60.778 62.300 -0.105 0.000 1.063 106 V CB 0.657 32.509 31.823 0.048 0.000 1.076 106 V HN 0.760 nan 8.190 nan 0.000 0.446 107 F N 1.894 121.912 119.950 0.114 0.000 2.459 107 F HA 0.389 4.916 4.527 -0.000 0.000 0.346 107 F C 1.944 177.840 175.800 0.159 0.000 1.128 107 F CA 0.055 58.149 58.000 0.157 0.000 1.268 107 F CB 0.253 39.312 39.000 0.099 0.000 1.161 107 F HN 0.577 nan 8.300 nan 0.000 0.583 108 N N 1.370 120.285 118.700 0.357 0.000 2.096 108 N HA -0.241 4.499 4.740 -0.000 0.000 0.195 108 N C 1.838 177.460 175.510 0.188 0.000 1.017 108 N CA 1.652 54.842 53.050 0.233 0.000 0.870 108 N CB -0.352 38.247 38.487 0.187 0.000 1.024 108 N HN 0.671 nan 8.380 nan 0.000 0.434 109 Q N 0.298 120.210 119.800 0.186 0.000 2.436 109 Q HA -0.048 4.292 4.340 -0.000 0.000 0.209 109 Q C -0.182 175.900 176.000 0.136 0.000 0.965 109 Q CA 1.054 56.937 55.803 0.134 0.000 0.910 109 Q CB 0.054 28.853 28.738 0.102 0.000 0.980 109 Q HN 0.265 nan 8.270 nan 0.000 0.491 110 D N 0.736 121.239 120.400 0.171 0.000 2.340 110 D HA 0.093 4.733 4.640 -0.000 0.000 0.217 110 D C 1.654 178.039 176.300 0.141 0.000 1.081 110 D CA -0.020 54.068 54.000 0.147 0.000 0.842 110 D CB 0.628 41.526 40.800 0.163 0.000 0.934 110 D HN 0.029 nan 8.370 nan 0.000 0.511 111 V N 1.120 121.132 119.914 0.164 0.000 2.282 111 V HA -0.225 3.895 4.120 -0.000 0.000 0.249 111 V C 2.634 178.845 176.094 0.194 0.000 1.057 111 V CA 2.289 64.707 62.300 0.196 0.000 1.032 111 V CB -0.905 31.053 31.823 0.227 0.000 0.645 111 V HN 0.284 nan 8.190 nan 0.000 0.447 112 G N -0.413 108.494 108.800 0.179 0.000 2.440 112 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.218 112 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.218 112 G C 1.606 176.580 174.900 0.123 0.000 1.154 112 G CA 1.230 46.462 45.100 0.220 0.000 0.767 112 G HN 0.461 nan 8.290 nan 0.000 0.552 113 K N -0.144 120.302 120.400 0.076 0.000 2.057 113 K HA 0.021 4.341 4.320 -0.000 0.000 0.207 113 K C 2.361 178.933 176.600 -0.047 0.000 1.049 113 K CA 1.344 57.631 56.287 0.000 0.000 0.931 113 K CB -0.401 32.114 32.500 0.024 0.000 0.714 113 K HN 0.257 nan 8.250 nan 0.000 0.440 114 M N 0.069 119.673 119.600 0.008 0.000 2.117 114 M HA -0.037 4.443 4.480 -0.000 0.000 0.262 114 M C 1.711 178.004 176.300 -0.011 0.000 1.065 114 M CA 1.286 56.586 55.300 -0.000 0.000 1.114 114 M CB -0.515 32.110 32.600 0.042 0.000 1.361 114 M HN 0.247 nan 8.290 nan 0.000 0.408 115 L N 0.254 121.487 121.223 0.017 0.000 2.046 115 L HA -0.215 4.125 4.340 -0.000 0.000 0.208 115 L C 2.391 179.123 176.870 -0.230 0.000 1.077 115 L CA 2.200 57.046 54.840 0.010 0.000 0.747 115 L CB -1.146 41.040 42.059 0.213 0.000 0.896 115 L HN 0.633 nan 8.230 nan 0.000 0.432 116 Q N -0.740 118.737 119.800 -0.538 0.000 2.030 116 Q HA -0.223 4.117 4.340 -0.000 0.000 0.204 116 Q C 2.256 178.053 176.000 -0.338 0.000 0.986 116 Q CA 2.286 57.569 55.803 -0.866 0.000 0.843 116 Q CB -0.252 27.940 28.738 -0.910 0.000 0.904 116 Q HN 0.614 nan 8.270 nan 0.000 0.420 117 L N -0.084 121.030 121.223 -0.183 0.000 2.046 117 L HA -0.220 4.119 4.340 -0.000 0.000 0.208 117 L C 2.716 179.560 176.870 -0.043 0.000 1.077 117 L CA 1.202 56.007 54.840 -0.059 0.000 0.747 117 L CB -0.433 41.626 42.059 -0.000 0.000 0.896 117 L HN 0.395 nan 8.230 nan 0.000 0.432 118 M N -0.246 119.338 119.600 -0.027 0.000 2.108 118 M HA -0.192 4.288 4.480 -0.000 0.000 0.261 118 M C 2.468 178.586 176.300 -0.303 0.000 1.066 118 M CA 2.244 57.466 55.300 -0.130 0.000 1.107 118 M CB -0.379 32.183 32.600 -0.062 0.000 1.356 118 M HN 0.352 nan 8.290 nan 0.000 0.406 119 S N -0.672 114.891 115.700 -0.229 0.000 2.461 119 S HA -0.023 4.447 4.470 -0.000 0.000 0.228 119 S C 1.640 176.100 174.600 -0.233 0.000 1.005 119 S CA 0.490 58.530 58.200 -0.267 0.000 0.942 119 S CB -0.274 62.843 63.200 -0.137 0.000 0.776 119 S HN 0.374 nan 8.310 nan 0.000 0.514 120 E N 1.552 121.684 120.200 -0.113 0.000 2.047 120 E HA -0.082 4.268 4.350 -0.000 0.000 0.191 120 E C 2.165 178.699 176.600 -0.111 0.000 0.987 120 E CA 1.394 57.818 56.400 0.039 0.000 0.799 120 E CB -0.753 28.970 29.700 0.038 0.000 0.752 120 E HN 0.542 nan 8.360 nan 0.000 0.449 121 T N 0.085 114.488 114.554 -0.252 0.000 3.023 121 T HA -0.015 4.335 4.350 -0.000 0.000 0.266 121 T C 1.755 176.213 174.700 -0.403 0.000 1.093 121 T CA 0.487 62.389 62.100 -0.331 0.000 1.129 121 T CB 0.129 68.686 68.868 -0.518 0.000 0.899 121 T HN -0.099 nan 8.240 nan 0.000 0.491 122 V N 0.481 120.088 119.914 -0.512 0.000 2.878 122 V HA 0.187 4.307 4.120 -0.000 0.000 0.250 122 V C 2.485 178.296 176.094 -0.472 0.000 1.075 122 V CA 1.202 63.226 62.300 -0.460 0.000 1.096 122 V CB -0.234 31.232 31.823 -0.595 0.000 0.724 122 V HN 0.326 nan 8.190 nan 0.000 0.467 123 R N -1.586 118.499 120.500 -0.691 0.000 2.250 123 R HA 0.224 4.564 4.340 -0.000 0.000 0.194 123 R C 0.470 176.104 176.300 -1.110 0.000 0.927 123 R CA 0.446 55.895 56.100 -1.083 0.000 1.052 123 R CB 0.390 29.689 30.300 -1.669 0.000 1.055 123 R HN 0.453 nan 8.270 nan 0.000 0.537 124 F N 1.364 121.162 119.950 -0.254 0.000 2.841 124 F HA 0.307 4.834 4.527 -0.000 0.000 0.358 124 F C -2.231 173.438 175.800 -0.217 0.000 1.261 124 F CA -2.514 55.346 58.000 -0.233 0.000 1.233 124 F CB 0.686 39.507 39.000 -0.297 0.000 1.008 124 F HN -0.224 nan 8.300 nan 0.000 0.507 125 P HA 0.043 nan 4.420 nan 0.000 0.268 125 P C 0.355 177.611 177.300 -0.073 0.000 1.204 125 P CA 0.137 63.176 63.100 -0.101 0.000 0.768 125 P CB 1.626 33.236 31.700 -0.151 0.000 0.842 126 K N 2.387 122.752 120.400 -0.058 0.000 2.098 126 K HA 0.102 4.422 4.320 -0.000 0.000 0.203 126 K C 0.765 177.337 176.600 -0.046 0.000 1.051 126 K CA 0.243 56.501 56.287 -0.048 0.000 0.957 126 K CB -0.319 32.156 32.500 -0.041 0.000 0.738 126 K HN 0.470 nan 8.250 nan 0.000 0.447 127 I N 3.092 123.634 120.570 -0.047 0.000 7.174 127 I HA -0.258 3.912 4.170 -0.000 0.000 0.126 127 I C 0.284 176.385 176.117 -0.027 0.000 1.730 127 I CA 0.203 61.478 61.300 -0.041 0.000 2.263 127 I CB -1.914 36.054 38.000 -0.054 0.000 3.407 127 I HN 0.344 nan 8.210 nan 0.000 0.233 128 T N -1.229 113.312 114.554 -0.021 0.000 2.813 128 T HA 0.238 4.588 4.350 -0.000 0.000 0.297 128 T C 1.247 175.942 174.700 -0.009 0.000 1.036 128 T CA -0.174 61.918 62.100 -0.014 0.000 1.044 128 T CB 1.663 70.525 68.868 -0.011 0.000 0.993 128 T HN 0.475 nan 8.240 nan 0.000 0.535 129 E N 0.158 120.355 120.200 -0.005 0.000 2.070 129 E HA -0.276 4.074 4.350 -0.000 0.000 0.197 129 E C 2.212 178.811 176.600 -0.002 0.000 1.004 129 E CA 1.616 58.015 56.400 -0.001 0.000 0.805 129 E CB -0.131 29.569 29.700 0.001 0.000 0.744 129 E HN 0.801 nan 8.360 nan 0.000 0.451 130 Q N 0.682 120.480 119.800 -0.002 0.000 2.050 130 Q HA -0.229 4.111 4.340 -0.000 0.000 0.202 130 Q C 1.948 177.947 176.000 -0.002 0.000 0.980 130 Q CA 1.586 57.389 55.803 -0.001 0.000 0.840 130 Q CB 0.075 28.813 28.738 0.001 0.000 0.898 130 Q HN 0.301 nan 8.270 nan 0.000 0.424 131 E N 0.143 120.341 120.200 -0.004 0.000 2.085 131 E HA -0.224 4.126 4.350 -0.000 0.000 0.194 131 E C 2.017 178.609 176.600 -0.012 0.000 0.994 131 E CA 1.164 57.560 56.400 -0.006 0.000 0.801 131 E CB -0.156 29.539 29.700 -0.009 0.000 0.743 131 E HN 0.250 nan 8.360 nan 0.000 0.453 132 L N 1.180 122.395 121.223 -0.014 0.000 2.056 132 L HA -0.195 4.145 4.340 -0.000 0.000 0.207 132 L C 2.315 179.176 176.870 -0.015 0.000 1.078 132 L CA 1.748 56.578 54.840 -0.016 0.000 0.749 132 L CB -0.439 41.615 42.059 -0.009 0.000 0.901 132 L HN 0.002 nan 8.230 nan 0.000 0.433 133 Q N 0.153 119.948 119.800 -0.009 0.000 2.084 133 Q HA -0.211 4.129 4.340 -0.000 0.000 0.202 133 Q C 2.114 178.104 176.000 -0.016 0.000 0.978 133 Q CA 2.008 57.804 55.803 -0.011 0.000 0.844 133 Q CB -0.173 28.562 28.738 -0.006 0.000 0.898 133 Q HN 0.652 nan 8.270 nan 0.000 0.426 134 E N -0.665 119.529 120.200 -0.011 0.000 2.038 134 E HA -0.216 4.134 4.350 -0.000 0.000 0.195 134 E C 2.007 178.597 176.600 -0.017 0.000 1.000 134 E CA 1.225 57.620 56.400 -0.007 0.000 0.803 134 E CB -0.008 29.694 29.700 0.002 0.000 0.750 134 E HN 0.330 nan 8.360 nan 0.000 0.448 135 Q N 0.783 120.567 119.800 -0.026 0.000 2.124 135 Q HA -0.135 4.205 4.340 -0.000 0.000 0.202 135 Q C 1.923 177.895 176.000 -0.047 0.000 0.977 135 Q CA 1.278 57.054 55.803 -0.044 0.000 0.850 135 Q CB -0.175 28.523 28.738 -0.067 0.000 0.901 135 Q HN 0.218 nan 8.270 nan 0.000 0.429 136 K N 0.184 120.560 120.400 -0.041 0.000 2.025 136 K HA -0.121 4.199 4.320 -0.000 0.000 0.207 136 K C 2.048 178.604 176.600 -0.073 0.000 1.049 136 K CA 0.809 57.072 56.287 -0.040 0.000 0.933 136 K CB -0.273 32.211 32.500 -0.028 0.000 0.714 136 K HN 0.049 nan 8.250 nan 0.000 0.438 137 L N 1.035 122.205 121.223 -0.087 0.000 2.012 137 L HA -0.185 4.155 4.340 -0.000 0.000 0.210 137 L C 2.269 179.002 176.870 -0.230 0.000 1.073 137 L CA 1.896 56.636 54.840 -0.166 0.000 0.748 137 L CB -0.970 41.026 42.059 -0.105 0.000 0.891 137 L HN 0.082 nan 8.230 nan 0.000 0.431 138 S N -0.883 114.766 115.700 -0.085 0.000 2.383 138 S HA -0.109 4.361 4.470 -0.000 0.000 0.227 138 S C 2.133 176.743 174.600 0.017 0.000 1.026 138 S CA 1.078 59.278 58.200 -0.000 0.000 0.981 138 S CB -0.447 62.771 63.200 0.030 0.000 0.818 138 S HN 0.675 nan 8.310 nan 0.000 0.472 139 A N 1.170 123.992 122.820 0.003 0.000 1.933 139 A HA -0.071 4.249 4.320 -0.000 0.000 0.218 139 A C 1.971 179.581 177.584 0.044 0.000 1.175 139 A CA 1.519 53.603 52.037 0.079 0.000 0.628 139 A CB -0.648 18.409 19.000 0.095 0.000 0.814 139 A HN 0.712 nan 8.150 nan 0.000 0.444 140 E N -1.070 119.090 120.200 -0.067 0.000 2.058 140 E HA -0.226 4.124 4.350 -0.000 0.000 0.194 140 E C 1.832 178.450 176.600 0.029 0.000 0.997 140 E CA 1.591 57.942 56.400 -0.081 0.000 0.801 140 E CB -0.366 29.190 29.700 -0.239 0.000 0.746 140 E HN 0.765 nan 8.360 nan 0.000 0.450 141 Y N 1.127 121.460 120.300 0.054 0.000 2.242 141 Y HA -0.140 4.410 4.550 -0.000 0.000 0.291 141 Y C 2.276 178.208 175.900 0.053 0.000 1.137 141 Y CA 0.852 58.982 58.100 0.049 0.000 1.181 141 Y CB -0.613 37.868 38.460 0.036 0.000 0.989 141 Y HN 0.120 nan 8.280 nan 0.000 0.527 142 E N 0.011 120.334 120.200 0.205 0.000 2.077 142 E HA -0.201 4.149 4.350 -0.000 0.000 0.193 142 E C 1.928 178.584 176.600 0.092 0.000 0.989 142 E CA 1.317 57.795 56.400 0.129 0.000 0.800 142 E CB -0.191 29.585 29.700 0.127 0.000 0.746 142 E HN 0.302 nan 8.360 nan 0.000 0.452 143 I N 1.884 122.520 120.570 0.109 0.000 2.252 143 I HA -0.236 3.934 4.170 -0.000 0.000 0.245 143 I C 1.807 178.076 176.117 0.254 0.000 1.102 143 I CA 1.224 62.604 61.300 0.134 0.000 1.385 143 I CB -0.336 37.770 38.000 0.175 0.000 1.064 143 I HN 0.062 nan 8.210 nan 0.000 0.414 144 D N 0.363 120.904 120.400 0.234 0.000 2.149 144 D HA -0.185 4.455 4.640 -0.000 0.000 0.198 144 D C 2.148 178.570 176.300 0.203 0.000 0.990 144 D CA 1.154 55.297 54.000 0.239 0.000 0.839 144 D CB -0.127 40.800 40.800 0.211 0.000 0.948 144 D HN 0.454 nan 8.370 nan 0.000 0.460 145 E N 0.078 120.362 120.200 0.141 0.000 2.046 145 E HA -0.084 4.266 4.350 -0.000 0.000 0.190 145 E C 2.318 178.950 176.600 0.054 0.000 0.982 145 E CA 0.373 56.823 56.400 0.084 0.000 0.800 145 E CB 0.110 29.839 29.700 0.048 0.000 0.756 145 E HN 0.013 nan 8.360 nan 0.000 0.449 146 V N 0.391 120.306 119.914 0.000 0.000 2.324 146 V HA -0.252 3.867 4.120 -0.000 0.000 0.250 146 V C 1.481 177.486 176.094 -0.147 0.000 1.060 146 V CA 1.734 63.957 62.300 -0.129 0.000 1.042 146 V CB -0.524 31.140 31.823 -0.264 0.000 0.650 146 V HN 0.447 nan 8.190 nan 0.000 0.450 147 W N -0.949 120.346 121.300 -0.008 0.000 2.848 147 W HA 0.052 4.711 4.660 -0.000 0.000 0.241 147 W C 1.998 178.531 176.519 0.023 0.000 1.289 147 W CA 0.425 57.769 57.345 -0.001 0.000 1.396 147 W CB -0.287 29.175 29.460 0.004 0.000 1.138 147 W HN 0.259 nan 8.180 nan 0.000 0.677 148 M N -0.752 118.965 119.600 0.195 0.000 2.313 148 M HA 0.113 4.593 4.480 -0.000 0.000 0.273 148 M C 0.067 176.434 176.300 0.112 0.000 1.049 148 M CA 0.482 55.892 55.300 0.184 0.000 1.004 148 M CB 0.390 33.087 32.600 0.162 0.000 1.461 148 M HN -0.343 nan 8.290 nan 0.000 0.514 149 K N 1.047 121.466 120.400 0.032 0.000 2.334 149 K HA 0.277 4.597 4.320 -0.000 0.000 0.265 149 K C -2.172 174.389 176.600 -0.065 0.000 1.039 149 K CA -1.628 54.647 56.287 -0.020 0.000 0.920 149 K CB 1.354 33.820 32.500 -0.057 0.000 1.160 149 K HN -0.225 nan 8.250 nan 0.000 0.451 150 P HA -0.209 nan 4.420 nan 0.000 0.216 150 P C 0.285 177.468 177.300 -0.195 0.000 1.150 150 P CA 1.256 64.233 63.100 -0.205 0.000 0.837 150 P CB 0.305 31.730 31.700 -0.458 0.000 0.786 151 E N -0.809 119.309 120.200 -0.137 0.000 2.267 151 E HA -0.136 4.214 4.350 -0.000 0.000 0.197 151 E C 1.781 178.311 176.600 -0.115 0.000 0.998 151 E CA 0.975 57.314 56.400 -0.102 0.000 0.830 151 E CB -0.926 28.737 29.700 -0.062 0.000 0.751 151 E HN 0.300 nan 8.360 nan 0.000 0.491 152 L N -0.579 120.556 121.223 -0.147 0.000 2.269 152 L HA 0.036 4.376 4.340 -0.000 0.000 0.200 152 L C 2.174 178.893 176.870 -0.252 0.000 1.069 152 L CA 0.161 54.885 54.840 -0.193 0.000 0.804 152 L CB -0.281 41.648 42.059 -0.218 0.000 0.987 152 L HN 0.012 nan 8.230 nan 0.000 0.468 153 V N 0.446 120.204 119.914 -0.260 0.000 2.287 153 V HA -0.283 3.837 4.120 -0.000 0.000 0.248 153 V C 2.557 178.544 176.094 -0.177 0.000 1.053 153 V CA 1.435 63.565 62.300 -0.285 0.000 1.027 153 V CB -0.409 31.318 31.823 -0.160 0.000 0.646 153 V HN 0.280 nan 8.190 nan 0.000 0.447 154 L N -0.197 120.943 121.223 -0.138 0.000 2.012 154 L HA -0.118 4.222 4.340 -0.000 0.000 0.210 154 L C 0.327 177.131 176.870 -0.111 0.000 1.073 154 L CA 2.618 57.397 54.840 -0.101 0.000 0.748 154 L CB -2.718 39.282 42.059 -0.098 0.000 0.891 154 L HN 0.353 nan 8.230 nan 0.000 0.431 155 P HA -0.170 nan 4.420 nan 0.000 0.218 155 P C 1.462 178.725 177.300 -0.061 0.000 1.148 155 P CA 1.084 64.114 63.100 -0.117 0.000 0.822 155 P CB 0.168 31.800 31.700 -0.113 0.000 0.784 156 E N 0.237 120.345 120.200 -0.154 0.000 2.031 156 E HA -0.167 4.183 4.350 -0.000 0.000 0.193 156 E C 1.869 178.434 176.600 -0.059 0.000 0.994 156 E CA 1.315 57.612 56.400 -0.171 0.000 0.800 156 E CB -1.278 28.249 29.700 -0.289 0.000 0.752 156 E HN 0.101 nan 8.360 nan 0.000 0.447 157 L N 0.131 121.324 121.223 -0.050 0.000 2.079 157 L HA -0.155 4.185 4.340 -0.000 0.000 0.210 157 L C 2.571 179.429 176.870 -0.021 0.000 1.081 157 L CA 0.881 55.715 54.840 -0.010 0.000 0.752 157 L CB -0.584 41.472 42.059 -0.003 0.000 0.896 157 L HN 0.270 nan 8.230 nan 0.000 0.433 158 L N -0.514 120.686 121.223 -0.038 0.000 2.012 158 L HA -0.250 4.090 4.340 -0.000 0.000 0.210 158 L C 2.483 179.309 176.870 -0.075 0.000 1.073 158 L CA 1.980 56.771 54.840 -0.082 0.000 0.748 158 L CB -0.535 41.424 42.059 -0.167 0.000 0.891 158 L HN 0.182 nan 8.230 nan 0.000 0.431 159 H N -1.178 117.839 119.070 -0.088 0.000 2.321 159 H HA -0.099 4.457 4.556 -0.000 0.000 0.300 159 H C 2.155 177.511 175.328 0.047 0.000 1.087 159 H CA 1.964 58.020 56.048 0.013 0.000 1.319 159 H CB -0.739 28.985 29.762 -0.063 0.000 1.379 159 H HN 0.337 nan 8.280 nan 0.000 0.501 160 T N 0.138 114.757 114.554 0.108 0.000 2.720 160 T HA -0.195 4.155 4.350 -0.000 0.000 0.268 160 T C 2.302 177.004 174.700 0.003 0.000 1.037 160 T CA 1.389 63.520 62.100 0.051 0.000 1.144 160 T CB -0.497 68.386 68.868 0.026 0.000 0.864 160 T HN 0.503 nan 8.240 nan 0.000 0.444 161 A N 1.135 123.929 122.820 -0.042 0.000 1.929 161 A HA 0.351 4.671 4.320 -0.000 0.000 0.216 161 A C 2.607 180.059 177.584 -0.221 0.000 1.176 161 A CA 1.456 53.428 52.037 -0.108 0.000 0.628 161 A CB -0.914 18.023 19.000 -0.106 0.000 0.816 161 A HN 0.489 nan 8.150 nan 0.000 0.444 162 A N -1.666 120.989 122.820 -0.274 0.000 2.019 162 A HA -0.006 4.314 4.320 -0.000 0.000 0.219 162 A C 1.489 178.519 177.584 -0.923 0.000 1.164 162 A CA 1.358 53.016 52.037 -0.632 0.000 0.644 162 A CB -0.528 18.162 19.000 -0.518 0.000 0.805 162 A HN 0.625 nan 8.150 nan 0.000 0.449 163 Y N -1.141 119.038 120.300 -0.203 0.000 2.682 163 Y HA 0.284 4.834 4.550 -0.000 0.000 0.251 163 Y C 0.919 176.749 175.900 -0.118 0.000 1.172 163 Y CA 0.034 58.042 58.100 -0.153 0.000 1.186 163 Y CB 0.049 38.459 38.460 -0.085 0.000 1.216 163 Y HN 0.173 nan 8.280 nan 0.000 0.540 164 S N 0.529 116.209 115.700 -0.035 0.000 3.631 164 S HA -0.204 4.266 4.470 -0.000 0.000 0.366 164 S C 1.591 176.195 174.600 0.007 0.000 0.993 164 S CA 0.977 59.161 58.200 -0.027 0.000 1.167 164 S CB -1.650 61.528 63.200 -0.038 0.000 0.909 164 S HN 1.214 nan 8.310 nan 0.000 0.478 165 G N -0.531 108.283 108.800 0.023 0.000 2.189 165 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.267 165 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.267 165 G C -0.218 174.682 174.900 0.000 0.000 0.975 165 G CA 0.694 45.801 45.100 0.012 0.000 0.644 165 G HN 0.629 nan 8.290 nan 0.000 0.537 166 E N 0.297 120.505 120.200 0.014 0.000 2.214 166 E HA 0.526 4.876 4.350 -0.000 0.000 0.274 166 E C 1.495 178.038 176.600 -0.095 0.000 0.977 166 E CA 0.380 56.768 56.400 -0.019 0.000 0.827 166 E CB 1.372 31.077 29.700 0.008 0.000 1.130 166 E HN 0.860 nan 8.360 nan 0.000 0.394 167 T N -0.023 114.441 114.554 -0.149 0.000 12.930 167 T HA -0.394 3.956 4.350 -0.000 0.000 0.400 167 T C 1.619 176.078 174.700 -0.403 0.000 1.463 167 T CA 1.832 63.763 62.100 -0.282 0.000 2.252 167 T CB -1.201 67.492 68.868 -0.293 0.000 2.673 167 T HN 0.471 nan 8.240 nan 0.000 0.523 168 L N 2.046 122.898 121.223 -0.618 0.000 2.349 168 L HA 0.121 4.461 4.340 -0.000 0.000 0.220 168 L C 2.859 179.481 176.870 -0.415 0.000 1.130 168 L CA 1.562 55.948 54.840 -0.757 0.000 0.791 168 L CB -0.782 40.502 42.059 -1.292 0.000 0.918 168 L HN 0.872 nan 8.230 nan 0.000 0.444 169 G N -1.814 106.852 108.800 -0.222 0.000 3.159 169 G HA2 -0.030 3.930 3.960 -0.000 0.000 0.232 169 G HA3 -0.030 3.930 3.960 -0.000 0.000 0.232 169 G C 0.523 175.402 174.900 -0.034 0.000 1.116 169 G CA -0.096 45.029 45.100 0.042 0.000 0.767 169 G HN 0.168 nan 8.290 nan 0.000 0.547 170 S N 1.694 117.328 115.700 -0.110 0.000 2.510 170 S HA 0.367 4.837 4.470 -0.000 0.000 0.279 170 S C -2.297 172.242 174.600 -0.101 0.000 1.284 170 S CA -1.164 56.982 58.200 -0.090 0.000 1.059 170 S CB 0.670 63.805 63.200 -0.109 0.000 0.901 170 S HN -0.020 nan 8.310 nan 0.000 0.491 171 P HA -0.109 nan 4.420 nan 0.000 0.257 171 P C 0.337 177.565 177.300 -0.120 0.000 1.144 171 P CA 0.225 63.281 63.100 -0.073 0.000 0.761 171 P CB 0.235 31.921 31.700 -0.023 0.000 0.734 172 L N 5.338 126.456 121.223 -0.176 0.000 2.307 172 L HA 0.205 4.545 4.340 -0.000 0.000 0.211 172 L C 0.650 177.389 176.870 -0.218 0.000 1.099 172 L CA 1.097 55.810 54.840 -0.211 0.000 0.816 172 L CB -0.091 41.802 42.059 -0.278 0.000 0.952 172 L HN 0.230 nan 8.230 nan 0.000 0.455 173 I N 0.301 120.743 120.570 -0.213 0.000 2.312 173 I HA 0.125 4.295 4.170 -0.000 0.000 0.290 173 I C -0.071 175.997 176.117 -0.082 0.000 1.008 173 I CA -0.643 60.524 61.300 -0.221 0.000 1.226 173 I CB 0.915 38.709 38.000 -0.343 0.000 1.371 173 I HN 0.001 nan 8.210 nan 0.000 0.468 174 C N 9.105 128.359 119.300 -0.076 0.000 2.648 174 C HA 0.240 4.699 4.460 -0.000 0.000 0.415 174 C C -1.859 173.172 174.990 0.069 0.000 1.366 174 C CA -1.152 57.865 59.018 -0.001 0.000 1.756 174 C CB -0.362 27.381 27.740 0.004 0.000 2.549 174 C HN 0.512 nan 8.230 nan 0.000 0.597 175 P HA 0.072 nan 4.420 nan 0.000 0.262 175 P C 0.771 178.108 177.300 0.063 0.000 1.182 175 P CA 0.379 63.532 63.100 0.088 0.000 0.761 175 P CB 0.322 32.048 31.700 0.043 0.000 0.795 176 R N 2.984 123.522 120.500 0.063 0.000 2.094 176 R HA -0.164 4.176 4.340 -0.000 0.000 0.239 176 R C 2.236 178.541 176.300 0.010 0.000 1.137 176 R CA 2.185 58.307 56.100 0.036 0.000 0.943 176 R CB -1.061 29.249 30.300 0.017 0.000 0.850 176 R HN 0.689 nan 8.270 nan 0.000 0.433 177 G N 0.022 108.820 108.800 -0.003 0.000 2.535 177 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.218 177 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.218 177 G C 1.239 176.136 174.900 -0.005 0.000 1.122 177 G CA 0.253 45.348 45.100 -0.008 0.000 0.769 177 G HN 0.229 nan 8.290 nan 0.000 0.549 178 L N -0.155 121.067 121.223 -0.001 0.000 2.567 178 L HA 0.306 4.646 4.340 -0.000 0.000 0.225 178 L C 2.406 179.274 176.870 -0.003 0.000 1.119 178 L CA -0.154 54.681 54.840 -0.008 0.000 0.871 178 L CB -0.009 42.041 42.059 -0.014 0.000 1.036 178 L HN 0.179 nan 8.230 nan 0.000 0.459 179 I N 0.947 121.520 120.570 0.006 0.000 2.252 179 I HA -0.161 4.008 4.170 -0.000 0.000 0.245 179 I C -0.356 175.766 176.117 0.008 0.000 1.102 179 I CA 1.277 62.582 61.300 0.009 0.000 1.385 179 I CB -0.940 37.066 38.000 0.009 0.000 1.064 179 I HN 0.198 nan 8.210 nan 0.000 0.414 180 P HA -0.117 nan 4.420 nan 0.000 0.222 180 P C 1.257 178.575 177.300 0.030 0.000 1.147 180 P CA 1.258 64.363 63.100 0.008 0.000 0.790 180 P CB -0.078 31.622 31.700 0.000 0.000 0.780 181 S N -1.854 113.867 115.700 0.034 0.000 2.577 181 S HA 0.146 4.616 4.470 -0.000 0.000 0.219 181 S C 0.628 175.295 174.600 0.112 0.000 0.962 181 S CA -0.337 57.904 58.200 0.068 0.000 0.921 181 S CB -0.985 62.244 63.200 0.048 0.000 0.789 181 S HN 0.006 nan 8.310 nan 0.000 0.497 182 I N 3.964 124.583 120.570 0.082 0.000 2.347 182 I HA 0.162 4.332 4.170 -0.000 0.000 0.294 182 I C 0.540 176.757 176.117 0.166 0.000 1.090 182 I CA -0.252 61.118 61.300 0.116 0.000 1.314 182 I CB 0.517 38.548 38.000 0.052 0.000 1.423 182 I HN 0.358 nan 8.210 nan 0.000 0.503 183 S N 5.049 120.931 115.700 0.303 0.000 2.690 183 S HA 0.334 4.804 4.470 -0.000 0.000 0.291 183 S C 0.896 175.591 174.600 0.159 0.000 1.138 183 S CA -0.912 57.418 58.200 0.216 0.000 1.013 183 S CB 2.119 65.458 63.200 0.233 0.000 1.053 183 S HN 0.665 nan 8.310 nan 0.000 0.539 184 K N -0.087 120.368 120.400 0.092 0.000 2.103 184 K HA -0.212 4.108 4.320 -0.000 0.000 0.207 184 K C 1.868 178.488 176.600 0.033 0.000 1.048 184 K CA 1.619 57.934 56.287 0.046 0.000 0.930 184 K CB -0.518 31.998 32.500 0.027 0.000 0.716 184 K HN 0.759 nan 8.250 nan 0.000 0.444 185 Y N 0.102 120.360 120.300 -0.070 0.000 2.128 185 Y HA -0.327 4.223 4.550 -0.000 0.000 0.284 185 Y C 1.647 177.459 175.900 -0.148 0.000 1.154 185 Y CA 1.965 59.970 58.100 -0.159 0.000 1.149 185 Y CB -0.381 37.901 38.460 -0.297 0.000 0.976 185 Y HN 0.095 nan 8.280 nan 0.000 0.505 186 Y N 0.070 120.366 120.300 -0.006 0.000 2.242 186 Y HA -0.188 4.362 4.550 -0.000 0.000 0.291 186 Y C 2.343 178.211 175.900 -0.054 0.000 1.137 186 Y CA 1.513 59.575 58.100 -0.063 0.000 1.181 186 Y CB -0.673 37.852 38.460 0.108 0.000 0.989 186 Y HN 0.149 nan 8.280 nan 0.000 0.527 187 L N -0.877 120.409 121.223 0.104 0.000 2.083 187 L HA -0.228 4.112 4.340 -0.000 0.000 0.209 187 L C 2.113 178.976 176.870 -0.013 0.000 1.083 187 L CA 1.113 55.973 54.840 0.034 0.000 0.752 187 L CB -0.636 41.411 42.059 -0.020 0.000 0.899 187 L HN 0.251 nan 8.230 nan 0.000 0.433 188 L N -0.588 120.577 121.223 -0.095 0.000 2.156 188 L HA -0.182 4.158 4.340 -0.000 0.000 0.208 188 L C 2.137 178.922 176.870 -0.143 0.000 1.095 188 L CA 1.009 55.770 54.840 -0.131 0.000 0.770 188 L CB -0.457 41.508 42.059 -0.157 0.000 0.914 188 L HN 0.263 nan 8.230 nan 0.000 0.439 189 D N -0.568 119.698 120.400 -0.224 0.000 2.117 189 D HA -0.268 4.372 4.640 -0.000 0.000 0.198 189 D C 2.077 178.367 176.300 -0.018 0.000 0.982 189 D CA 1.174 55.059 54.000 -0.191 0.000 0.828 189 D CB -0.023 40.628 40.800 -0.248 0.000 0.967 189 D HN 0.241 nan 8.370 nan 0.000 0.464 190 Y N 1.345 121.644 120.300 -0.000 0.000 2.114 190 Y HA -0.126 4.424 4.550 -0.000 0.000 0.284 190 Y C 2.265 178.256 175.900 0.151 0.000 1.143 190 Y CA 1.795 59.992 58.100 0.161 0.000 1.135 190 Y CB -0.196 38.411 38.460 0.244 0.000 0.980 190 Y HN -0.123 nan 8.280 nan 0.000 0.499 191 R N -0.112 120.578 120.500 0.316 0.000 2.096 191 R HA -0.205 4.135 4.340 -0.000 0.000 0.240 191 R C 1.750 178.112 176.300 0.102 0.000 1.139 191 R CA 1.563 57.736 56.100 0.121 0.000 0.952 191 R CB -0.554 29.616 30.300 -0.216 0.000 0.854 191 R HN 0.385 nan 8.270 nan 0.000 0.436 192 N N 0.644 119.332 118.700 -0.019 0.000 2.520 192 N HA -0.094 4.646 4.740 -0.000 0.000 0.185 192 N C 1.196 176.604 175.510 -0.169 0.000 1.068 192 N CA 1.059 54.069 53.050 -0.066 0.000 0.911 192 N CB 0.106 38.540 38.487 -0.089 0.000 0.961 192 N HN 0.305 nan 8.380 nan 0.000 0.446 193 K N -0.937 119.266 120.400 -0.328 0.000 2.168 193 K HA 0.147 4.467 4.320 -0.000 0.000 0.201 193 K C 0.803 176.939 176.600 -0.773 0.000 1.049 193 K CA 0.684 56.554 56.287 -0.694 0.000 0.974 193 K CB 0.185 31.966 32.500 -1.198 0.000 0.792 193 K HN 0.041 nan 8.250 nan 0.000 0.463 194 F N -1.356 118.546 119.950 -0.080 0.000 2.653 194 F HA 0.161 4.688 4.527 -0.000 0.000 0.288 194 F C 0.325 176.159 175.800 0.056 0.000 1.121 194 F CA -0.368 57.578 58.000 -0.090 0.000 1.384 194 F CB 0.113 38.983 39.000 -0.216 0.000 1.115 194 F HN -0.149 nan 8.300 nan 0.000 0.599 195 Y N 2.323 122.739 120.300 0.193 0.000 2.667 195 Y HA 0.304 4.854 4.550 -0.000 0.000 0.340 195 Y C 0.795 176.834 175.900 0.232 0.000 1.303 195 Y CA -0.983 57.283 58.100 0.278 0.000 1.769 195 Y CB -0.831 37.800 38.460 0.284 0.000 1.804 195 Y HN -0.090 nan 8.280 nan 0.000 0.451 196 T N -1.894 112.659 114.554 -0.002 0.000 2.908 196 T HA 0.339 4.689 4.350 -0.000 0.000 0.290 196 T C -1.993 172.163 174.700 -0.906 0.000 1.034 196 T CA -2.574 59.232 62.100 -0.490 0.000 1.010 196 T CB 2.670 71.314 68.868 -0.374 0.000 1.068 196 T HN 0.026 nan 8.240 nan 0.000 0.481 197 P HA -0.168 nan 4.420 nan 0.000 0.216 197 P C 1.206 178.256 177.300 -0.417 0.000 1.150 197 P CA 1.269 63.741 63.100 -1.047 0.000 0.837 197 P CB 0.108 31.285 31.700 -0.873 0.000 0.786 198 E N -0.144 119.840 120.200 -0.361 0.000 2.516 198 E HA -0.136 4.214 4.350 -0.000 0.000 0.199 198 E C 0.757 177.275 176.600 -0.137 0.000 1.069 198 E CA 0.702 56.985 56.400 -0.195 0.000 0.876 198 E CB -0.999 28.596 29.700 -0.175 0.000 0.843 198 E HN 0.214 nan 8.360 nan 0.000 0.530 199 N N 0.017 118.625 118.700 -0.153 0.000 2.235 199 N HA 0.077 4.817 4.740 -0.000 0.000 0.231 199 N C -1.223 174.267 175.510 -0.032 0.000 1.177 199 N CA -0.028 52.972 53.050 -0.084 0.000 0.874 199 N CB 0.844 39.280 38.487 -0.084 0.000 1.097 199 N HN -0.075 nan 8.380 nan 0.000 0.518 200 T N -0.855 113.692 114.554 -0.011 0.000 2.906 200 T HA 0.566 4.916 4.350 -0.000 0.000 0.295 200 T C -1.049 173.722 174.700 0.119 0.000 1.061 200 T CA -0.531 61.618 62.100 0.082 0.000 1.000 200 T CB 2.382 71.360 68.868 0.183 0.000 1.103 200 T HN -0.286 nan 8.240 nan 0.000 0.486 201 V N 1.408 121.431 119.914 0.182 0.000 2.709 201 V HA 0.799 4.919 4.120 -0.000 0.000 0.308 201 V C -0.545 175.708 176.094 0.264 0.000 1.062 201 V CA -0.925 61.494 62.300 0.198 0.000 0.901 201 V CB 1.872 33.788 31.823 0.156 0.000 1.003 201 V HN 1.116 nan 8.190 nan 0.000 0.425 202 A N 3.597 126.560 122.820 0.237 0.000 2.271 202 A HA 0.947 5.267 4.320 -0.000 0.000 0.317 202 A C -0.117 177.579 177.584 0.187 0.000 1.245 202 A CA -0.148 52.011 52.037 0.203 0.000 0.857 202 A CB 1.110 20.294 19.000 0.305 0.000 1.175 202 A HN 1.380 nan 8.150 nan 0.000 0.512 203 A N 1.981 124.789 122.820 -0.020 0.000 2.401 203 A HA 0.928 5.248 4.320 -0.000 0.000 0.310 203 A C -1.227 176.167 177.584 -0.317 0.000 1.075 203 A CA -0.416 51.642 52.037 0.035 0.000 0.746 203 A CB 0.784 19.814 19.000 0.051 0.000 1.277 203 A HN 0.774 nan 8.150 nan 0.000 0.425 204 F N 0.463 120.513 119.950 0.168 0.000 2.591 204 F HA 0.579 5.106 4.527 -0.000 0.000 0.309 204 F C -0.303 175.575 175.800 0.128 0.000 1.098 204 F CA -0.886 57.202 58.000 0.145 0.000 0.937 204 F CB 2.379 41.450 39.000 0.118 0.000 1.250 204 F HN 0.292 nan 8.300 nan 0.000 0.447 205 V N 1.504 121.583 119.914 0.274 0.000 2.448 205 V HA 0.662 4.782 4.120 -0.000 0.000 0.295 205 V C 0.419 176.597 176.094 0.140 0.000 1.025 205 V CA -0.401 62.005 62.300 0.176 0.000 0.859 205 V CB 1.066 32.958 31.823 0.114 0.000 0.988 205 V HN 1.075 nan 8.190 nan 0.000 0.431 206 G N 4.141 113.003 108.800 0.102 0.000 2.137 206 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.237 206 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.237 206 G C -0.206 174.743 174.900 0.081 0.000 1.002 206 G CA 0.182 45.315 45.100 0.056 0.000 0.702 206 G HN 0.805 nan 8.290 nan 0.000 0.515 207 V N 0.793 120.774 119.914 0.112 0.000 2.487 207 V HA 0.512 4.632 4.120 -0.000 0.000 0.298 207 V C -1.950 174.157 176.094 0.022 0.000 1.028 207 V CA -1.827 60.513 62.300 0.067 0.000 0.860 207 V CB 2.186 34.057 31.823 0.080 0.000 0.991 207 V HN 0.109 nan 8.190 nan 0.000 0.427 208 P HA 0.087 nan 4.420 nan 0.000 0.265 208 P C 0.624 177.909 177.300 -0.024 0.000 1.193 208 P CA 0.176 63.278 63.100 0.003 0.000 0.765 208 P CB 0.455 32.151 31.700 -0.005 0.000 0.823 209 H N 2.396 121.421 119.070 -0.075 0.000 2.357 209 H HA -0.233 4.322 4.556 -0.000 0.000 0.296 209 H C 1.714 176.974 175.328 -0.112 0.000 1.108 209 H CA 2.137 58.126 56.048 -0.099 0.000 1.273 209 H CB 0.089 29.801 29.762 -0.084 0.000 1.367 209 H HN 0.403 nan 8.280 nan 0.000 0.498 210 E N 0.238 120.412 120.200 -0.043 0.000 2.058 210 E HA -0.162 4.188 4.350 -0.000 0.000 0.194 210 E C 2.198 178.709 176.600 -0.148 0.000 0.997 210 E CA 1.403 57.753 56.400 -0.083 0.000 0.801 210 E CB -0.123 29.560 29.700 -0.028 0.000 0.746 210 E HN 0.284 nan 8.360 nan 0.000 0.450 211 K N 0.069 120.384 120.400 -0.142 0.000 2.057 211 K HA -0.016 4.304 4.320 -0.000 0.000 0.207 211 K C 1.827 178.272 176.600 -0.260 0.000 1.049 211 K CA 1.510 57.705 56.287 -0.154 0.000 0.931 211 K CB -0.604 31.828 32.500 -0.115 0.000 0.714 211 K HN 0.136 nan 8.250 nan 0.000 0.440 212 A N 0.530 123.101 122.820 -0.415 0.000 1.902 212 A HA -0.085 4.235 4.320 -0.000 0.000 0.217 212 A C 2.227 179.543 177.584 -0.447 0.000 1.181 212 A CA 1.450 53.066 52.037 -0.701 0.000 0.623 212 A CB -0.643 17.768 19.000 -0.981 0.000 0.818 212 A HN 0.325 nan 8.150 nan 0.000 0.443 213 L N -0.860 120.131 121.223 -0.386 0.000 2.083 213 L HA -0.202 4.138 4.340 -0.000 0.000 0.209 213 L C 2.675 179.455 176.870 -0.151 0.000 1.083 213 L CA 1.771 56.463 54.840 -0.246 0.000 0.752 213 L CB -0.416 41.500 42.059 -0.237 0.000 0.899 213 L HN 0.613 nan 8.230 nan 0.000 0.433 214 E N 0.534 120.642 120.200 -0.154 0.000 2.023 214 E HA -0.248 4.102 4.350 -0.000 0.000 0.196 214 E C 2.356 178.885 176.600 -0.119 0.000 1.003 214 E CA 1.374 57.704 56.400 -0.117 0.000 0.809 214 E CB -0.063 29.574 29.700 -0.105 0.000 0.755 214 E HN 0.417 nan 8.360 nan 0.000 0.449 215 L N 0.322 121.479 121.223 -0.109 0.000 2.046 215 L HA -0.174 4.166 4.340 -0.000 0.000 0.208 215 L C 2.730 179.623 176.870 0.038 0.000 1.077 215 L CA 1.593 56.409 54.840 -0.039 0.000 0.747 215 L CB -0.569 41.525 42.059 0.058 0.000 0.896 215 L HN 0.229 nan 8.230 nan 0.000 0.432 216 T N -0.368 114.219 114.554 0.055 0.000 2.708 216 T HA -0.142 4.208 4.350 -0.000 0.000 0.266 216 T C 1.837 176.593 174.700 0.093 0.000 1.037 216 T CA 1.403 63.594 62.100 0.151 0.000 1.146 216 T CB -0.616 68.340 68.868 0.146 0.000 0.865 216 T HN 0.566 nan 8.240 nan 0.000 0.435 217 G N 1.338 110.145 108.800 0.011 0.000 2.422 217 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.218 217 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.218 217 G C 1.485 176.361 174.900 -0.040 0.000 1.146 217 G CA 1.128 46.228 45.100 0.000 0.000 0.769 217 G HN 0.492 nan 8.290 nan 0.000 0.547 218 K N -0.787 119.521 120.400 -0.154 0.000 2.057 218 K HA -0.102 4.218 4.320 -0.000 0.000 0.207 218 K C 1.990 178.401 176.600 -0.314 0.000 1.049 218 K CA 1.291 57.381 56.287 -0.328 0.000 0.931 218 K CB -0.218 31.911 32.500 -0.619 0.000 0.714 218 K HN 0.416 nan 8.250 nan 0.000 0.440 219 Y N -0.949 119.391 120.300 0.065 0.000 2.509 219 Y HA 0.130 4.680 4.550 -0.000 0.000 0.270 219 Y C 1.256 177.206 175.900 0.083 0.000 1.103 219 Y CA -0.013 58.131 58.100 0.073 0.000 1.278 219 Y CB 0.649 39.147 38.460 0.064 0.000 1.087 219 Y HN 0.018 nan 8.280 nan 0.000 0.542 220 L N -1.747 119.620 121.223 0.239 0.000 2.878 220 L HA 0.374 4.714 4.340 -0.000 0.000 0.253 220 L C 2.174 179.212 176.870 0.280 0.000 1.135 220 L CA 0.637 55.632 54.840 0.258 0.000 0.943 220 L CB -0.956 41.281 42.059 0.296 0.000 1.307 220 L HN 0.197 nan 8.230 nan 0.000 0.545 221 G N 0.959 109.865 108.800 0.177 0.000 2.442 221 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.219 221 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.219 221 G C 1.001 175.990 174.900 0.148 0.000 1.141 221 G CA 1.133 46.314 45.100 0.135 0.000 0.763 221 G HN 0.564 nan 8.290 nan 0.000 0.554 222 D N -1.487 119.015 120.400 0.170 0.000 2.328 222 D HA -0.032 4.608 4.640 -0.000 0.000 0.226 222 D C 0.380 176.830 176.300 0.250 0.000 1.066 222 D CA -0.722 53.379 54.000 0.167 0.000 0.861 222 D CB -0.299 40.586 40.800 0.142 0.000 0.912 222 D HN 0.246 nan 8.370 nan 0.000 0.521 223 W N 2.907 124.235 121.300 0.045 0.000 2.251 223 W HA 0.220 4.880 4.660 -0.000 0.000 0.327 223 W C -0.274 176.244 176.519 -0.002 0.000 1.361 223 W CA -0.658 56.696 57.345 0.014 0.000 1.234 223 W CB 0.340 29.794 29.460 -0.010 0.000 1.212 223 W HN -0.079 nan 8.180 nan 0.000 0.557 224 Q N 3.916 123.778 119.800 0.104 0.000 2.348 224 Q HA 0.352 4.692 4.340 -0.000 0.000 0.271 224 Q C -0.293 175.541 176.000 -0.277 0.000 1.067 224 Q CA -0.984 54.761 55.803 -0.096 0.000 0.839 224 Q CB 2.136 30.886 28.738 0.019 0.000 1.354 224 Q HN 0.462 nan 8.270 nan 0.000 0.447 225 S N -0.129 115.348 115.700 -0.371 0.000 2.603 225 S HA 0.109 4.579 4.470 -0.000 0.000 0.268 225 S C 0.888 175.273 174.600 -0.358 0.000 1.317 225 S CA 0.061 57.965 58.200 -0.494 0.000 1.012 225 S CB 0.632 63.396 63.200 -0.727 0.000 0.926 225 S HN 0.734 nan 8.310 nan 0.000 0.539 226 T N -0.016 114.367 114.554 -0.285 0.000 3.086 226 T HA 0.213 4.563 4.350 -0.000 0.000 0.250 226 T C 0.212 174.872 174.700 -0.067 0.000 1.074 226 T CA 0.073 62.101 62.100 -0.120 0.000 0.988 226 T CB -0.546 68.275 68.868 -0.079 0.000 0.988 226 T HN 0.840 nan 8.240 nan 0.000 0.530 227 H N 2.097 121.109 119.070 -0.097 0.000 2.677 227 H HA -0.075 4.481 4.556 -0.000 0.000 0.321 227 H C -2.134 173.139 175.328 -0.093 0.000 1.171 227 H CA 0.638 56.632 56.048 -0.089 0.000 1.139 227 H CB -1.666 28.056 29.762 -0.066 0.000 1.515 227 H HN 0.532 nan 8.280 nan 0.000 0.423 228 P HA 0.235 nan 4.420 nan 0.000 0.276 228 P C -2.360 174.886 177.300 -0.091 0.000 1.261 228 P CA -1.276 61.760 63.100 -0.106 0.000 0.800 228 P CB 0.413 31.989 31.700 -0.206 0.000 1.066 229 P HA 0.220 nan 4.420 nan 0.000 0.271 229 P C -0.441 176.807 177.300 -0.086 0.000 1.220 229 P CA -0.049 63.011 63.100 -0.065 0.000 0.768 229 P CB -0.084 31.585 31.700 -0.050 0.000 0.848 230 I N 2.903 123.443 120.570 -0.050 0.000 2.471 230 I HA 0.052 4.222 4.170 -0.000 0.000 0.294 230 I C 0.953 177.069 176.117 -0.002 0.000 1.123 230 I CA 0.683 61.961 61.300 -0.037 0.000 1.336 230 I CB -0.585 37.408 38.000 -0.012 0.000 1.430 230 I HN 0.308 nan 8.210 nan 0.000 0.533 231 T N 2.656 117.216 114.554 0.011 0.000 3.377 231 T HA 0.401 4.751 4.350 -0.000 0.000 0.270 231 T C 0.138 174.947 174.700 0.182 0.000 1.586 231 T CA -0.859 61.289 62.100 0.080 0.000 1.487 231 T CB -0.496 68.416 68.868 0.073 0.000 0.994 231 T HN 0.391 nan 8.240 nan 0.000 0.689 232 K N 2.290 122.791 120.400 0.168 0.000 2.527 232 K HA 0.334 4.654 4.320 -0.000 0.000 0.240 232 K C -0.415 176.290 176.600 0.176 0.000 0.989 232 K CA -0.635 55.813 56.287 0.269 0.000 0.985 232 K CB 1.643 34.303 32.500 0.267 0.000 1.221 232 K HN 0.381 nan 8.250 nan 0.000 0.458 233 K N 1.543 122.027 120.400 0.140 0.000 2.218 233 K HA 0.188 4.508 4.320 -0.000 0.000 0.276 233 K C 0.472 177.098 176.600 0.043 0.000 1.022 233 K CA -0.816 55.515 56.287 0.074 0.000 0.946 233 K CB 1.030 33.560 32.500 0.050 0.000 1.000 233 K HN 0.275 nan 8.250 nan 0.000 0.468 234 V N -0.176 119.765 119.914 0.044 0.000 2.811 234 V HA 0.339 4.459 4.120 -0.000 0.000 0.302 234 V C 0.328 176.430 176.094 0.013 0.000 1.063 234 V CA -0.867 61.453 62.300 0.035 0.000 1.088 234 V CB 0.697 32.553 31.823 0.055 0.000 0.982 234 V HN 0.818 nan 8.190 nan 0.000 0.485 235 A N 4.237 127.052 122.820 -0.008 0.000 2.454 235 A HA 0.430 4.750 4.320 -0.000 0.000 0.260 235 A C 0.278 177.956 177.584 0.156 0.000 1.106 235 A CA -0.312 51.711 52.037 -0.023 0.000 0.780 235 A CB -0.165 18.743 19.000 -0.153 0.000 1.044 235 A HN 0.958 nan 8.150 nan 0.000 0.498 236 Q N 1.829 121.766 119.800 0.228 0.000 2.425 236 Q HA 0.236 4.576 4.340 -0.000 0.000 0.254 236 Q C -1.366 174.838 176.000 0.340 0.000 1.032 236 Q CA -0.364 55.586 55.803 0.245 0.000 0.798 236 Q CB 1.673 30.493 28.738 0.137 0.000 1.210 236 Q HN 0.754 nan 8.270 nan 0.000 0.491 237 Y N 2.360 122.766 120.300 0.176 0.000 2.442 237 Y HA -0.027 4.523 4.550 -0.000 0.000 0.330 237 Y C 1.112 176.956 175.900 -0.093 0.000 1.129 237 Y CA 1.156 59.187 58.100 -0.116 0.000 1.365 237 Y CB 0.863 39.237 38.460 -0.142 0.000 1.233 237 Y HN 0.684 nan 8.280 nan 0.000 0.529 238 T N 1.754 115.883 114.554 -0.708 0.000 2.987 238 T HA 0.504 4.854 4.350 -0.000 0.000 0.248 238 T C 0.872 175.219 174.700 -0.588 0.000 0.997 238 T CA 0.344 62.187 62.100 -0.428 0.000 1.013 238 T CB -0.531 68.180 68.868 -0.261 0.000 1.077 238 T HN 1.492 nan 8.240 nan 0.000 0.483 239 G N -0.134 108.006 108.800 -1.099 0.000 2.781 239 G HA2 0.414 4.373 3.960 -0.000 0.000 0.683 239 G HA3 0.414 4.373 3.960 -0.000 0.000 0.683 239 G C -0.013 174.678 174.900 -0.349 0.000 1.390 239 G CA -0.572 44.130 45.100 -0.663 0.000 0.850 239 G HN 1.831 nan 8.290 nan 0.000 0.557 240 G N -0.852 107.812 108.800 -0.226 0.000 2.324 240 G HA2 0.610 4.570 3.960 -0.000 0.000 0.293 240 G HA3 0.610 4.570 3.960 -0.000 0.000 0.293 240 G C -1.298 173.529 174.900 -0.123 0.000 1.297 240 G CA 0.331 45.339 45.100 -0.153 0.000 0.853 240 G HN 0.965 nan 8.290 nan 0.000 0.535 241 E N -0.855 119.288 120.200 -0.094 0.000 2.288 241 E HA 0.729 5.079 4.350 -0.000 0.000 0.268 241 E C -1.200 175.355 176.600 -0.075 0.000 0.885 241 E CA -0.725 55.624 56.400 -0.085 0.000 0.767 241 E CB 2.286 31.947 29.700 -0.066 0.000 1.220 241 E HN 0.539 nan 8.360 nan 0.000 0.427 242 S N 0.962 116.612 115.700 -0.083 0.000 2.558 242 S HA 0.430 4.900 4.470 -0.000 0.000 0.277 242 S C -2.067 172.484 174.600 -0.082 0.000 1.143 242 S CA -0.570 57.590 58.200 -0.066 0.000 0.865 242 S CB 1.434 64.605 63.200 -0.049 0.000 1.102 242 S HN 0.591 nan 8.310 nan 0.000 0.454 243 C N 5.879 125.141 119.300 -0.063 0.000 2.642 243 C HA 0.757 5.217 4.460 -0.000 0.000 0.344 243 C C -0.768 174.197 174.990 -0.042 0.000 1.110 243 C CA -0.712 58.264 59.018 -0.070 0.000 1.298 243 C CB -0.662 27.038 27.740 -0.067 0.000 1.827 243 C HN 0.854 nan 8.230 nan 0.000 0.467 244 I N 3.432 123.983 120.570 -0.032 0.000 2.793 244 I HA 0.743 4.913 4.170 -0.000 0.000 0.313 244 I C -2.532 173.557 176.117 -0.046 0.000 0.998 244 I CA -2.552 58.736 61.300 -0.021 0.000 1.140 244 I CB 1.141 39.157 38.000 0.025 0.000 1.327 244 I HN 0.307 nan 8.210 nan 0.000 0.491 245 P HA 0.229 nan 4.420 nan 0.000 0.271 245 P C -2.578 174.674 177.300 -0.080 0.000 1.233 245 P CA -0.808 62.251 63.100 -0.069 0.000 0.789 245 P CB -0.428 31.244 31.700 -0.047 0.000 0.951 246 P HA 0.112 nan 4.420 nan 0.000 0.271 246 P C -0.504 176.801 177.300 0.008 0.000 1.216 246 P CA 0.201 63.258 63.100 -0.071 0.000 0.771 246 P CB 0.236 31.946 31.700 0.016 0.000 0.864 247 A N 5.436 128.292 122.820 0.061 0.000 2.466 247 A HA 0.346 4.666 4.320 -0.000 0.000 0.238 247 A C -1.941 175.570 177.584 -0.122 0.000 1.074 247 A CA -0.881 51.177 52.037 0.034 0.000 0.774 247 A CB -1.368 17.721 19.000 0.149 0.000 1.015 247 A HN 0.434 nan 8.150 nan 0.000 0.498 248 P HA 0.209 nan 4.420 nan 0.000 0.266 248 P C -0.320 176.529 177.300 -0.752 0.000 1.195 248 P CA -0.174 62.685 63.100 -0.401 0.000 0.768 248 P CB 0.425 31.930 31.700 -0.325 0.000 0.838 249 V N 1.376 121.035 119.914 -0.425 0.000 2.381 249 V HA 0.153 4.273 4.120 -0.000 0.000 0.257 249 V C 0.413 176.321 176.094 -0.310 0.000 1.057 249 V CA -0.101 62.001 62.300 -0.330 0.000 1.013 249 V CB -1.675 30.072 31.823 -0.126 0.000 1.069 249 V HN 0.231 nan 8.190 nan 0.000 0.484 250 F N 4.179 124.155 119.950 0.044 0.000 2.070 250 F HA 0.541 5.068 4.527 -0.000 0.000 0.199 250 F C 2.039 177.854 175.800 0.026 0.000 0.764 250 F CA 1.030 59.051 58.000 0.035 0.000 1.142 250 F CB -1.015 38.008 39.000 0.038 0.000 2.130 250 F HN 0.602 nan 8.300 nan 0.000 0.625 251 G N 0.097 109.064 108.800 0.279 0.000 2.937 251 G HA2 -0.129 3.831 3.960 -0.000 0.000 0.160 251 G HA3 -0.129 3.831 3.960 -0.000 0.000 0.160 251 G C 0.789 175.754 174.900 0.108 0.000 1.863 251 G CA 0.468 45.653 45.100 0.141 0.000 0.941 251 G HN 0.618 nan 8.290 nan 0.000 0.419 252 N N -0.112 118.639 118.700 0.085 0.000 2.494 252 N HA 0.050 4.790 4.740 -0.000 0.000 0.182 252 N C 0.917 176.474 175.510 0.077 0.000 1.076 252 N CA -0.019 53.069 53.050 0.063 0.000 0.908 252 N CB -0.447 38.066 38.487 0.043 0.000 0.967 252 N HN 0.318 nan 8.380 nan 0.000 0.449 253 L N 1.043 122.338 121.223 0.120 0.000 2.559 253 L HA 0.100 4.440 4.340 -0.000 0.000 0.282 253 L C -1.885 175.060 176.870 0.124 0.000 1.232 253 L CA -1.257 53.670 54.840 0.144 0.000 0.885 253 L CB -0.211 41.997 42.059 0.249 0.000 1.131 253 L HN 0.051 nan 8.230 nan 0.000 0.498 254 P HA 0.101 nan 4.420 nan 0.000 0.276 254 P C -0.578 176.766 177.300 0.074 0.000 1.243 254 P CA -0.466 62.672 63.100 0.064 0.000 0.768 254 P CB 0.650 32.380 31.700 0.049 0.000 0.856 255 E N 3.319 123.539 120.200 0.033 0.000 2.414 255 E HA 0.189 4.539 4.350 -0.000 0.000 0.263 255 E C -1.005 175.602 176.600 0.012 0.000 1.000 255 E CA -0.058 56.360 56.400 0.031 0.000 0.914 255 E CB 0.196 29.890 29.700 -0.010 0.000 0.948 255 E HN 0.377 nan 8.360 nan 0.000 0.444 256 L N 4.014 125.277 121.223 0.068 0.000 2.409 256 L HA 0.503 4.843 4.340 -0.000 0.000 0.262 256 L C -0.916 176.007 176.870 0.089 0.000 0.992 256 L CA -1.041 53.792 54.840 -0.011 0.000 0.817 256 L CB 1.286 43.308 42.059 -0.062 0.000 1.350 256 L HN 0.527 nan 8.230 nan 0.000 0.411 257 F N 0.452 120.222 119.950 -0.300 0.000 2.483 257 F HA 0.604 5.131 4.527 -0.000 0.000 0.329 257 F C 0.308 175.916 175.800 -0.320 0.000 1.064 257 F CA -0.810 57.081 58.000 -0.183 0.000 0.986 257 F CB 1.446 40.430 39.000 -0.027 0.000 1.218 257 F HN 0.304 nan 8.300 nan 0.000 0.484 258 H N 1.998 121.308 119.070 0.399 0.000 2.895 258 H HA 0.642 5.198 4.556 -0.000 0.000 0.373 258 H C -1.145 174.276 175.328 0.156 0.000 1.174 258 H CA -0.692 55.505 56.048 0.248 0.000 1.144 258 H CB 3.190 33.038 29.762 0.144 0.000 1.793 258 H HN 0.599 nan 8.280 nan 0.000 0.551 259 I N 1.265 121.968 120.570 0.222 0.000 2.775 259 I HA 0.188 4.358 4.170 -0.000 0.000 0.295 259 I C -1.561 174.602 176.117 0.076 0.000 1.287 259 I CA -0.391 60.917 61.300 0.014 0.000 1.029 259 I CB 2.479 40.434 38.000 -0.075 0.000 1.282 259 I HN 0.493 nan 8.210 nan 0.000 0.426 260 Q N 7.522 127.345 119.800 0.040 0.000 2.337 260 Q HA 0.615 4.955 4.340 -0.000 0.000 0.270 260 Q C -1.424 174.643 176.000 0.113 0.000 1.043 260 Q CA -0.765 55.130 55.803 0.153 0.000 0.794 260 Q CB 3.258 32.065 28.738 0.115 0.000 1.281 260 Q HN 0.552 nan 8.270 nan 0.000 0.446 261 I N 1.218 121.891 120.570 0.171 0.000 2.447 261 I HA 0.670 4.840 4.170 -0.000 0.000 0.287 261 I C -0.024 176.159 176.117 0.111 0.000 1.023 261 I CA -0.639 60.696 61.300 0.059 0.000 1.083 261 I CB 2.130 40.138 38.000 0.013 0.000 1.245 261 I HN 0.696 nan 8.210 nan 0.000 0.434 262 G N 4.828 113.634 108.800 0.009 0.000 2.725 262 G HA2 0.808 4.768 3.960 -0.000 0.000 0.288 262 G HA3 0.808 4.768 3.960 -0.000 0.000 0.288 262 G C -1.722 173.009 174.900 -0.283 0.000 1.399 262 G CA -0.402 44.747 45.100 0.082 0.000 0.859 262 G HN 0.317 nan 8.290 nan 0.000 0.479 263 F N -0.826 119.241 119.950 0.196 0.000 2.629 263 F HA 0.474 5.001 4.527 -0.000 0.000 0.316 263 F C 0.334 175.995 175.800 -0.231 0.000 1.081 263 F CA -0.829 57.198 58.000 0.044 0.000 0.954 263 F CB 2.258 41.265 39.000 0.013 0.000 1.337 263 F HN 0.548 nan 8.300 nan 0.000 0.474 264 E N 0.853 120.657 120.200 -0.660 0.000 2.465 264 E HA 0.347 4.697 4.350 -0.000 0.000 0.260 264 E C 0.207 176.631 176.600 -0.293 0.000 0.980 264 E CA 0.183 56.068 56.400 -0.860 0.000 0.927 264 E CB 0.579 29.538 29.700 -1.234 0.000 0.934 264 E HN 0.761 nan 8.360 nan 0.000 0.459 265 G N 3.938 112.667 108.800 -0.119 0.000 2.773 265 G HA2 0.487 4.447 3.960 -0.000 0.000 0.186 265 G HA3 0.487 4.447 3.960 -0.000 0.000 0.186 265 G C -0.624 174.189 174.900 -0.145 0.000 1.411 265 G CA -0.678 44.369 45.100 -0.088 0.000 1.054 265 G HN 0.512 nan 8.290 nan 0.000 0.579 266 L N 0.260 121.394 121.223 -0.148 0.000 2.323 266 L HA 0.417 4.757 4.340 -0.000 0.000 0.265 266 L C -2.475 174.361 176.870 -0.056 0.000 1.012 266 L CA -1.976 52.748 54.840 -0.194 0.000 0.820 266 L CB 2.579 44.389 42.059 -0.416 0.000 1.334 266 L HN 0.211 nan 8.230 nan 0.000 0.427 267 P HA 0.030 nan 4.420 nan 0.000 0.271 267 P C 0.855 178.174 177.300 0.031 0.000 1.218 267 P CA -0.427 62.714 63.100 0.069 0.000 0.780 267 P CB 0.446 32.211 31.700 0.108 0.000 0.901 268 I N 1.125 121.705 120.570 0.018 0.000 2.700 268 I HA -0.168 4.002 4.170 -0.000 0.000 0.261 268 I C 0.351 176.437 176.117 -0.050 0.000 1.219 268 I CA 1.799 63.082 61.300 -0.028 0.000 1.463 268 I CB -1.623 36.376 38.000 -0.002 0.000 1.092 268 I HN 0.230 nan 8.210 nan 0.000 0.452 269 D N -1.020 119.367 120.400 -0.022 0.000 2.402 269 D HA -0.001 4.639 4.640 -0.000 0.000 0.216 269 D C 1.062 177.310 176.300 -0.086 0.000 1.128 269 D CA -0.315 53.623 54.000 -0.104 0.000 0.833 269 D CB -0.669 40.021 40.800 -0.182 0.000 0.971 269 D HN 0.393 nan 8.370 nan 0.000 0.503 270 H N 1.302 120.293 119.070 -0.131 0.000 2.732 270 H HA 0.095 4.651 4.556 -0.000 0.000 0.351 270 H C -1.557 173.690 175.328 -0.134 0.000 1.090 270 H CA -1.199 54.780 56.048 -0.114 0.000 1.431 270 H CB 1.616 31.315 29.762 -0.104 0.000 1.447 270 H HN -0.186 nan 8.280 nan 0.000 0.582 271 P HA -0.107 nan 4.420 nan 0.000 0.219 271 P C 0.347 177.708 177.300 0.102 0.000 1.146 271 P CA 1.228 64.294 63.100 -0.055 0.000 0.808 271 P CB 0.365 31.973 31.700 -0.153 0.000 0.779 272 D N -1.629 118.952 120.400 0.302 0.000 2.342 272 D HA 0.041 4.681 4.640 -0.000 0.000 0.221 272 D C 1.621 177.902 176.300 -0.032 0.000 1.101 272 D CA -0.181 53.882 54.000 0.104 0.000 0.837 272 D CB -0.192 40.632 40.800 0.039 0.000 0.938 272 D HN 0.036 nan 8.370 nan 0.000 0.508 273 I N 0.658 121.178 120.570 -0.084 0.000 2.208 273 I HA -0.290 3.880 4.170 -0.000 0.000 0.245 273 I C 1.566 177.539 176.117 -0.240 0.000 1.097 273 I CA 1.443 62.603 61.300 -0.235 0.000 1.363 273 I CB -0.508 37.282 38.000 -0.349 0.000 1.051 273 I HN 0.015 nan 8.210 nan 0.000 0.413 274 Y N 0.789 121.082 120.300 -0.013 0.000 2.200 274 Y HA -0.110 4.440 4.550 -0.000 0.000 0.290 274 Y C 2.593 178.476 175.900 -0.028 0.000 1.137 274 Y CA 1.296 59.387 58.100 -0.015 0.000 1.163 274 Y CB -1.222 37.231 38.460 -0.012 0.000 0.988 274 Y HN 0.184 nan 8.280 nan 0.000 0.518 275 A N -0.068 122.811 122.820 0.097 0.000 1.883 275 A HA -0.197 4.123 4.320 -0.000 0.000 0.217 275 A C 2.213 179.767 177.584 -0.050 0.000 1.186 275 A CA 1.753 53.799 52.037 0.014 0.000 0.624 275 A CB -1.125 17.858 19.000 -0.027 0.000 0.822 275 A HN 0.406 nan 8.150 nan 0.000 0.444 276 L N -0.377 120.773 121.223 -0.121 0.000 2.083 276 L HA -0.064 4.276 4.340 -0.000 0.000 0.209 276 L C 2.618 179.467 176.870 -0.036 0.000 1.083 276 L CA 2.109 56.820 54.840 -0.215 0.000 0.752 276 L CB -0.663 41.212 42.059 -0.306 0.000 0.899 276 L HN 0.349 nan 8.230 nan 0.000 0.433 277 A N -2.046 120.786 122.820 0.019 0.000 1.968 277 A HA -0.118 4.202 4.320 -0.000 0.000 0.217 277 A C 2.219 179.859 177.584 0.093 0.000 1.169 277 A CA 1.815 53.901 52.037 0.081 0.000 0.638 277 A CB -0.949 18.094 19.000 0.072 0.000 0.812 277 A HN 0.471 nan 8.150 nan 0.000 0.446 278 T N 0.344 114.943 114.554 0.076 0.000 2.708 278 T HA -0.143 4.207 4.350 -0.000 0.000 0.266 278 T C 1.838 176.582 174.700 0.074 0.000 1.037 278 T CA 1.534 63.675 62.100 0.069 0.000 1.146 278 T CB -0.391 68.509 68.868 0.053 0.000 0.865 278 T HN 0.331 nan 8.240 nan 0.000 0.435 279 L N 1.406 122.666 121.223 0.061 0.000 2.042 279 L HA -0.097 4.243 4.340 -0.000 0.000 0.210 279 L C 2.504 179.500 176.870 0.210 0.000 1.076 279 L CA 1.786 56.683 54.840 0.096 0.000 0.749 279 L CB -0.818 41.236 42.059 -0.008 0.000 0.893 279 L HN 0.138 nan 8.230 nan 0.000 0.432 280 Q N -0.774 119.187 119.800 0.268 0.000 2.050 280 Q HA -0.186 4.154 4.340 -0.000 0.000 0.202 280 Q C 2.016 178.078 176.000 0.103 0.000 0.980 280 Q CA 2.516 58.450 55.803 0.219 0.000 0.840 280 Q CB -0.290 28.565 28.738 0.195 0.000 0.898 280 Q HN 0.607 nan 8.270 nan 0.000 0.424 281 T N 1.984 116.595 114.554 0.095 0.000 2.821 281 T HA -0.103 4.247 4.350 -0.000 0.000 0.267 281 T C 1.930 176.676 174.700 0.077 0.000 1.046 281 T CA 1.029 63.174 62.100 0.075 0.000 1.139 281 T CB -0.260 68.650 68.868 0.070 0.000 0.871 281 T HN 0.269 nan 8.240 nan 0.000 0.454 282 L N 0.374 121.645 121.223 0.080 0.000 2.046 282 L HA -0.036 4.303 4.340 -0.000 0.000 0.208 282 L C 2.205 179.113 176.870 0.064 0.000 1.077 282 L CA 1.331 56.213 54.840 0.071 0.000 0.747 282 L CB -0.246 41.854 42.059 0.068 0.000 0.896 282 L HN 0.254 nan 8.230 nan 0.000 0.432 283 L N -0.865 120.402 121.223 0.072 0.000 2.027 283 L HA -0.002 4.338 4.340 -0.000 0.000 0.206 283 L C 1.900 178.791 176.870 0.035 0.000 1.074 283 L CA 0.860 55.727 54.840 0.043 0.000 0.745 283 L CB -1.118 40.976 42.059 0.058 0.000 0.898 283 L HN 0.563 nan 8.230 nan 0.000 0.433 284 G N -0.445 108.382 108.800 0.046 0.000 2.660 284 G HA2 -0.103 3.857 3.960 -0.000 0.000 0.321 284 G HA3 -0.103 3.857 3.960 -0.000 0.000 0.321 284 G C 0.551 175.466 174.900 0.026 0.000 1.246 284 G CA 0.239 45.377 45.100 0.063 0.000 1.000 284 G HN 1.148 nan 8.290 nan 0.000 0.550 285 G N -2.717 106.107 108.800 0.040 0.000 2.498 285 G HA2 0.616 4.576 3.960 -0.000 0.000 0.651 285 G HA3 0.616 4.576 3.960 -0.000 0.000 0.651 285 G C 0.651 175.439 174.900 -0.188 0.000 1.284 285 G CA 0.564 45.571 45.100 -0.155 0.000 0.950 285 G HN 3.016 nan 8.290 nan 0.000 0.511 286 G N -1.975 106.638 108.800 -0.311 0.000 2.335 286 G HA2 0.840 4.800 3.960 -0.000 0.000 0.291 286 G HA3 0.840 4.800 3.960 -0.000 0.000 0.291 286 G C 0.124 174.941 174.900 -0.138 0.000 1.261 286 G CA 0.833 45.841 45.100 -0.154 0.000 0.871 286 G HN 2.180 nan 8.290 nan 0.000 0.491 298 M N -1.868 117.474 119.600 -0.430 0.000 2.630 298 M HA 0.308 4.787 4.480 -0.000 0.000 0.254 298 M C 0.669 176.602 176.300 -0.612 0.000 1.092 298 M CA 0.952 55.676 55.300 -0.961 0.000 1.087 298 M CB -0.344 31.693 32.600 -0.939 0.000 1.453 298 M HN 0.112 nan 8.290 nan 0.000 0.509 299 Y N 1.775 122.015 120.300 -0.099 0.000 2.658 299 Y HA 0.334 4.884 4.550 -0.000 0.000 0.276 299 Y C 0.911 176.840 175.900 0.048 0.000 1.167 299 Y CA -0.842 57.254 58.100 -0.006 0.000 1.230 299 Y CB -0.192 38.261 38.460 -0.012 0.000 1.144 299 Y HN 0.298 nan 8.280 nan 0.000 0.529 300 S N -1.141 114.670 115.700 0.185 0.000 2.616 300 S HA 0.342 4.812 4.470 -0.000 0.000 0.277 300 S C 1.249 175.923 174.600 0.124 0.000 1.234 300 S CA -0.902 57.393 58.200 0.157 0.000 1.028 300 S CB 1.743 65.045 63.200 0.171 0.000 0.988 300 S HN 0.368 nan 8.310 nan 0.000 0.522 301 R N 0.353 120.855 120.500 0.005 0.000 2.096 301 R HA -0.087 4.253 4.340 -0.000 0.000 0.240 301 R C 1.918 178.161 176.300 -0.094 0.000 1.139 301 R CA 1.755 57.742 56.100 -0.188 0.000 0.952 301 R CB -0.945 29.162 30.300 -0.322 0.000 0.854 301 R HN 0.677 nan 8.270 nan 0.000 0.436 302 L N -0.684 120.522 121.223 -0.028 0.000 2.191 302 L HA -0.215 4.125 4.340 -0.000 0.000 0.212 302 L C 2.176 179.031 176.870 -0.025 0.000 1.103 302 L CA 1.165 55.988 54.840 -0.029 0.000 0.769 302 L CB -0.435 41.586 42.059 -0.065 0.000 0.908 302 L HN 0.187 nan 8.230 nan 0.000 0.438 303 Y N 0.427 120.734 120.300 0.012 0.000 2.153 303 Y HA -0.197 4.353 4.550 -0.000 0.000 0.289 303 Y C 2.857 178.775 175.900 0.030 0.000 1.127 303 Y CA 1.879 59.982 58.100 0.006 0.000 1.131 303 Y CB -0.538 37.906 38.460 -0.027 0.000 0.995 303 Y HN 0.047 nan 8.280 nan 0.000 0.505 304 T N -1.085 113.635 114.554 0.276 0.000 2.674 304 T HA -0.182 4.168 4.350 -0.000 0.000 0.265 304 T C 1.331 176.207 174.700 0.293 0.000 1.039 304 T CA 2.026 64.290 62.100 0.273 0.000 1.150 304 T CB -0.398 68.685 68.868 0.358 0.000 0.864 304 T HN 0.330 nan 8.240 nan 0.000 0.427 305 H N -0.402 118.694 119.070 0.044 0.000 2.548 305 H HA 0.306 4.862 4.556 -0.000 0.000 0.268 305 H C 1.749 177.106 175.328 0.048 0.000 0.975 305 H CA 0.103 56.169 56.048 0.031 0.000 1.195 305 H CB -0.038 29.758 29.762 0.057 0.000 1.397 305 H HN 0.217 nan 8.280 nan 0.000 0.572 306 V N -0.918 119.097 119.914 0.168 0.000 3.278 306 V HA -0.028 4.092 4.120 -0.000 0.000 0.215 306 V C 1.982 178.113 176.094 0.061 0.000 1.287 306 V CA 0.007 62.414 62.300 0.177 0.000 1.302 306 V CB -0.138 31.754 31.823 0.115 0.000 1.228 306 V HN 0.110 nan 8.190 nan 0.000 0.523 307 L N 1.480 122.686 121.223 -0.029 0.000 2.042 307 L HA -0.129 4.211 4.340 -0.000 0.000 0.210 307 L C 2.164 179.008 176.870 -0.044 0.000 1.076 307 L CA 1.993 56.789 54.840 -0.073 0.000 0.749 307 L CB -1.633 40.309 42.059 -0.194 0.000 0.893 307 L HN 0.433 nan 8.230 nan 0.000 0.432 308 N N -0.793 117.899 118.700 -0.012 0.000 2.331 308 N HA -0.119 4.621 4.740 -0.000 0.000 0.180 308 N C 1.794 177.189 175.510 -0.191 0.000 1.019 308 N CA 0.599 53.623 53.050 -0.044 0.000 0.881 308 N CB 0.039 38.527 38.487 0.002 0.000 0.972 308 N HN 0.393 nan 8.380 nan 0.000 0.435 309 Q N -0.441 119.163 119.800 -0.326 0.000 2.204 309 Q HA 0.087 4.427 4.340 -0.000 0.000 0.198 309 Q C -0.172 175.252 176.000 -0.961 0.000 0.946 309 Q CA 0.794 56.199 55.803 -0.664 0.000 0.859 309 Q CB 0.167 28.363 28.738 -0.904 0.000 0.946 309 Q HN 0.421 nan 8.270 nan 0.000 0.474 310 Y N -0.074 119.909 120.300 -0.529 0.000 2.361 310 Y HA 0.221 4.771 4.550 -0.000 0.000 0.337 310 Y C 0.184 175.571 175.900 -0.856 0.000 0.965 310 Y CA -1.178 56.315 58.100 -1.012 0.000 1.091 310 Y CB 0.815 38.409 38.460 -1.443 0.000 1.182 310 Y HN 0.031 nan 8.280 nan 0.000 0.450 311 Y N -0.528 119.562 120.300 -0.351 0.000 2.507 311 Y HA 0.206 4.756 4.550 -0.000 0.000 0.254 311 Y C 0.773 176.611 175.900 -0.103 0.000 1.171 311 Y CA -0.955 57.039 58.100 -0.176 0.000 1.238 311 Y CB -0.285 38.136 38.460 -0.064 0.000 1.148 311 Y HN 0.514 nan 8.280 nan 0.000 0.525 312 F N -0.579 119.617 119.950 0.410 0.000 2.802 312 F HA 0.323 4.850 4.527 -0.000 0.000 0.300 312 F C -0.102 175.766 175.800 0.114 0.000 1.168 312 F CA -1.062 57.078 58.000 0.234 0.000 1.433 312 F CB -0.943 38.147 39.000 0.150 0.000 1.115 312 F HN -0.165 nan 8.300 nan 0.000 0.582 313 V N 2.538 122.437 119.914 -0.025 0.000 2.333 313 V HA 0.182 4.302 4.120 -0.000 0.000 0.274 313 V C 0.886 177.002 176.094 0.036 0.000 1.028 313 V CA -0.386 61.924 62.300 0.016 0.000 0.851 313 V CB 1.122 32.887 31.823 -0.097 0.000 1.000 313 V HN 0.336 nan 8.190 nan 0.000 0.456 314 E N 4.422 124.664 120.200 0.070 0.000 2.400 314 E HA 0.044 4.394 4.350 -0.000 0.000 0.195 314 E C 0.481 177.109 176.600 0.046 0.000 1.012 314 E CA 0.477 56.916 56.400 0.065 0.000 0.875 314 E CB 0.313 30.063 29.700 0.083 0.000 0.859 314 E HN 0.696 nan 8.360 nan 0.000 0.498 315 N N -1.122 117.606 118.700 0.046 0.000 2.446 315 N HA 0.353 5.093 4.740 -0.000 0.000 0.272 315 N C -2.377 173.142 175.510 0.014 0.000 1.127 315 N CA -0.695 52.370 53.050 0.026 0.000 0.896 315 N CB 2.169 40.702 38.487 0.076 0.000 1.658 315 N HN 0.175 nan 8.380 nan 0.000 0.483 316 C N 3.655 122.929 119.300 -0.044 0.000 2.817 316 C HA 0.790 5.250 4.460 -0.000 0.000 0.385 316 C C -1.672 173.278 174.990 -0.067 0.000 1.050 316 C CA -0.292 58.706 59.018 -0.034 0.000 1.245 316 C CB -0.188 27.522 27.740 -0.050 0.000 1.706 316 C HN 0.636 nan 8.230 nan 0.000 0.488 317 V N 5.397 125.299 119.914 -0.021 0.000 3.087 317 V HA 0.920 5.040 4.120 -0.000 0.000 0.306 317 V C -0.007 176.055 176.094 -0.054 0.000 1.187 317 V CA 0.266 62.547 62.300 -0.032 0.000 0.999 317 V CB 2.273 34.096 31.823 -0.000 0.000 1.049 317 V HN 1.421 nan 8.190 nan 0.000 0.431 318 A N 4.541 127.295 122.820 -0.109 0.000 2.310 318 A HA 0.887 5.207 4.320 -0.000 0.000 0.299 318 A C -0.820 176.601 177.584 -0.272 0.000 1.147 318 A CA -0.253 51.615 52.037 -0.281 0.000 0.818 318 A CB 0.465 19.319 19.000 -0.243 0.000 1.096 318 A HN 1.386 nan 8.150 nan 0.000 0.495 319 F N -0.025 119.687 119.950 -0.397 0.000 2.577 319 F HA 0.692 5.219 4.527 -0.000 0.000 0.318 319 F C -0.482 174.924 175.800 -0.656 0.000 1.065 319 F CA -1.613 56.117 58.000 -0.449 0.000 0.929 319 F CB 1.782 40.556 39.000 -0.377 0.000 1.237 319 F HN 0.526 nan 8.300 nan 0.000 0.468 320 N N 1.143 119.701 118.700 -0.237 0.000 2.640 320 N HA 0.159 4.899 4.740 -0.000 0.000 0.262 320 N C -1.741 173.691 175.510 -0.130 0.000 1.174 320 N CA -0.524 52.455 53.050 -0.118 0.000 0.791 320 N CB 0.407 38.915 38.487 0.035 0.000 1.279 320 N HN 0.697 nan 8.380 nan 0.000 0.535 321 H N 1.210 120.349 119.070 0.115 0.000 2.604 321 H HA 0.208 4.764 4.556 -0.000 0.000 0.306 321 H C -0.560 174.649 175.328 -0.198 0.000 1.075 321 H CA -0.014 55.999 56.048 -0.058 0.000 1.357 321 H CB 1.745 31.567 29.762 0.100 0.000 1.426 321 H HN 0.264 nan 8.280 nan 0.000 0.470 322 S N 3.986 119.474 115.700 -0.352 0.000 2.532 322 S HA 0.546 5.016 4.470 -0.000 0.000 0.299 322 S C -1.243 173.014 174.600 -0.573 0.000 1.105 322 S CA -0.500 57.517 58.200 -0.304 0.000 1.018 322 S CB 0.483 63.602 63.200 -0.134 0.000 1.021 322 S HN 0.424 nan 8.310 nan 0.000 0.483 323 Y N 0.998 121.352 120.300 0.090 0.000 2.833 323 Y HA 0.372 4.922 4.550 -0.000 0.000 0.319 323 Y C 1.978 177.911 175.900 0.054 0.000 1.254 323 Y CA -0.371 57.765 58.100 0.059 0.000 1.138 323 Y CB 0.401 38.877 38.460 0.026 0.000 1.352 323 Y HN 0.655 nan 8.280 nan 0.000 0.546 324 S N -0.141 115.705 115.700 0.243 0.000 2.383 324 S HA -0.196 4.274 4.470 -0.000 0.000 0.229 324 S C 0.643 175.326 174.600 0.139 0.000 1.030 324 S CA 2.048 60.346 58.200 0.164 0.000 1.002 324 S CB -0.427 62.861 63.200 0.146 0.000 0.829 324 S HN 0.813 nan 8.310 nan 0.000 0.467 325 D N -0.702 119.783 120.400 0.141 0.000 2.556 325 D HA 0.444 5.084 4.640 -0.000 0.000 0.237 325 D C 0.182 176.567 176.300 0.142 0.000 1.296 325 D CA 0.044 54.115 54.000 0.118 0.000 0.807 325 D CB 0.289 41.141 40.800 0.087 0.000 1.084 325 D HN 0.352 nan 8.370 nan 0.000 0.510 326 S N -1.859 113.956 115.700 0.192 0.000 2.663 326 S HA 0.644 5.114 4.470 -0.000 0.000 0.264 326 S C -1.422 173.366 174.600 0.314 0.000 1.112 326 S CA -0.195 58.145 58.200 0.233 0.000 0.823 326 S CB 0.966 64.359 63.200 0.321 0.000 1.111 326 S HN 0.617 nan 8.310 nan 0.000 0.476 327 G N 0.301 109.285 108.800 0.307 0.000 2.608 327 G HA2 0.643 4.603 3.960 -0.000 0.000 0.291 327 G HA3 0.643 4.603 3.960 -0.000 0.000 0.291 327 G C -2.102 172.972 174.900 0.291 0.000 1.425 327 G CA -0.562 44.729 45.100 0.318 0.000 0.787 327 G HN 0.798 nan 8.290 nan 0.000 0.484 328 I N 0.223 120.992 120.570 0.332 0.000 2.466 328 I HA 0.512 4.682 4.170 -0.000 0.000 0.289 328 I C -1.447 174.932 176.117 0.437 0.000 1.026 328 I CA -0.646 60.848 61.300 0.323 0.000 1.078 328 I CB 2.245 40.410 38.000 0.276 0.000 1.249 328 I HN 0.397 nan 8.210 nan 0.000 0.429 329 F N 4.920 124.984 119.950 0.189 0.000 2.529 329 F HA 0.871 5.398 4.527 -0.000 0.000 0.320 329 F C 0.116 175.863 175.800 -0.089 0.000 1.118 329 F CA -0.054 57.970 58.000 0.040 0.000 0.915 329 F CB 1.839 40.761 39.000 -0.130 0.000 1.161 329 F HN 0.547 nan 8.300 nan 0.000 0.445 330 G N 4.957 113.051 108.800 -1.176 0.000 2.428 330 G HA2 0.426 4.386 3.960 -0.000 0.000 0.305 330 G HA3 0.426 4.386 3.960 -0.000 0.000 0.305 330 G C -2.059 171.967 174.900 -1.456 0.000 1.260 330 G CA -0.800 43.728 45.100 -0.953 0.000 0.853 330 G HN 0.642 nan 8.290 nan 0.000 0.480 331 I N 0.718 120.862 120.570 -0.710 0.000 2.608 331 I HA 0.579 4.749 4.170 -0.000 0.000 0.295 331 I C -0.050 176.079 176.117 0.021 0.000 1.049 331 I CA -0.838 60.250 61.300 -0.354 0.000 1.063 331 I CB 2.245 40.160 38.000 -0.140 0.000 1.248 331 I HN 0.470 nan 8.210 nan 0.000 0.424 332 S N 6.269 122.061 115.700 0.153 0.000 2.549 332 S HA 0.771 5.240 4.470 -0.000 0.000 0.297 332 S C -1.183 173.498 174.600 0.135 0.000 1.115 332 S CA -0.530 57.813 58.200 0.238 0.000 1.059 332 S CB 1.365 64.735 63.200 0.283 0.000 1.046 332 S HN 0.479 nan 8.310 nan 0.000 0.506 333 L N 3.173 124.488 121.223 0.154 0.000 2.482 333 L HA 0.645 4.985 4.340 -0.000 0.000 0.263 333 L C -1.369 175.625 176.870 0.206 0.000 0.957 333 L CA -0.109 54.816 54.840 0.142 0.000 0.836 333 L CB 1.741 43.870 42.059 0.118 0.000 1.324 333 L HN 0.737 nan 8.230 nan 0.000 0.406 334 S N 3.618 119.432 115.700 0.189 0.000 2.502 334 S HA 0.862 5.332 4.470 -0.000 0.000 0.304 334 S C -0.379 174.297 174.600 0.126 0.000 1.097 334 S CA -0.473 57.844 58.200 0.196 0.000 1.045 334 S CB 1.375 64.745 63.200 0.284 0.000 1.019 334 S HN 0.913 nan 8.310 nan 0.000 0.481 335 C N 1.774 121.131 119.300 0.095 0.000 3.344 335 C HA 0.702 5.162 4.460 -0.000 0.000 0.344 335 C C -0.924 174.072 174.990 0.009 0.000 1.505 335 C CA -1.115 57.968 59.018 0.108 0.000 1.304 335 C CB -0.207 27.644 27.740 0.185 0.000 1.782 335 C HN 0.609 nan 8.230 nan 0.000 0.444 336 I N 2.268 122.845 120.570 0.012 0.000 2.575 336 I HA 0.268 4.438 4.170 -0.000 0.000 0.285 336 I C -1.145 174.758 176.117 -0.357 0.000 1.085 336 I CA -2.243 58.984 61.300 -0.122 0.000 1.403 336 I CB 0.431 38.414 38.000 -0.029 0.000 1.409 336 I HN 0.534 nan 8.210 nan 0.000 0.557 337 P HA -0.235 nan 4.420 nan 0.000 0.218 337 P C 1.248 178.136 177.300 -0.688 0.000 1.154 337 P CA 1.578 63.957 63.100 -1.202 0.000 0.872 337 P CB 0.256 31.302 31.700 -1.091 0.000 0.790 338 Q N -1.081 118.466 119.800 -0.420 0.000 2.170 338 Q HA -0.072 4.268 4.340 -0.000 0.000 0.203 338 Q C 2.106 177.903 176.000 -0.338 0.000 0.976 338 Q CA 1.874 57.491 55.803 -0.309 0.000 0.858 338 Q CB -1.204 27.404 28.738 -0.216 0.000 0.907 338 Q HN 0.243 nan 8.270 nan 0.000 0.433 339 A N -0.200 122.398 122.820 -0.370 0.000 2.178 339 A HA 0.319 4.639 4.320 -0.000 0.000 0.211 339 A C 2.111 179.495 177.584 -0.333 0.000 1.157 339 A CA 0.757 52.510 52.037 -0.473 0.000 0.780 339 A CB -0.480 18.157 19.000 -0.605 0.000 0.828 339 A HN 0.302 nan 8.150 nan 0.000 0.476 340 A N 1.414 124.035 122.820 -0.331 0.000 1.954 340 A HA -0.186 4.134 4.320 -0.000 0.000 0.222 340 A C 0.131 177.545 177.584 -0.282 0.000 1.199 340 A CA 2.320 54.127 52.037 -0.383 0.000 0.657 340 A CB -1.816 16.801 19.000 -0.638 0.000 0.823 340 A HN 0.448 nan 8.150 nan 0.000 0.463 341 P HA -0.161 nan 4.420 nan 0.000 0.220 341 P C 1.222 178.470 177.300 -0.087 0.000 1.144 341 P CA 1.546 64.563 63.100 -0.139 0.000 0.800 341 P CB -0.055 31.560 31.700 -0.141 0.000 0.772 342 Q N -1.866 117.853 119.800 -0.134 0.000 2.396 342 Q HA 0.194 4.534 4.340 -0.000 0.000 0.209 342 Q C 2.079 178.053 176.000 -0.044 0.000 0.906 342 Q CA 0.371 56.110 55.803 -0.107 0.000 0.927 342 Q CB -0.288 28.327 28.738 -0.205 0.000 1.069 342 Q HN 0.113 nan 8.270 nan 0.000 0.523 343 A N 0.939 123.769 122.820 0.017 0.000 1.869 343 A HA -0.239 4.081 4.320 -0.000 0.000 0.218 343 A C 2.261 179.890 177.584 0.076 0.000 1.203 343 A CA 2.012 54.108 52.037 0.098 0.000 0.638 343 A CB -1.117 18.039 19.000 0.259 0.000 0.831 343 A HN 0.205 nan 8.150 nan 0.000 0.450 344 V N -0.054 119.932 119.914 0.119 0.000 2.250 344 V HA -0.356 3.763 4.120 -0.000 0.000 0.250 344 V C 2.589 178.666 176.094 -0.029 0.000 1.060 344 V CA 2.731 65.067 62.300 0.060 0.000 1.030 344 V CB -0.893 30.981 31.823 0.085 0.000 0.643 344 V HN 0.811 nan 8.190 nan 0.000 0.445 345 E N -0.128 120.051 120.200 -0.035 0.000 2.058 345 E HA -0.202 4.148 4.350 -0.000 0.000 0.194 345 E C 2.141 178.632 176.600 -0.182 0.000 0.997 345 E CA 1.806 58.139 56.400 -0.112 0.000 0.801 345 E CB -0.137 29.555 29.700 -0.014 0.000 0.746 345 E HN 0.386 nan 8.360 nan 0.000 0.450 346 V N 1.318 121.161 119.914 -0.118 0.000 2.250 346 V HA -0.346 3.774 4.120 -0.000 0.000 0.250 346 V C 2.406 178.433 176.094 -0.112 0.000 1.060 346 V CA 2.204 64.433 62.300 -0.119 0.000 1.030 346 V CB -0.556 31.176 31.823 -0.151 0.000 0.643 346 V HN 0.374 nan 8.190 nan 0.000 0.445 347 I N 0.284 120.797 120.570 -0.096 0.000 2.127 347 I HA -0.289 3.881 4.170 -0.000 0.000 0.241 347 I C 2.737 178.754 176.117 -0.166 0.000 1.075 347 I CA 1.686 62.932 61.300 -0.090 0.000 1.334 347 I CB -0.761 37.215 38.000 -0.040 0.000 1.040 347 I HN 0.324 nan 8.210 nan 0.000 0.405 348 A N 0.163 122.832 122.820 -0.251 0.000 1.917 348 A HA -0.308 4.012 4.320 -0.000 0.000 0.219 348 A C 2.264 179.533 177.584 -0.525 0.000 1.182 348 A CA 1.940 53.728 52.037 -0.415 0.000 0.633 348 A CB -0.770 17.832 19.000 -0.663 0.000 0.819 348 A HN 0.514 nan 8.150 nan 0.000 0.448 349 Q N -1.129 118.344 119.800 -0.545 0.000 2.061 349 Q HA -0.228 4.112 4.340 -0.000 0.000 0.204 349 Q C 2.407 178.387 176.000 -0.034 0.000 0.984 349 Q CA 1.593 57.244 55.803 -0.253 0.000 0.846 349 Q CB -0.219 28.460 28.738 -0.098 0.000 0.902 349 Q HN 0.660 nan 8.270 nan 0.000 0.421 350 Q N 0.111 119.875 119.800 -0.059 0.000 2.096 350 Q HA -0.156 4.184 4.340 -0.000 0.000 0.204 350 Q C 2.017 177.962 176.000 -0.091 0.000 0.982 350 Q CA 1.519 57.305 55.803 -0.029 0.000 0.850 350 Q CB -0.379 28.334 28.738 -0.041 0.000 0.901 350 Q HN 0.496 nan 8.270 nan 0.000 0.422 351 M N -0.843 118.610 119.600 -0.245 0.000 2.086 351 M HA -0.196 4.284 4.480 -0.000 0.000 0.261 351 M C 2.143 178.311 176.300 -0.219 0.000 1.067 351 M CA 1.565 56.497 55.300 -0.613 0.000 1.116 351 M CB -0.538 31.476 32.600 -0.976 0.000 1.348 351 M HN 0.137 nan 8.290 nan 0.000 0.407 352 Y N 1.822 122.007 120.300 -0.193 0.000 2.128 352 Y HA -0.273 4.277 4.550 -0.000 0.000 0.284 352 Y C 1.951 177.718 175.900 -0.223 0.000 1.154 352 Y CA 1.791 59.783 58.100 -0.179 0.000 1.149 352 Y CB -0.357 38.099 38.460 -0.008 0.000 0.976 352 Y HN 0.264 nan 8.280 nan 0.000 0.505 353 N N -0.305 118.440 118.700 0.074 0.000 2.635 353 N HA -0.110 4.630 4.740 -0.000 0.000 0.191 353 N C 1.528 177.044 175.510 0.010 0.000 1.155 353 N CA 1.416 54.493 53.050 0.045 0.000 0.927 353 N CB -0.595 37.979 38.487 0.145 0.000 0.976 353 N HN 0.642 nan 8.380 nan 0.000 0.448 354 T N -3.119 111.477 114.554 0.071 0.000 3.065 354 T HA 0.060 4.410 4.350 -0.000 0.000 0.252 354 T C 1.196 176.050 174.700 0.256 0.000 1.099 354 T CA 0.239 62.451 62.100 0.187 0.000 1.063 354 T CB -0.169 68.885 68.868 0.310 0.000 0.948 354 T HN 0.293 nan 8.240 nan 0.000 0.506 355 F N -0.643 119.257 119.950 -0.083 0.000 2.743 355 F HA 0.731 5.258 4.527 -0.000 0.000 0.356 355 F C 1.558 177.237 175.800 -0.201 0.000 0.845 355 F CA -0.348 57.590 58.000 -0.103 0.000 1.058 355 F CB -0.109 38.855 39.000 -0.061 0.000 0.952 355 F HN 0.093 nan 8.300 nan 0.000 0.620 356 A N 0.492 122.398 122.820 -1.524 0.000 2.307 356 A HA 0.270 4.590 4.320 -0.000 0.000 0.218 356 A C 0.419 177.460 177.584 -0.906 0.000 1.228 356 A CA 0.183 51.415 52.037 -1.341 0.000 0.857 356 A CB -0.717 17.088 19.000 -1.993 0.000 0.897 356 A HN 0.323 nan 8.150 nan 0.000 0.495 357 N N 1.077 119.449 118.700 -0.547 0.000 2.621 357 N HA 0.096 4.836 4.740 -0.000 0.000 0.237 357 N C 0.864 176.331 175.510 -0.072 0.000 0.997 357 N CA -0.171 52.795 53.050 -0.141 0.000 0.918 357 N CB 0.871 39.381 38.487 0.038 0.000 1.122 357 N HN 0.458 nan 8.380 nan 0.000 0.510 358 K N 1.425 121.796 120.400 -0.049 0.000 2.218 358 K HA -0.129 4.191 4.320 -0.000 0.000 0.205 358 K C -0.097 176.504 176.600 0.002 0.000 1.046 358 K CA 1.276 57.549 56.287 -0.022 0.000 0.933 358 K CB 0.244 32.737 32.500 -0.012 0.000 0.728 358 K HN 0.305 nan 8.250 nan 0.000 0.454 359 D N 0.375 120.785 120.400 0.017 0.000 2.339 359 D HA 0.089 4.729 4.640 -0.000 0.000 0.217 359 D C 0.853 177.177 176.300 0.040 0.000 1.050 359 D CA 0.472 54.489 54.000 0.027 0.000 0.856 359 D CB 0.435 41.253 40.800 0.031 0.000 0.922 359 D HN 0.226 nan 8.370 nan 0.000 0.518 360 L N 0.717 121.967 121.223 0.045 0.000 3.347 360 L HA 0.218 4.558 4.340 -0.000 0.000 0.306 360 L C 0.276 177.178 176.870 0.053 0.000 1.301 360 L CA -0.497 54.386 54.840 0.072 0.000 0.985 360 L CB 0.830 42.956 42.059 0.113 0.000 1.400 360 L HN -0.290 nan 8.230 nan 0.000 0.601 361 R N 0.811 121.329 120.500 0.030 0.000 2.817 361 R HA 0.113 4.453 4.340 -0.000 0.000 0.264 361 R C -0.214 176.111 176.300 0.041 0.000 1.009 361 R CA 0.338 56.453 56.100 0.025 0.000 1.133 361 R CB 0.245 30.555 30.300 0.017 0.000 1.013 361 R HN 0.157 nan 8.270 nan 0.000 0.453 362 L N 2.885 124.134 121.223 0.043 0.000 2.477 362 L HA 0.120 4.460 4.340 -0.000 0.000 0.272 362 L C 0.841 177.732 176.870 0.035 0.000 1.157 362 L CA -0.065 54.802 54.840 0.044 0.000 0.889 362 L CB 0.317 42.404 42.059 0.047 0.000 1.158 362 L HN 0.766 nan 8.230 nan 0.000 0.473 363 T N -1.055 113.521 114.554 0.037 0.000 2.882 363 T HA 0.134 4.484 4.350 -0.000 0.000 0.287 363 T C 1.080 175.792 174.700 0.021 0.000 1.014 363 T CA -0.832 61.285 62.100 0.028 0.000 1.049 363 T CB 1.467 70.354 68.868 0.031 0.000 1.001 363 T HN 0.543 nan 8.240 nan 0.000 0.525 364 E N 1.314 121.522 120.200 0.014 0.000 2.097 364 E HA -0.168 4.182 4.350 -0.000 0.000 0.196 364 E C 1.714 178.317 176.600 0.005 0.000 1.000 364 E CA 1.621 58.025 56.400 0.008 0.000 0.804 364 E CB -0.210 29.491 29.700 0.003 0.000 0.740 364 E HN 0.724 nan 8.360 nan 0.000 0.454 365 D N 0.737 121.139 120.400 0.004 0.000 2.084 365 D HA -0.150 4.490 4.640 -0.000 0.000 0.194 365 D C 1.906 178.208 176.300 0.004 0.000 0.990 365 D CA 0.936 54.933 54.000 -0.004 0.000 0.826 365 D CB -0.161 40.633 40.800 -0.011 0.000 0.971 365 D HN 0.337 nan 8.370 nan 0.000 0.453 366 E N 0.468 120.679 120.200 0.018 0.000 2.038 366 E HA -0.143 4.207 4.350 -0.000 0.000 0.195 366 E C 2.387 179.004 176.600 0.029 0.000 1.000 366 E CA 0.794 57.213 56.400 0.031 0.000 0.803 366 E CB -0.023 29.701 29.700 0.040 0.000 0.750 366 E HN 0.055 nan 8.360 nan 0.000 0.448 367 V N 0.786 120.715 119.914 0.024 0.000 2.343 367 V HA -0.258 3.862 4.120 -0.000 0.000 0.247 367 V C 2.448 178.552 176.094 0.016 0.000 1.051 367 V CA 1.916 64.229 62.300 0.022 0.000 1.036 367 V CB -0.411 31.423 31.823 0.018 0.000 0.654 367 V HN 0.260 nan 8.190 nan 0.000 0.451 368 S N -0.518 115.187 115.700 0.009 0.000 2.368 368 S HA -0.253 4.217 4.470 -0.000 0.000 0.225 368 S C 2.224 176.827 174.600 0.005 0.000 1.030 368 S CA 2.006 60.208 58.200 0.003 0.000 0.999 368 S CB -0.311 62.886 63.200 -0.005 0.000 0.844 368 S HN 0.575 nan 8.310 nan 0.000 0.459 369 R N 0.492 120.996 120.500 0.006 0.000 2.073 369 R HA -0.019 4.321 4.340 -0.000 0.000 0.234 369 R C 2.372 178.688 176.300 0.026 0.000 1.134 369 R CA 1.438 57.545 56.100 0.011 0.000 0.952 369 R CB -0.730 29.576 30.300 0.010 0.000 0.850 369 R HN 0.427 nan 8.270 nan 0.000 0.433 370 A N 1.357 124.197 122.820 0.034 0.000 1.883 370 A HA -0.195 4.125 4.320 -0.000 0.000 0.217 370 A C 2.027 179.633 177.584 0.037 0.000 1.186 370 A CA 1.809 53.872 52.037 0.043 0.000 0.624 370 A CB -0.435 18.593 19.000 0.048 0.000 0.822 370 A HN 0.390 nan 8.150 nan 0.000 0.444 371 K N -0.278 120.139 120.400 0.027 0.000 2.044 371 K HA -0.171 4.149 4.320 -0.000 0.000 0.210 371 K C 1.805 178.414 176.600 0.015 0.000 1.049 371 K CA 1.607 57.906 56.287 0.019 0.000 0.927 371 K CB -0.279 32.225 32.500 0.007 0.000 0.713 371 K HN 0.418 nan 8.250 nan 0.000 0.443 372 N N 1.034 119.741 118.700 0.012 0.000 2.244 372 N HA -0.144 4.596 4.740 -0.000 0.000 0.183 372 N C 1.713 177.234 175.510 0.018 0.000 1.016 372 N CA 1.141 54.197 53.050 0.009 0.000 0.866 372 N CB -0.053 38.437 38.487 0.005 0.000 0.980 372 N HN 0.342 nan 8.380 nan 0.000 0.430 373 Q N -0.024 119.793 119.800 0.028 0.000 2.172 373 Q HA -0.048 4.292 4.340 -0.000 0.000 0.200 373 Q C 1.899 177.922 176.000 0.038 0.000 0.964 373 Q CA 0.531 56.355 55.803 0.035 0.000 0.855 373 Q CB -0.022 28.743 28.738 0.045 0.000 0.918 373 Q HN 0.215 nan 8.270 nan 0.000 0.444 374 L N 1.325 122.573 121.223 0.041 0.000 2.007 374 L HA -0.155 4.185 4.340 -0.000 0.000 0.205 374 L C 1.895 178.790 176.870 0.040 0.000 1.073 374 L CA 1.848 56.717 54.840 0.049 0.000 0.744 374 L CB -0.323 41.774 42.059 0.062 0.000 0.898 374 L HN -0.055 nan 8.230 nan 0.000 0.435 375 K N -0.755 119.660 120.400 0.025 0.000 2.074 375 K HA -0.218 4.102 4.320 -0.000 0.000 0.209 375 K C 2.325 178.934 176.600 0.016 0.000 1.048 375 K CA 1.712 58.005 56.287 0.011 0.000 0.926 375 K CB -0.586 31.910 32.500 -0.006 0.000 0.713 375 K HN 0.433 nan 8.250 nan 0.000 0.444 376 S N 1.076 116.787 115.700 0.018 0.000 2.351 376 S HA -0.182 4.288 4.470 -0.000 0.000 0.220 376 S C 2.181 176.795 174.600 0.025 0.000 1.035 376 S CA 2.142 60.354 58.200 0.020 0.000 1.031 376 S CB -0.343 62.870 63.200 0.021 0.000 0.928 376 S HN 0.479 nan 8.310 nan 0.000 0.433 377 S N 1.138 116.856 115.700 0.030 0.000 2.423 377 S HA 0.046 4.516 4.470 -0.000 0.000 0.231 377 S C 1.919 176.539 174.600 0.033 0.000 1.014 377 S CA 0.975 59.195 58.200 0.032 0.000 0.965 377 S CB -0.708 62.514 63.200 0.036 0.000 0.785 377 S HN 0.533 nan 8.310 nan 0.000 0.495 378 L N 0.662 121.906 121.223 0.036 0.000 1.988 378 L HA 0.007 4.347 4.340 -0.000 0.000 0.207 378 L C 2.722 179.610 176.870 0.029 0.000 1.071 378 L CA 1.312 56.175 54.840 0.038 0.000 0.744 378 L CB -0.736 41.352 42.059 0.048 0.000 0.893 378 L HN 0.293 nan 8.230 nan 0.000 0.433 379 L N -0.809 120.427 121.223 0.022 0.000 2.043 379 L HA -0.273 4.067 4.340 -0.000 0.000 0.212 379 L C 2.693 179.575 176.870 0.020 0.000 1.075 379 L CA 1.484 56.334 54.840 0.017 0.000 0.752 379 L CB -0.405 41.661 42.059 0.011 0.000 0.891 379 L HN 0.348 nan 8.230 nan 0.000 0.432 380 M N -1.103 118.511 119.600 0.022 0.000 2.175 380 M HA -0.197 4.283 4.480 -0.000 0.000 0.264 380 M C 2.035 178.352 176.300 0.027 0.000 1.063 380 M CA 1.590 56.905 55.300 0.024 0.000 1.119 380 M CB -0.593 32.021 32.600 0.024 0.000 1.377 380 M HN 0.314 nan 8.290 nan 0.000 0.415 381 N N 0.614 119.331 118.700 0.028 0.000 2.120 381 N HA -0.142 4.598 4.740 -0.000 0.000 0.188 381 N C 1.327 176.856 175.510 0.032 0.000 1.024 381 N CA 0.990 54.058 53.050 0.031 0.000 0.852 381 N CB 0.100 38.605 38.487 0.030 0.000 1.003 381 N HN 0.150 nan 8.380 nan 0.000 0.424 382 L N 1.964 123.203 121.223 0.028 0.000 2.633 382 L HA -0.029 4.311 4.340 -0.000 0.000 0.235 382 L C 1.684 178.570 176.870 0.027 0.000 1.163 382 L CA 1.143 55.998 54.840 0.025 0.000 0.859 382 L CB -0.721 41.349 42.059 0.019 0.000 0.973 382 L HN 0.154 nan 8.230 nan 0.000 0.451 383 E N -1.573 118.644 120.200 0.030 0.000 2.208 383 E HA -0.066 4.284 4.350 -0.000 0.000 0.193 383 E C 0.942 177.566 176.600 0.041 0.000 0.988 383 E CA 0.200 56.619 56.400 0.031 0.000 0.828 383 E CB 0.146 29.866 29.700 0.033 0.000 0.763 383 E HN 0.288 nan 8.360 nan 0.000 0.478 384 S N 0.477 116.207 115.700 0.050 0.000 2.523 384 S HA 0.071 4.541 4.470 -0.000 0.000 0.275 384 S C 0.851 175.495 174.600 0.072 0.000 1.281 384 S CA -0.396 57.846 58.200 0.071 0.000 1.050 384 S CB 0.968 64.209 63.200 0.069 0.000 0.937 384 S HN 0.034 nan 8.310 nan 0.000 0.492 385 K N 3.392 123.848 120.400 0.094 0.000 2.032 385 K HA -0.074 4.246 4.320 -0.000 0.000 0.209 385 K C 1.642 178.306 176.600 0.106 0.000 1.048 385 K CA 1.169 57.505 56.287 0.082 0.000 0.927 385 K CB -0.200 32.352 32.500 0.085 0.000 0.712 385 K HN 0.524 nan 8.250 nan 0.000 0.441 386 L N 0.674 121.974 121.223 0.128 0.000 2.083 386 L HA -0.153 4.187 4.340 -0.000 0.000 0.209 386 L C 2.282 179.207 176.870 0.092 0.000 1.083 386 L CA 1.405 56.313 54.840 0.113 0.000 0.752 386 L CB -0.975 41.141 42.059 0.096 0.000 0.899 386 L HN 0.010 nan 8.230 nan 0.000 0.433 387 V N -0.505 119.454 119.914 0.074 0.000 2.453 387 V HA -0.232 3.888 4.120 -0.000 0.000 0.247 387 V C 2.553 178.673 176.094 0.044 0.000 1.048 387 V CA 1.451 63.785 62.300 0.056 0.000 1.049 387 V CB -0.346 31.505 31.823 0.046 0.000 0.672 387 V HN 0.477 nan 8.190 nan 0.000 0.457 388 E N 0.011 120.237 120.200 0.044 0.000 2.051 388 E HA -0.261 4.089 4.350 -0.000 0.000 0.192 388 E C 2.209 178.824 176.600 0.025 0.000 0.991 388 E CA 1.525 57.942 56.400 0.028 0.000 0.799 388 E CB -0.111 29.609 29.700 0.034 0.000 0.748 388 E HN 0.447 nan 8.360 nan 0.000 0.449 389 L N 1.687 122.944 121.223 0.057 0.000 1.970 389 L HA -0.228 4.112 4.340 -0.000 0.000 0.212 389 L C 2.375 179.253 176.870 0.013 0.000 1.071 389 L CA 2.436 57.317 54.840 0.069 0.000 0.751 389 L CB -0.586 41.553 42.059 0.133 0.000 0.889 389 L HN 0.212 nan 8.230 nan 0.000 0.432 390 E N -0.879 119.365 120.200 0.074 0.000 2.077 390 E HA -0.317 4.033 4.350 -0.000 0.000 0.193 390 E C 1.899 178.448 176.600 -0.086 0.000 0.989 390 E CA 1.583 58.022 56.400 0.065 0.000 0.800 390 E CB -0.226 29.558 29.700 0.140 0.000 0.746 390 E HN 0.725 nan 8.360 nan 0.000 0.452 391 D N -0.134 120.237 120.400 -0.048 0.000 2.144 391 D HA -0.216 4.424 4.640 -0.000 0.000 0.199 391 D C 2.161 178.379 176.300 -0.137 0.000 0.984 391 D CA 1.528 55.487 54.000 -0.069 0.000 0.834 391 D CB -0.102 40.679 40.800 -0.033 0.000 0.955 391 D HN 0.252 nan 8.370 nan 0.000 0.465 392 M N -0.371 119.141 119.600 -0.147 0.000 2.077 392 M HA -0.029 4.451 4.480 -0.000 0.000 0.261 392 M C 2.196 178.338 176.300 -0.264 0.000 1.070 392 M CA 2.108 57.305 55.300 -0.172 0.000 1.125 392 M CB -0.477 32.077 32.600 -0.078 0.000 1.339 392 M HN 0.152 nan 8.290 nan 0.000 0.409 393 G N 0.569 109.072 108.800 -0.494 0.000 2.476 393 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.218 393 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.218 393 G C 1.530 176.106 174.900 -0.539 0.000 1.164 393 G CA 1.063 45.636 45.100 -0.879 0.000 0.768 393 G HN 0.505 nan 8.290 nan 0.000 0.560 394 R N -0.171 120.090 120.500 -0.399 0.000 2.092 394 R HA -0.001 4.339 4.340 -0.000 0.000 0.231 394 R C 2.795 178.971 176.300 -0.206 0.000 1.119 394 R CA 1.227 57.216 56.100 -0.185 0.000 0.970 394 R CB -0.348 29.903 30.300 -0.082 0.000 0.864 394 R HN 0.432 nan 8.270 nan 0.000 0.440 395 Q N 0.235 119.889 119.800 -0.242 0.000 2.084 395 Q HA -0.123 4.217 4.340 -0.000 0.000 0.202 395 Q C 2.235 177.977 176.000 -0.430 0.000 0.978 395 Q CA 1.474 57.051 55.803 -0.376 0.000 0.844 395 Q CB 0.029 28.622 28.738 -0.242 0.000 0.898 395 Q HN 0.175 nan 8.270 nan 0.000 0.426 396 V N 0.875 120.654 119.914 -0.225 0.000 2.358 396 V HA -0.236 3.884 4.120 -0.000 0.000 0.246 396 V C 2.174 178.211 176.094 -0.096 0.000 1.047 396 V CA 1.180 63.420 62.300 -0.100 0.000 1.035 396 V CB -0.444 31.394 31.823 0.024 0.000 0.658 396 V HN 0.308 nan 8.190 nan 0.000 0.452 397 L N -0.678 120.483 121.223 -0.104 0.000 2.042 397 L HA -0.216 4.124 4.340 -0.000 0.000 0.210 397 L C 2.268 179.104 176.870 -0.058 0.000 1.076 397 L CA 2.306 57.119 54.840 -0.045 0.000 0.749 397 L CB -0.511 41.541 42.059 -0.012 0.000 0.893 397 L HN 0.303 nan 8.230 nan 0.000 0.432 398 M N -1.393 118.120 119.600 -0.145 0.000 2.134 398 M HA -0.125 4.355 4.480 -0.000 0.000 0.262 398 M C 0.914 177.188 176.300 -0.044 0.000 1.076 398 M CA 1.851 57.090 55.300 -0.102 0.000 1.143 398 M CB -0.032 32.499 32.600 -0.115 0.000 1.346 398 M HN 0.592 nan 8.290 nan 0.000 0.421 399 H N -2.642 116.444 119.070 0.027 0.000 2.575 399 H HA 0.505 5.061 4.556 -0.000 0.000 0.256 399 H C 0.584 175.933 175.328 0.035 0.000 1.162 399 H CA -0.043 56.022 56.048 0.027 0.000 0.969 399 H CB -0.663 29.110 29.762 0.018 0.000 1.796 399 H HN 0.448 nan 8.280 nan 0.000 0.607 400 G N 2.016 110.830 108.800 0.023 0.000 2.421 400 G HA2 -0.342 3.617 3.960 -0.000 0.000 0.300 400 G HA3 -0.342 3.617 3.960 -0.000 0.000 0.300 400 G C -0.007 174.976 174.900 0.138 0.000 0.974 400 G CA 0.721 45.864 45.100 0.072 0.000 1.062 400 G HN 0.928 nan 8.290 nan 0.000 0.514 401 R N -2.203 118.373 120.500 0.127 0.000 2.709 401 R HA 0.693 5.033 4.340 -0.000 0.000 0.270 401 R C -1.260 175.016 176.300 -0.040 0.000 1.038 401 R CA -1.271 54.922 56.100 0.154 0.000 0.872 401 R CB 1.166 31.572 30.300 0.178 0.000 1.259 401 R HN 0.116 nan 8.270 nan 0.000 0.473 402 K N 2.721 122.919 120.400 -0.337 0.000 2.425 402 K HA 0.323 4.643 4.320 -0.000 0.000 0.259 402 K C -0.564 175.866 176.600 -0.284 0.000 0.978 402 K CA -0.752 55.221 56.287 -0.523 0.000 0.883 402 K CB 1.389 33.131 32.500 -1.263 0.000 1.110 402 K HN 0.701 nan 8.250 nan 0.000 0.436 403 I N 6.904 127.418 120.570 -0.093 0.000 2.668 403 I HA 0.095 4.265 4.170 -0.000 0.000 0.285 403 I C -1.942 174.136 176.117 -0.065 0.000 1.168 403 I CA -1.492 59.788 61.300 -0.035 0.000 1.424 403 I CB 0.822 38.844 38.000 0.036 0.000 1.377 403 I HN 0.551 nan 8.210 nan 0.000 0.560 404 P HA 0.002 nan 4.420 nan 0.000 0.271 404 P C 0.988 178.271 177.300 -0.028 0.000 1.216 404 P CA -0.211 62.866 63.100 -0.039 0.000 0.771 404 P CB 1.349 33.041 31.700 -0.013 0.000 0.864 405 V N 3.689 123.587 119.914 -0.026 0.000 2.317 405 V HA -0.340 3.780 4.120 -0.000 0.000 0.251 405 V C 2.317 178.390 176.094 -0.036 0.000 1.065 405 V CA 2.481 64.767 62.300 -0.023 0.000 1.049 405 V CB -1.557 30.256 31.823 -0.016 0.000 0.651 405 V HN 0.605 nan 8.190 nan 0.000 0.450 406 N N -0.193 118.489 118.700 -0.031 0.000 2.037 406 N HA -0.296 4.444 4.740 -0.000 0.000 0.196 406 N C 1.999 177.474 175.510 -0.059 0.000 1.034 406 N CA 1.657 54.684 53.050 -0.038 0.000 0.861 406 N CB -0.268 38.204 38.487 -0.025 0.000 1.039 406 N HN 0.639 nan 8.380 nan 0.000 0.427 407 E N 1.051 121.220 120.200 -0.052 0.000 2.085 407 E HA -0.252 4.098 4.350 -0.000 0.000 0.194 407 E C 2.116 178.637 176.600 -0.130 0.000 0.994 407 E CA 1.002 57.363 56.400 -0.065 0.000 0.801 407 E CB -0.031 29.649 29.700 -0.032 0.000 0.743 407 E HN 0.338 nan 8.360 nan 0.000 0.453 408 M N 0.401 119.925 119.600 -0.127 0.000 2.086 408 M HA -0.189 4.291 4.480 -0.000 0.000 0.261 408 M C 2.099 178.189 176.300 -0.351 0.000 1.067 408 M CA 1.606 56.756 55.300 -0.251 0.000 1.116 408 M CB -0.117 32.441 32.600 -0.070 0.000 1.348 408 M HN 0.172 nan 8.290 nan 0.000 0.407 409 I N -0.242 120.216 120.570 -0.187 0.000 2.179 409 I HA -0.291 3.879 4.170 -0.000 0.000 0.242 409 I C 2.392 178.407 176.117 -0.170 0.000 1.088 409 I CA 1.365 62.573 61.300 -0.153 0.000 1.357 409 I CB -0.476 37.473 38.000 -0.085 0.000 1.051 409 I HN 0.347 nan 8.210 nan 0.000 0.409 410 S N 0.727 116.338 115.700 -0.149 0.000 2.359 410 S HA -0.244 4.226 4.470 -0.000 0.000 0.223 410 S C 1.930 176.431 174.600 -0.164 0.000 1.039 410 S CA 1.519 59.644 58.200 -0.125 0.000 1.042 410 S CB -0.291 62.853 63.200 -0.094 0.000 0.915 410 S HN 0.364 nan 8.310 nan 0.000 0.439 411 K N 0.512 120.759 120.400 -0.255 0.000 2.152 411 K HA -0.040 4.280 4.320 -0.000 0.000 0.206 411 K C 1.929 178.369 176.600 -0.268 0.000 1.048 411 K CA 1.146 57.265 56.287 -0.280 0.000 0.933 411 K CB -0.305 31.927 32.500 -0.448 0.000 0.721 411 K HN 0.391 nan 8.250 nan 0.000 0.447 412 I N 0.774 121.148 120.570 -0.326 0.000 2.277 412 I HA -0.198 3.972 4.170 -0.000 0.000 0.243 412 I C 1.930 177.994 176.117 -0.089 0.000 1.094 412 I CA 1.138 62.334 61.300 -0.174 0.000 1.393 412 I CB -0.208 37.701 38.000 -0.152 0.000 1.078 412 I HN 0.164 nan 8.210 nan 0.000 0.417 413 E N 0.843 120.988 120.200 -0.092 0.000 2.204 413 E HA -0.216 4.134 4.350 -0.000 0.000 0.195 413 E C 1.001 177.574 176.600 -0.045 0.000 0.990 413 E CA 0.971 57.337 56.400 -0.057 0.000 0.821 413 E CB -0.071 29.596 29.700 -0.055 0.000 0.750 413 E HN 0.465 nan 8.360 nan 0.000 0.477 414 D N 0.239 120.607 120.400 -0.053 0.000 2.349 414 D HA 0.034 4.674 4.640 -0.000 0.000 0.224 414 D C 0.379 176.665 176.300 -0.024 0.000 1.029 414 D CA 0.286 54.264 54.000 -0.037 0.000 0.879 414 D CB 0.133 40.909 40.800 -0.040 0.000 0.906 414 D HN 0.126 nan 8.370 nan 0.000 0.528 415 L N 0.898 122.108 121.223 -0.022 0.000 2.416 415 L HA 0.139 4.479 4.340 -0.000 0.000 0.272 415 L C 0.560 177.427 176.870 -0.005 0.000 1.161 415 L CA 0.345 55.181 54.840 -0.006 0.000 0.845 415 L CB 0.574 42.636 42.059 0.005 0.000 1.119 415 L HN -0.350 nan 8.230 nan 0.000 0.464 416 K N 3.412 123.810 120.400 -0.003 0.000 2.328 416 K HA 0.353 4.672 4.320 -0.000 0.000 0.246 416 K C -1.858 174.743 176.600 0.001 0.000 0.955 416 K CA -1.569 54.717 56.287 -0.002 0.000 0.817 416 K CB 1.761 34.259 32.500 -0.004 0.000 1.208 416 K HN 0.094 nan 8.250 nan 0.000 0.432 417 P HA -0.275 nan 4.420 nan 0.000 0.218 417 P C 0.222 177.527 177.300 0.008 0.000 1.154 417 P CA 1.470 64.576 63.100 0.010 0.000 0.872 417 P CB 0.221 31.929 31.700 0.012 0.000 0.790 418 D N -1.013 119.389 120.400 0.004 0.000 2.178 418 D HA -0.151 4.489 4.640 -0.000 0.000 0.201 418 D C 1.515 177.809 176.300 -0.009 0.000 0.980 418 D CA 1.026 55.027 54.000 0.001 0.000 0.842 418 D CB -0.616 40.183 40.800 -0.001 0.000 0.948 418 D HN 0.242 nan 8.370 nan 0.000 0.472 419 D N 0.671 121.064 120.400 -0.011 0.000 2.097 419 D HA -0.126 4.514 4.640 -0.000 0.000 0.195 419 D C 2.206 178.484 176.300 -0.036 0.000 0.989 419 D CA 0.529 54.517 54.000 -0.020 0.000 0.827 419 D CB -0.033 40.762 40.800 -0.009 0.000 0.966 419 D HN 0.219 nan 8.370 nan 0.000 0.456 420 I N 1.021 121.577 120.570 -0.024 0.000 2.315 420 I HA -0.151 4.019 4.170 -0.000 0.000 0.248 420 I C 2.377 178.470 176.117 -0.041 0.000 1.117 420 I CA 0.837 62.116 61.300 -0.034 0.000 1.404 420 I CB -1.258 36.741 38.000 -0.003 0.000 1.071 420 I HN -0.137 nan 8.210 nan 0.000 0.419 421 S N 0.414 116.108 115.700 -0.010 0.000 2.383 421 S HA -0.132 4.338 4.470 -0.000 0.000 0.227 421 S C 2.126 176.702 174.600 -0.040 0.000 1.026 421 S CA 0.911 59.121 58.200 0.016 0.000 0.981 421 S CB -0.210 63.018 63.200 0.046 0.000 0.818 421 S HN 0.380 nan 8.310 nan 0.000 0.472 422 R N 0.969 121.433 120.500 -0.060 0.000 2.073 422 R HA -0.079 4.261 4.340 -0.000 0.000 0.234 422 R C 2.053 178.245 176.300 -0.180 0.000 1.134 422 R CA 1.445 57.487 56.100 -0.096 0.000 0.952 422 R CB -0.443 29.815 30.300 -0.070 0.000 0.850 422 R HN 0.258 nan 8.270 nan 0.000 0.433 423 V N 1.099 120.900 119.914 -0.189 0.000 2.343 423 V HA -0.222 3.898 4.120 -0.000 0.000 0.247 423 V C 2.502 178.340 176.094 -0.427 0.000 1.051 423 V CA 1.858 63.985 62.300 -0.288 0.000 1.036 423 V CB -0.736 30.927 31.823 -0.266 0.000 0.654 423 V HN 0.533 nan 8.190 nan 0.000 0.451 424 A N 0.035 122.642 122.820 -0.355 0.000 1.877 424 A HA -0.300 4.020 4.320 -0.000 0.000 0.216 424 A C 2.286 179.488 177.584 -0.635 0.000 1.186 424 A CA 2.146 53.942 52.037 -0.403 0.000 0.620 424 A CB -0.539 18.446 19.000 -0.025 0.000 0.822 424 A HN 0.669 nan 8.150 nan 0.000 0.443 425 E N -0.603 119.166 120.200 -0.718 0.000 2.051 425 E HA -0.259 4.091 4.350 -0.000 0.000 0.192 425 E C 2.050 178.235 176.600 -0.690 0.000 0.991 425 E CA 1.594 57.326 56.400 -1.113 0.000 0.799 425 E CB -0.290 29.057 29.700 -0.589 0.000 0.748 425 E HN 0.617 nan 8.360 nan 0.000 0.449 426 M N 0.437 119.749 119.600 -0.481 0.000 2.082 426 M HA -0.204 4.276 4.480 -0.000 0.000 0.258 426 M C 1.839 177.866 176.300 -0.455 0.000 1.069 426 M CA 1.651 56.722 55.300 -0.382 0.000 1.102 426 M CB -0.105 32.306 32.600 -0.315 0.000 1.336 426 M HN 0.225 nan 8.290 nan 0.000 0.404 427 I N 0.168 120.365 120.570 -0.622 0.000 2.163 427 I HA -0.241 3.929 4.170 -0.000 0.000 0.240 427 I C 2.203 177.883 176.117 -0.729 0.000 1.081 427 I CA 1.711 62.588 61.300 -0.705 0.000 1.353 427 I CB -1.683 35.692 38.000 -1.042 0.000 1.054 427 I HN 0.271 nan 8.210 nan 0.000 0.407 428 F N 1.018 120.608 119.950 -0.600 0.000 2.502 428 F HA -0.046 4.481 4.527 -0.000 0.000 0.298 428 F C 2.460 177.804 175.800 -0.760 0.000 1.111 428 F CA 0.727 58.245 58.000 -0.803 0.000 1.445 428 F CB -1.475 37.257 39.000 -0.447 0.000 1.081 428 F HN 0.005 nan 8.300 nan 0.000 0.558 429 T N -1.036 113.280 114.554 -0.396 0.000 3.113 429 T HA 0.203 4.552 4.350 -0.000 0.000 0.256 429 T C 1.723 176.306 174.700 -0.194 0.000 1.131 429 T CA 0.847 62.812 62.100 -0.225 0.000 1.074 429 T CB -0.499 68.257 68.868 -0.187 0.000 0.944 429 T HN 0.442 nan 8.240 nan 0.000 0.516 430 G N 2.089 110.721 108.800 -0.280 0.000 2.176 430 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.252 430 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.252 430 G C 0.397 175.243 174.900 -0.089 0.000 1.024 430 G CA 0.174 45.211 45.100 -0.104 0.000 0.755 430 G HN 0.513 nan 8.290 nan 0.000 0.507 431 N N -0.689 117.920 118.700 -0.152 0.000 2.320 431 N HA 0.377 5.117 4.740 -0.000 0.000 0.237 431 N C 0.558 175.991 175.510 -0.129 0.000 1.129 431 N CA -0.061 52.917 53.050 -0.119 0.000 0.854 431 N CB 0.635 39.046 38.487 -0.127 0.000 1.083 431 N HN 0.274 nan 8.380 nan 0.000 0.504 432 V N 0.971 120.796 119.914 -0.148 0.000 2.649 432 V HA 0.172 4.292 4.120 -0.000 0.000 0.292 432 V C 0.140 176.187 176.094 -0.079 0.000 1.055 432 V CA -0.324 61.886 62.300 -0.150 0.000 1.023 432 V CB 1.299 32.996 31.823 -0.210 0.000 0.992 432 V HN 0.317 nan 8.190 nan 0.000 0.480 433 N N 4.181 122.854 118.700 -0.044 0.000 2.904 433 N HA 0.298 5.038 4.740 -0.000 0.000 0.257 433 N C -0.757 174.771 175.510 0.029 0.000 1.363 433 N CA -0.307 52.743 53.050 0.000 0.000 0.856 433 N CB 0.662 39.154 38.487 0.008 0.000 1.166 433 N HN 0.608 nan 8.380 nan 0.000 0.499 434 N N 0.239 118.959 118.700 0.032 0.000 2.463 434 N HA 0.213 4.953 4.740 -0.000 0.000 0.270 434 N C 1.301 176.852 175.510 0.068 0.000 1.205 434 N CA -0.308 52.779 53.050 0.062 0.000 0.974 434 N CB 1.052 39.581 38.487 0.070 0.000 1.197 434 N HN 0.283 nan 8.380 nan 0.000 0.504 435 A N 0.930 123.793 122.820 0.072 0.000 1.958 435 A HA -0.152 4.168 4.320 -0.000 0.000 0.221 435 A C 1.861 179.488 177.584 0.072 0.000 1.178 435 A CA 2.236 54.312 52.037 0.065 0.000 0.642 435 A CB -1.201 17.837 19.000 0.064 0.000 0.816 435 A HN 0.735 nan 8.150 nan 0.000 0.453 436 G N -1.220 107.636 108.800 0.093 0.000 2.776 436 G HA2 0.011 3.971 3.960 -0.000 0.000 0.209 436 G HA3 0.011 3.971 3.960 -0.000 0.000 0.209 436 G C 0.607 175.569 174.900 0.103 0.000 1.145 436 G CA 0.765 45.928 45.100 0.106 0.000 0.791 436 G HN 0.820 nan 8.290 nan 0.000 0.530 437 N N -0.576 118.177 118.700 0.088 0.000 2.671 437 N HA -0.099 4.641 4.740 -0.000 0.000 0.261 437 N C 0.688 176.259 175.510 0.101 0.000 1.053 437 N CA 0.742 53.838 53.050 0.077 0.000 0.732 437 N CB -1.177 37.347 38.487 0.062 0.000 0.887 437 N HN 0.441 nan 8.380 nan 0.000 0.546 438 G N 1.209 110.088 108.800 0.131 0.000 2.569 438 G HA2 0.314 4.274 3.960 -0.000 0.000 0.249 438 G HA3 0.314 4.274 3.960 -0.000 0.000 0.249 438 G C 0.230 175.243 174.900 0.188 0.000 1.216 438 G CA -0.511 44.715 45.100 0.210 0.000 0.845 438 G HN 0.328 nan 8.290 nan 0.000 0.568 439 K N -0.007 120.540 120.400 0.244 0.000 2.149 439 K HA 0.252 4.572 4.320 -0.000 0.000 0.245 439 K C 1.127 177.878 176.600 0.251 0.000 1.024 439 K CA -0.056 56.343 56.287 0.188 0.000 0.899 439 K CB 0.916 33.494 32.500 0.129 0.000 1.038 439 K HN 0.477 nan 8.250 nan 0.000 0.496 440 G N 0.546 109.461 108.800 0.191 0.000 3.523 440 G HA2 0.016 3.976 3.960 -0.000 0.000 0.270 440 G HA3 0.016 3.976 3.960 -0.000 0.000 0.270 440 G C 0.373 175.459 174.900 0.310 0.000 1.134 440 G CA -0.186 45.038 45.100 0.207 0.000 0.825 440 G HN 0.342 nan 8.290 nan 0.000 0.534 441 R N 0.700 121.380 120.500 0.300 0.000 2.441 441 R HA 0.582 4.922 4.340 -0.000 0.000 0.284 441 R C 0.503 176.944 176.300 0.235 0.000 1.070 441 R CA -0.338 55.902 56.100 0.234 0.000 1.047 441 R CB 0.717 31.077 30.300 0.100 0.000 1.016 441 R HN 0.116 nan 8.270 nan 0.000 0.477 442 A N 2.496 125.359 122.820 0.073 0.000 2.346 442 A HA 0.263 4.583 4.320 -0.000 0.000 0.252 442 A C -0.464 176.979 177.584 -0.234 0.000 1.089 442 A CA -0.037 51.757 52.037 -0.405 0.000 0.797 442 A CB 0.669 19.350 19.000 -0.531 0.000 1.047 442 A HN 0.726 nan 8.150 nan 0.000 0.494 443 T N 1.028 115.416 114.554 -0.277 0.000 2.786 443 T HA 0.534 4.884 4.350 -0.000 0.000 0.283 443 T C -0.813 173.795 174.700 -0.154 0.000 0.992 443 T CA -0.241 61.755 62.100 -0.174 0.000 0.954 443 T CB 0.960 69.754 68.868 -0.122 0.000 0.934 443 T HN 0.474 nan 8.240 nan 0.000 0.440 444 V N 3.997 123.832 119.914 -0.132 0.000 2.483 444 V HA 0.648 4.768 4.120 -0.000 0.000 0.297 444 V C -0.496 175.521 176.094 -0.129 0.000 1.027 444 V CA -0.760 61.468 62.300 -0.121 0.000 0.855 444 V CB 1.844 33.594 31.823 -0.121 0.000 0.995 444 V HN 0.650 nan 8.190 nan 0.000 0.424 445 V N 7.206 127.044 119.914 -0.126 0.000 2.789 445 V HA 0.815 4.935 4.120 -0.000 0.000 0.311 445 V C -0.586 175.400 176.094 -0.180 0.000 1.073 445 V CA -0.427 61.795 62.300 -0.130 0.000 0.921 445 V CB 1.993 33.765 31.823 -0.085 0.000 1.009 445 V HN 0.952 nan 8.190 nan 0.000 0.426 446 M N 4.350 123.822 119.600 -0.213 0.000 2.578 446 M HA 0.609 5.089 4.480 -0.000 0.000 0.276 446 M C -1.665 174.558 176.300 -0.128 0.000 1.245 446 M CA -0.770 54.362 55.300 -0.279 0.000 0.871 446 M CB 2.198 34.302 32.600 -0.828 0.000 1.722 446 M HN 0.605 nan 8.290 nan 0.000 0.473 447 Q N 1.161 120.955 119.800 -0.010 0.000 2.333 447 Q HA 0.754 5.094 4.340 -0.000 0.000 0.268 447 Q C -0.659 175.243 176.000 -0.162 0.000 1.007 447 Q CA 0.158 55.967 55.803 0.010 0.000 0.810 447 Q CB 1.996 30.830 28.738 0.161 0.000 1.264 447 Q HN 1.154 nan 8.270 nan 0.000 0.452 448 G N 2.808 111.363 108.800 -0.409 0.000 2.339 448 G HA2 -0.050 3.910 3.960 -0.000 0.000 0.275 448 G HA3 -0.050 3.910 3.960 -0.000 0.000 0.275 448 G C -1.792 172.763 174.900 -0.576 0.000 1.323 448 G CA -0.620 43.716 45.100 -1.274 0.000 0.927 448 G HN 0.688 nan 8.290 nan 0.000 0.486 449 D N -0.508 119.603 120.400 -0.483 0.000 2.348 449 D HA 0.494 5.134 4.640 -0.000 0.000 0.253 449 D C 1.528 177.877 176.300 0.081 0.000 1.161 449 D CA -0.363 53.606 54.000 -0.052 0.000 0.876 449 D CB 1.451 42.303 40.800 0.086 0.000 1.160 449 D HN 0.571 nan 8.370 nan 0.000 0.459 450 R N 3.418 123.975 120.500 0.096 0.000 2.096 450 R HA -0.097 4.242 4.340 -0.000 0.000 0.240 450 R C 2.064 178.482 176.300 0.198 0.000 1.139 450 R CA 2.272 58.477 56.100 0.176 0.000 0.952 450 R CB -1.051 29.296 30.300 0.078 0.000 0.854 450 R HN 0.620 nan 8.270 nan 0.000 0.436 451 G N -0.747 108.117 108.800 0.106 0.000 2.476 451 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.218 451 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.218 451 G C 1.497 176.436 174.900 0.065 0.000 1.164 451 G CA 1.167 46.313 45.100 0.077 0.000 0.768 451 G HN 0.439 nan 8.290 nan 0.000 0.560 452 S N 0.377 116.092 115.700 0.025 0.000 2.461 452 S HA -0.112 4.358 4.470 -0.000 0.000 0.246 452 S C 1.679 176.145 174.600 -0.224 0.000 1.007 452 S CA 1.095 59.230 58.200 -0.107 0.000 0.976 452 S CB -0.325 62.819 63.200 -0.093 0.000 0.763 452 S HN 0.395 nan 8.310 nan 0.000 0.508 453 F N 0.903 120.891 119.950 0.064 0.000 2.754 453 F HA 0.331 4.858 4.527 -0.000 0.000 0.297 453 F C 1.737 177.552 175.800 0.025 0.000 1.122 453 F CA 0.324 58.352 58.000 0.046 0.000 1.400 453 F CB -0.415 38.609 39.000 0.040 0.000 1.117 453 F HN 0.302 nan 8.300 nan 0.000 0.587 454 G N 0.330 109.225 108.800 0.158 0.000 2.698 454 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.233 454 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.233 454 G C -0.527 174.432 174.900 0.100 0.000 1.352 454 G CA -0.334 44.825 45.100 0.099 0.000 0.879 454 G HN 0.173 nan 8.290 nan 0.000 0.567 455 D N 0.604 121.047 120.400 0.072 0.000 2.498 455 D HA 0.293 4.933 4.640 -0.000 0.000 0.229 455 D C 2.010 178.353 176.300 0.072 0.000 1.188 455 D CA 0.446 54.484 54.000 0.063 0.000 1.028 455 D CB 0.431 41.261 40.800 0.051 0.000 1.087 455 D HN 0.322 nan 8.370 nan 0.000 0.510 456 V N 3.547 123.505 119.914 0.073 0.000 2.252 456 V HA -0.270 3.850 4.120 -0.000 0.000 0.249 456 V C 2.416 178.551 176.094 0.067 0.000 1.056 456 V CA 2.124 64.464 62.300 0.066 0.000 1.022 456 V CB -0.500 31.343 31.823 0.032 0.000 0.641 456 V HN 0.577 nan 8.190 nan 0.000 0.445 457 E N 0.236 120.471 120.200 0.059 0.000 2.110 457 E HA -0.288 4.062 4.350 -0.000 0.000 0.193 457 E C 2.068 178.721 176.600 0.089 0.000 0.988 457 E CA 1.609 58.052 56.400 0.071 0.000 0.804 457 E CB -0.182 29.552 29.700 0.056 0.000 0.745 457 E HN 0.619 nan 8.360 nan 0.000 0.458 458 N N -0.201 118.545 118.700 0.077 0.000 2.084 458 N HA -0.149 4.591 4.740 -0.000 0.000 0.190 458 N C 1.703 177.276 175.510 0.105 0.000 1.030 458 N CA 1.540 54.636 53.050 0.077 0.000 0.849 458 N CB -0.125 38.398 38.487 0.059 0.000 1.012 458 N HN 0.049 nan 8.380 nan 0.000 0.423 459 V N 0.913 120.900 119.914 0.121 0.000 2.343 459 V HA -0.202 3.918 4.120 -0.000 0.000 0.247 459 V C 2.325 178.571 176.094 0.253 0.000 1.051 459 V CA 1.292 63.701 62.300 0.181 0.000 1.036 459 V CB -0.571 31.338 31.823 0.144 0.000 0.654 459 V HN 0.317 nan 8.190 nan 0.000 0.451 460 L N -0.558 120.780 121.223 0.191 0.000 2.017 460 L HA -0.190 4.150 4.340 -0.000 0.000 0.208 460 L C 2.634 179.653 176.870 0.249 0.000 1.073 460 L CA 1.763 56.742 54.840 0.230 0.000 0.745 460 L CB -0.626 41.565 42.059 0.220 0.000 0.894 460 L HN 0.256 nan 8.230 nan 0.000 0.432 461 K N 0.074 120.584 120.400 0.184 0.000 2.057 461 K HA -0.153 4.167 4.320 -0.000 0.000 0.207 461 K C 2.215 178.889 176.600 0.124 0.000 1.049 461 K CA 1.317 57.693 56.287 0.149 0.000 0.931 461 K CB -0.318 32.246 32.500 0.106 0.000 0.714 461 K HN 0.283 nan 8.250 nan 0.000 0.440 462 A N 0.536 123.420 122.820 0.106 0.000 1.986 462 A HA -0.186 4.134 4.320 -0.000 0.000 0.220 462 A C 1.394 178.910 177.584 -0.114 0.000 1.171 462 A CA 1.408 53.437 52.037 -0.014 0.000 0.640 462 A CB -0.582 18.394 19.000 -0.040 0.000 0.811 462 A HN 0.346 nan 8.150 nan 0.000 0.451 463 Y N -0.992 119.320 120.300 0.019 0.000 2.468 463 Y HA 0.363 4.913 4.550 -0.000 0.000 0.268 463 Y C 1.775 177.780 175.900 0.175 0.000 1.177 463 Y CA 0.166 58.278 58.100 0.021 0.000 1.265 463 Y CB 0.004 38.469 38.460 0.008 0.000 1.103 463 Y HN 0.437 nan 8.280 nan 0.000 0.522 464 G N 0.591 109.538 108.800 0.244 0.000 2.155 464 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.257 464 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.257 464 G C 0.067 175.116 174.900 0.249 0.000 0.983 464 G CA 0.111 45.348 45.100 0.228 0.000 0.676 464 G HN 0.276 nan 8.290 nan 0.000 0.528 465 L N 0.164 121.549 121.223 0.269 0.000 2.395 465 L HA 0.586 4.926 4.340 -0.000 0.000 0.269 465 L C 1.387 178.366 176.870 0.182 0.000 1.133 465 L CA 0.501 55.462 54.840 0.200 0.000 0.812 465 L CB 0.914 43.141 42.059 0.280 0.000 1.125 465 L HN 1.104 nan 8.230 nan 0.000 0.452 466 G N 2.465 111.264 108.800 -0.002 0.000 2.698 466 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.225 466 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.225 466 G C -1.120 173.849 174.900 0.115 0.000 1.345 466 G CA -0.409 44.810 45.100 0.198 0.000 0.871 466 G HN 0.823 nan 8.290 nan 0.000 0.540 467 N N -1.509 117.281 118.700 0.150 0.000 2.336 467 N HA 0.622 5.362 4.740 -0.000 0.000 0.290 467 N C 0.513 176.085 175.510 0.104 0.000 1.058 467 N CA 0.482 53.591 53.050 0.098 0.000 0.865 467 N CB 2.063 40.593 38.487 0.072 0.000 1.581 467 N HN 0.773 nan 8.380 nan 0.000 0.480 468 S N 1.153 116.903 115.700 0.082 0.000 2.502 468 S HA 0.156 4.626 4.470 -0.000 0.000 0.215 468 S C 0.126 174.760 174.600 0.057 0.000 1.009 468 S CA -0.019 58.224 58.200 0.072 0.000 0.908 468 S CB -0.188 63.052 63.200 0.067 0.000 0.801 468 S HN 0.687 nan 8.310 nan 0.000 0.505 469 S N 0.529 116.260 115.700 0.051 0.000 2.632 469 S HA 0.642 5.112 4.470 -0.000 0.000 0.271 469 S C 0.123 174.748 174.600 0.042 0.000 1.260 469 S CA -0.587 57.638 58.200 0.041 0.000 1.010 469 S CB 1.514 64.735 63.200 0.034 0.000 0.965 469 S HN 0.198 nan 8.310 nan 0.000 0.534 470 S N 0.000 115.722 115.700 0.036 0.000 2.498 470 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 470 S CA 0.000 58.222 58.200 0.037 0.000 1.107 470 S CB 0.000 63.219 63.200 0.032 0.000 0.593 470 S HN 0.000 nan 8.310 nan 0.000 0.517