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 2nu8_1_E DATA FIRST_RESID 1 DATA SEQUENCE MNLHEYQAKQ LFARYGLPAP VGYACTTPRE AEEAASKIGA GPWVVKCQVH DATA SEQUENCE AGGRGKAGGV KVVNSKEDIR AFAENWLGKR LVTYQTDANG QPVNQILVEA DATA SEQUENCE ATDIAKELYL GAVVDRSSRR VVFMASTEGG VEIEKVAEET PHLIHKVALD DATA SEQUENCE PLTGPMPYQG RELAFKLGLE GKLVQQFTKI FMGLATIFLE RDLALIEINP DATA SEQUENCE LVITKQGDLI CLDGKLGADG NALFRQPDLR EMRDQSQEDP REAQAAQWEL DATA SEQUENCE NYVALDGNIG CMVNGAGLAM GTMDIVKLHG GEPANFLDVG GGATKERVTE DATA SEQUENCE AFKIILSDDK VKAVLVNIFG GIVRCDLIAD GIIGAVAEVG VNVPVVVRLE DATA SEQUENCE GNNAELGAKK LADSGLNIIA AKGLTDAAQQ VVAAV 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.158 176.300 -0.237 0.000 1.140 1 M CA 0.000 55.213 55.300 -0.145 0.000 0.988 1 M CB 0.000 32.535 32.600 -0.108 0.000 1.302 2 N N 1.414 119.905 118.700 -0.348 0.000 2.493 2 N HA 0.773 5.511 4.740 -0.002 0.000 0.275 2 N C -1.316 173.724 175.510 -0.783 0.000 1.186 2 N CA -0.312 52.380 53.050 -0.597 0.000 0.978 2 N CB 1.484 39.501 38.487 -0.782 0.000 1.184 2 N HN 0.602 nan 8.380 nan 0.000 0.487 3 L N 0.640 121.463 121.223 -0.667 0.000 2.319 3 L HA 0.349 4.688 4.340 -0.002 0.000 0.267 3 L C 0.326 176.931 176.870 -0.442 0.000 1.011 3 L CA -0.912 53.636 54.840 -0.487 0.000 0.818 3 L CB 1.482 43.336 42.059 -0.341 0.000 1.316 3 L HN 0.361 nan 8.230 nan 0.000 0.432 4 H N 1.021 120.002 119.070 -0.148 0.000 2.679 4 H HA -0.002 4.553 4.556 -0.002 0.000 0.369 4 H C 0.567 175.775 175.328 -0.201 0.000 1.178 4 H CA 0.198 56.208 56.048 -0.063 0.000 1.419 4 H CB 1.495 31.188 29.762 -0.115 0.000 1.458 4 H HN 0.702 nan 8.280 nan 0.000 0.605 5 E N 2.440 122.696 120.200 0.094 0.000 2.070 5 E HA -0.274 4.074 4.350 -0.002 0.000 0.197 5 E C 1.657 178.240 176.600 -0.028 0.000 1.004 5 E CA 1.800 58.210 56.400 0.016 0.000 0.805 5 E CB -0.239 29.515 29.700 0.090 0.000 0.744 5 E HN 0.745 nan 8.360 nan 0.000 0.451 6 Y N 0.337 120.640 120.300 0.005 0.000 2.274 6 Y HA -0.111 4.437 4.550 -0.002 0.000 0.290 6 Y C 2.018 177.873 175.900 -0.074 0.000 1.145 6 Y CA 1.377 59.454 58.100 -0.039 0.000 1.203 6 Y CB -0.601 37.843 38.460 -0.027 0.000 0.984 6 Y HN 0.046 nan 8.280 nan 0.000 0.533 7 Q N 0.818 120.165 119.800 -0.755 0.000 2.123 7 Q HA -0.012 4.327 4.340 -0.002 0.000 0.199 7 Q C 2.631 178.377 176.000 -0.423 0.000 0.966 7 Q CA 1.092 56.548 55.803 -0.579 0.000 0.845 7 Q CB -0.254 28.129 28.738 -0.591 0.000 0.907 7 Q HN 0.663 nan 8.270 nan 0.000 0.439 8 A N 1.605 124.142 122.820 -0.471 0.000 1.902 8 A HA -0.210 4.109 4.320 -0.002 0.000 0.217 8 A C 1.895 178.809 177.584 -1.117 0.000 1.181 8 A CA 1.463 53.052 52.037 -0.747 0.000 0.623 8 A CB -0.250 18.359 19.000 -0.653 0.000 0.818 8 A HN 0.157 nan 8.150 nan 0.000 0.443 9 K N -0.574 119.448 120.400 -0.630 0.000 2.097 9 K HA -0.136 4.182 4.320 -0.002 0.000 0.205 9 K C 2.342 178.821 176.600 -0.201 0.000 1.050 9 K CA 1.411 57.480 56.287 -0.363 0.000 0.938 9 K CB -0.178 32.279 32.500 -0.070 0.000 0.718 9 K HN 0.585 nan 8.250 nan 0.000 0.442 10 Q N 0.731 120.428 119.800 -0.172 0.000 2.061 10 Q HA -0.161 4.178 4.340 -0.002 0.000 0.204 10 Q C 2.224 178.188 176.000 -0.059 0.000 0.984 10 Q CA 1.342 57.099 55.803 -0.077 0.000 0.846 10 Q CB -0.160 28.545 28.738 -0.056 0.000 0.902 10 Q HN 0.309 nan 8.270 nan 0.000 0.421 11 L N -0.256 120.879 121.223 -0.146 0.000 2.012 11 L HA -0.215 4.123 4.340 -0.002 0.000 0.210 11 L C 2.281 179.276 176.870 0.208 0.000 1.073 11 L CA 0.985 55.823 54.840 -0.004 0.000 0.748 11 L CB -0.392 41.597 42.059 -0.118 0.000 0.891 11 L HN 0.203 nan 8.230 nan 0.000 0.431 12 F N 0.051 120.025 119.950 0.041 0.000 2.069 12 F HA -0.241 4.285 4.527 -0.002 0.000 0.298 12 F C 2.672 178.518 175.800 0.077 0.000 1.113 12 F CA 0.916 58.941 58.000 0.042 0.000 1.214 12 F CB -1.603 37.393 39.000 -0.007 0.000 0.978 12 F HN 0.059 nan 8.300 nan 0.000 0.474 13 A N 0.144 123.104 122.820 0.234 0.000 1.892 13 A HA -0.251 4.068 4.320 -0.002 0.000 0.218 13 A C 2.373 180.017 177.584 0.100 0.000 1.188 13 A CA 1.970 54.082 52.037 0.125 0.000 0.631 13 A CB -0.890 18.145 19.000 0.058 0.000 0.822 13 A HN 0.329 nan 8.150 nan 0.000 0.447 14 R N -2.374 118.189 120.500 0.106 0.000 2.159 14 R HA -0.133 4.206 4.340 -0.002 0.000 0.237 14 R C 0.766 177.032 176.300 -0.057 0.000 1.131 14 R CA 1.427 57.539 56.100 0.020 0.000 0.982 14 R CB -0.263 30.050 30.300 0.021 0.000 0.868 14 R HN 0.673 nan 8.270 nan 0.000 0.453 15 Y N -0.726 119.597 120.300 0.038 0.000 2.532 15 Y HA 0.224 4.773 4.550 -0.002 0.000 0.283 15 Y C 1.342 177.242 175.900 -0.000 0.000 1.181 15 Y CA 0.296 58.406 58.100 0.017 0.000 1.256 15 Y CB 0.818 39.294 38.460 0.027 0.000 1.112 15 Y HN 0.208 nan 8.280 nan 0.000 0.521 16 G N 0.418 109.276 108.800 0.097 0.000 2.155 16 G HA2 -0.292 3.667 3.960 -0.002 0.000 0.257 16 G HA3 -0.292 3.667 3.960 -0.002 0.000 0.257 16 G C 0.142 175.070 174.900 0.048 0.000 0.983 16 G CA 0.212 45.342 45.100 0.050 0.000 0.676 16 G HN 0.290 nan 8.290 nan 0.000 0.528 17 L N 1.152 122.422 121.223 0.077 0.000 2.439 17 L HA 0.533 4.872 4.340 -0.002 0.000 0.261 17 L C -1.544 175.349 176.870 0.038 0.000 1.153 17 L CA -1.961 52.882 54.840 0.005 0.000 0.808 17 L CB 0.978 42.989 42.059 -0.079 0.000 1.126 17 L HN 0.017 nan 8.230 nan 0.000 0.460 18 P HA 0.505 nan 4.420 nan 0.000 0.299 18 P C -1.538 175.799 177.300 0.062 0.000 1.323 18 P CA -0.412 62.706 63.100 0.031 0.000 0.896 18 P CB 2.298 34.003 31.700 0.008 0.000 1.081 19 A N 3.868 126.736 122.820 0.081 0.000 2.556 19 A HA 0.799 5.118 4.320 -0.002 0.000 0.294 19 A C -2.834 174.784 177.584 0.056 0.000 1.091 19 A CA -1.804 50.290 52.037 0.095 0.000 0.704 19 A CB 0.391 19.479 19.000 0.146 0.000 1.300 19 A HN 0.314 nan 8.150 nan 0.000 0.406 20 P HA 0.264 nan 4.420 nan 0.000 0.269 20 P C -0.452 176.861 177.300 0.023 0.000 1.217 20 P CA -0.262 62.863 63.100 0.041 0.000 0.783 20 P CB 0.378 32.107 31.700 0.049 0.000 0.898 21 V N 1.601 121.530 119.914 0.025 0.000 2.521 21 V HA 0.517 4.636 4.120 -0.002 0.000 0.286 21 V C 0.981 177.066 176.094 -0.015 0.000 1.034 21 V CA 1.026 63.320 62.300 -0.010 0.000 1.045 21 V CB 0.110 31.959 31.823 0.043 0.000 0.974 21 V HN 0.874 nan 8.190 nan 0.000 0.480 22 G N 4.018 112.719 108.800 -0.164 0.000 2.660 22 G HA2 0.643 4.602 3.960 -0.002 0.000 0.290 22 G HA3 0.643 4.602 3.960 -0.002 0.000 0.290 22 G C -2.198 172.454 174.900 -0.413 0.000 1.432 22 G CA -0.509 44.518 45.100 -0.122 0.000 0.807 22 G HN 0.383 nan 8.290 nan 0.000 0.485 23 Y N -0.206 120.087 120.300 -0.012 0.000 2.406 23 Y HA 0.643 5.192 4.550 -0.002 0.000 0.340 23 Y C 0.483 176.319 175.900 -0.106 0.000 0.975 23 Y CA -0.659 57.412 58.100 -0.049 0.000 1.056 23 Y CB 2.574 41.000 38.460 -0.057 0.000 1.210 23 Y HN 0.808 nan 8.280 nan 0.000 0.448 24 A N 2.352 125.132 122.820 -0.067 0.000 2.320 24 A HA 0.645 4.964 4.320 -0.002 0.000 0.287 24 A C -0.860 176.609 177.584 -0.193 0.000 1.181 24 A CA -0.329 51.514 52.037 -0.323 0.000 0.831 24 A CB -0.207 18.283 19.000 -0.849 0.000 1.102 24 A HN 0.828 nan 8.150 nan 0.000 0.513 25 C N 1.789 120.992 119.300 -0.163 0.000 2.408 25 C HA 0.605 5.064 4.460 -0.002 0.000 0.321 25 C C 1.651 176.580 174.990 -0.101 0.000 1.245 25 C CA 0.135 59.095 59.018 -0.097 0.000 1.523 25 C CB 1.165 28.875 27.740 -0.051 0.000 2.178 25 C HN 0.951 nan 8.230 nan 0.000 0.488 26 T N -2.030 112.474 114.554 -0.083 0.000 3.040 26 T HA 0.196 4.545 4.350 -0.002 0.000 0.250 26 T C 0.478 175.155 174.700 -0.039 0.000 1.058 26 T CA 0.431 62.492 62.100 -0.065 0.000 0.988 26 T CB -0.137 68.696 68.868 -0.059 0.000 0.993 26 T HN 0.845 nan 8.240 nan 0.000 0.519 27 T N -1.896 112.636 114.554 -0.036 0.000 2.896 27 T HA 0.556 4.904 4.350 -0.002 0.000 0.297 27 T C -2.705 171.981 174.700 -0.023 0.000 1.108 27 T CA -1.707 60.377 62.100 -0.027 0.000 1.004 27 T CB 2.011 70.860 68.868 -0.032 0.000 1.159 27 T HN -0.339 nan 8.240 nan 0.000 0.499 28 P HA -0.015 nan 4.420 nan 0.000 0.218 28 P C 1.589 178.868 177.300 -0.035 0.000 1.149 28 P CA 0.675 63.770 63.100 -0.009 0.000 0.817 28 P CB 0.126 31.822 31.700 -0.006 0.000 0.785 29 R N 0.541 121.015 120.500 -0.043 0.000 2.081 29 R HA -0.163 4.176 4.340 -0.002 0.000 0.235 29 R C 2.016 178.266 176.300 -0.083 0.000 1.131 29 R CA 1.657 57.720 56.100 -0.060 0.000 0.960 29 R CB -0.453 29.816 30.300 -0.052 0.000 0.856 29 R HN 0.161 nan 8.270 nan 0.000 0.436 30 E N -0.242 119.912 120.200 -0.077 0.000 2.106 30 E HA -0.167 4.181 4.350 -0.002 0.000 0.192 30 E C 1.944 178.473 176.600 -0.120 0.000 0.984 30 E CA 1.092 57.432 56.400 -0.099 0.000 0.806 30 E CB -0.084 29.571 29.700 -0.076 0.000 0.750 30 E HN 0.501 nan 8.360 nan 0.000 0.458 31 A N 1.984 124.754 122.820 -0.084 0.000 1.902 31 A HA -0.253 4.066 4.320 -0.002 0.000 0.217 31 A C 2.061 179.550 177.584 -0.158 0.000 1.181 31 A CA 1.805 53.792 52.037 -0.083 0.000 0.623 31 A CB -0.565 18.428 19.000 -0.012 0.000 0.818 31 A HN 0.411 nan 8.150 nan 0.000 0.443 32 E N -0.182 119.928 120.200 -0.150 0.000 2.107 32 E HA -0.178 4.170 4.350 -0.002 0.000 0.191 32 E C 1.584 178.028 176.600 -0.260 0.000 0.982 32 E CA 1.176 57.452 56.400 -0.207 0.000 0.809 32 E CB -0.416 29.200 29.700 -0.140 0.000 0.756 32 E HN 0.711 nan 8.360 nan 0.000 0.459 33 E N 0.843 120.912 120.200 -0.218 0.000 2.268 33 E HA -0.083 4.266 4.350 -0.002 0.000 0.195 33 E C 2.034 178.436 176.600 -0.330 0.000 0.995 33 E CA 0.734 56.991 56.400 -0.237 0.000 0.836 33 E CB -0.056 29.527 29.700 -0.194 0.000 0.763 33 E HN 0.436 nan 8.360 nan 0.000 0.491 34 A N 1.402 124.003 122.820 -0.365 0.000 2.019 34 A HA -0.138 4.180 4.320 -0.002 0.000 0.219 34 A C 2.325 179.679 177.584 -0.384 0.000 1.164 34 A CA 1.458 53.229 52.037 -0.444 0.000 0.644 34 A CB -0.492 18.357 19.000 -0.252 0.000 0.805 34 A HN 0.307 nan 8.150 nan 0.000 0.449 35 A N -0.495 121.996 122.820 -0.548 0.000 1.849 35 A HA -0.145 4.174 4.320 -0.002 0.000 0.217 35 A C 2.456 179.872 177.584 -0.280 0.000 1.202 35 A CA 2.235 53.732 52.037 -0.899 0.000 0.629 35 A CB -1.070 17.126 19.000 -1.340 0.000 0.834 35 A HN 0.446 nan 8.150 nan 0.000 0.447 36 S N -0.636 114.950 115.700 -0.190 0.000 2.423 36 S HA -0.075 4.394 4.470 -0.002 0.000 0.231 36 S C 1.877 176.476 174.600 -0.002 0.000 1.014 36 S CA 1.250 59.441 58.200 -0.016 0.000 0.965 36 S CB -0.189 62.992 63.200 -0.032 0.000 0.785 36 S HN 0.564 nan 8.310 nan 0.000 0.495 37 K N 0.774 121.113 120.400 -0.102 0.000 2.097 37 K HA 0.041 4.360 4.320 -0.002 0.000 0.205 37 K C 1.785 178.460 176.600 0.125 0.000 1.050 37 K CA 1.019 57.264 56.287 -0.070 0.000 0.938 37 K CB -0.211 32.058 32.500 -0.386 0.000 0.718 37 K HN 0.367 nan 8.250 nan 0.000 0.442 38 I N -0.083 120.591 120.570 0.173 0.000 2.333 38 I HA -0.108 4.061 4.170 -0.002 0.000 0.246 38 I C 1.336 177.620 176.117 0.278 0.000 1.106 38 I CA 0.881 62.365 61.300 0.306 0.000 1.411 38 I CB -0.035 38.202 38.000 0.395 0.000 1.082 38 I HN 0.352 nan 8.210 nan 0.000 0.420 39 G N -0.079 108.917 108.800 0.327 0.000 2.265 39 G HA2 0.138 4.097 3.960 -0.002 0.000 0.246 39 G HA3 0.138 4.097 3.960 -0.002 0.000 0.246 39 G C -0.827 174.275 174.900 0.337 0.000 1.299 39 G CA -0.399 44.854 45.100 0.256 0.000 1.117 39 G HN 0.401 nan 8.290 nan 0.000 0.485 40 A N 0.207 123.105 122.820 0.131 0.000 2.477 40 A HA 0.667 4.986 4.320 -0.002 0.000 0.246 40 A C 1.327 178.693 177.584 -0.363 0.000 1.078 40 A CA 1.459 53.488 52.037 -0.012 0.000 0.770 40 A CB 0.027 18.993 19.000 -0.057 0.000 1.011 40 A HN 2.312 nan 8.150 nan 0.000 0.494 41 G N 1.649 109.872 108.800 -0.962 0.000 2.525 41 G HA2 0.496 4.455 3.960 -0.002 0.000 0.276 41 G HA3 0.496 4.455 3.960 -0.002 0.000 0.276 41 G C -1.859 172.538 174.900 -0.838 0.000 1.388 41 G CA -0.694 43.248 45.100 -1.930 0.000 1.050 41 G HN 0.703 nan 8.290 nan 0.000 0.520 42 P HA 0.169 nan 4.420 nan 0.000 0.274 42 P C -0.866 176.009 177.300 -0.708 0.000 1.260 42 P CA -0.061 62.612 63.100 -0.712 0.000 0.793 42 P CB 0.873 32.401 31.700 -0.286 0.000 1.048 43 W N -0.920 120.368 121.300 -0.020 0.000 2.819 43 W HA 0.355 5.014 4.660 -0.002 0.000 0.337 43 W C -0.964 175.519 176.519 -0.060 0.000 1.077 43 W CA -0.646 56.683 57.345 -0.027 0.000 1.226 43 W CB 2.007 31.454 29.460 -0.021 0.000 1.419 43 W HN -0.039 nan 8.180 nan 0.000 0.502 44 V N 3.538 123.541 119.914 0.149 0.000 2.465 44 V HA 0.319 4.437 4.120 -0.002 0.000 0.279 44 V C 0.148 176.225 176.094 -0.027 0.000 1.045 44 V CA -0.750 61.566 62.300 0.026 0.000 0.938 44 V CB 0.891 32.725 31.823 0.018 0.000 0.986 44 V HN 0.312 nan 8.190 nan 0.000 0.467 45 V N 2.577 122.364 119.914 -0.211 0.000 2.540 45 V HA 0.757 4.876 4.120 -0.002 0.000 0.302 45 V C -0.638 175.227 176.094 -0.382 0.000 1.035 45 V CA -0.897 61.193 62.300 -0.350 0.000 0.873 45 V CB 1.514 32.931 31.823 -0.676 0.000 0.992 45 V HN 0.893 nan 8.190 nan 0.000 0.428 46 K N 3.766 124.112 120.400 -0.091 0.000 2.507 46 K HA 0.571 4.889 4.320 -0.002 0.000 0.251 46 K C -1.065 175.597 176.600 0.104 0.000 0.943 46 K CA -0.442 55.857 56.287 0.021 0.000 0.794 46 K CB 2.020 34.528 32.500 0.013 0.000 1.188 46 K HN 0.777 nan 8.250 nan 0.000 0.428 47 C N 2.619 121.968 119.300 0.082 0.000 2.657 47 C HA 0.040 4.499 4.460 -0.002 0.000 0.420 47 C C 0.358 175.336 174.990 -0.020 0.000 1.323 47 C CA -0.218 58.770 59.018 -0.051 0.000 1.894 47 C CB -0.331 27.197 27.740 -0.353 0.000 2.681 47 C HN 0.577 nan 8.230 nan 0.000 0.613 48 Q N 2.528 122.315 119.800 -0.021 0.000 2.431 48 Q HA 0.534 4.873 4.340 -0.002 0.000 0.249 48 Q C -0.288 175.764 176.000 0.087 0.000 1.025 48 Q CA -0.033 55.792 55.803 0.036 0.000 0.835 48 Q CB 1.262 29.950 28.738 -0.084 0.000 1.207 48 Q HN 0.734 nan 8.270 nan 0.000 0.490 49 V N -1.159 118.877 119.914 0.205 0.000 3.078 49 V HA 0.421 4.540 4.120 -0.002 0.000 0.311 49 V C 0.750 176.976 176.094 0.220 0.000 1.138 49 V CA -0.774 61.644 62.300 0.196 0.000 1.007 49 V CB 1.801 33.647 31.823 0.039 0.000 1.045 49 V HN 0.793 nan 8.190 nan 0.000 0.432 50 H N 1.439 120.508 119.070 -0.001 0.000 2.389 50 H HA 0.269 4.824 4.556 -0.002 0.000 0.299 50 H C 1.548 176.825 175.328 -0.085 0.000 1.081 50 H CA 0.838 56.816 56.048 -0.116 0.000 1.345 50 H CB 0.296 29.948 29.762 -0.183 0.000 1.393 50 H HN 0.936 nan 8.280 nan 0.000 0.520 51 A N 1.223 124.070 122.820 0.046 0.000 2.406 51 A HA 0.371 4.690 4.320 -0.002 0.000 0.243 51 A C 1.019 178.554 177.584 -0.081 0.000 1.082 51 A CA 0.311 52.317 52.037 -0.052 0.000 0.786 51 A CB 0.046 18.991 19.000 -0.091 0.000 1.029 51 A HN 0.389 nan 8.150 nan 0.000 0.495 52 G N -1.392 107.312 108.800 -0.161 0.000 2.537 52 G HA2 0.551 4.509 3.960 -0.002 0.000 0.297 52 G HA3 0.551 4.509 3.960 -0.002 0.000 0.297 52 G C 0.971 175.713 174.900 -0.263 0.000 1.310 52 G CA -0.099 44.908 45.100 -0.155 0.000 1.027 52 G HN 2.255 nan 8.290 nan 0.000 0.505 53 G N -1.196 107.532 108.800 -0.120 0.000 2.160 53 G HA2 -0.274 3.684 3.960 -0.002 0.000 0.251 53 G HA3 -0.274 3.684 3.960 -0.002 0.000 0.251 53 G C 1.215 176.123 174.900 0.014 0.000 1.008 53 G CA 0.823 45.927 45.100 0.005 0.000 0.724 53 G HN 0.719 nan 8.290 nan 0.000 0.514 54 R N -0.066 120.422 120.500 -0.020 0.000 2.115 54 R HA 0.069 4.408 4.340 -0.002 0.000 0.230 54 R C 2.965 179.261 176.300 -0.006 0.000 1.111 54 R CA 1.349 57.422 56.100 -0.045 0.000 0.976 54 R CB -0.375 29.888 30.300 -0.061 0.000 0.870 54 R HN 0.417 nan 8.270 nan 0.000 0.445 55 G N 1.576 110.398 108.800 0.036 0.000 2.433 55 G HA2 -0.269 3.689 3.960 -0.002 0.000 0.216 55 G HA3 -0.269 3.689 3.960 -0.002 0.000 0.216 55 G C 1.232 176.180 174.900 0.079 0.000 1.186 55 G CA 0.540 45.674 45.100 0.057 0.000 0.779 55 G HN 0.199 nan 8.290 nan 0.000 0.543 56 K N 0.582 121.043 120.400 0.101 0.000 2.211 56 K HA -0.005 4.313 4.320 -0.002 0.000 0.204 56 K C 2.486 179.153 176.600 0.110 0.000 1.047 56 K CA 0.948 57.302 56.287 0.112 0.000 0.935 56 K CB -0.129 32.461 32.500 0.150 0.000 0.728 56 K HN 0.308 nan 8.250 nan 0.000 0.452 57 A N -0.004 122.872 122.820 0.093 0.000 2.278 57 A HA 0.234 4.553 4.320 -0.002 0.000 0.212 57 A C 1.229 178.889 177.584 0.127 0.000 1.213 57 A CA 0.754 52.848 52.037 0.096 0.000 0.840 57 A CB -0.059 18.973 19.000 0.052 0.000 0.866 57 A HN 0.396 nan 8.150 nan 0.000 0.489 58 G N -2.013 106.865 108.800 0.130 0.000 2.157 58 G HA2 -0.163 3.796 3.960 -0.002 0.000 0.248 58 G HA3 -0.163 3.796 3.960 -0.002 0.000 0.248 58 G C 1.054 176.066 174.900 0.187 0.000 0.979 58 G CA 0.300 45.539 45.100 0.232 0.000 0.650 58 G HN 1.308 nan 8.290 nan 0.000 0.529 59 G N -0.840 107.905 108.800 -0.091 0.000 3.088 59 G HA2 0.449 4.408 3.960 -0.002 0.000 0.212 59 G HA3 0.449 4.408 3.960 -0.002 0.000 0.212 59 G C 0.228 175.159 174.900 0.052 0.000 1.173 59 G CA 0.912 45.835 45.100 -0.295 0.000 0.779 59 G HN 1.117 nan 8.290 nan 0.000 0.540 60 V N 0.728 120.697 119.914 0.092 0.000 2.569 60 V HA 0.542 4.660 4.120 -0.002 0.000 0.301 60 V C -1.003 175.094 176.094 0.004 0.000 1.044 60 V CA -1.014 61.293 62.300 0.012 0.000 0.874 60 V CB 2.062 33.891 31.823 0.010 0.000 1.002 60 V HN -0.032 nan 8.190 nan 0.000 0.424 61 K N 2.915 123.221 120.400 -0.157 0.000 2.477 61 K HA 0.707 5.026 4.320 -0.002 0.000 0.255 61 K C -1.333 175.191 176.600 -0.126 0.000 0.952 61 K CA -0.748 55.475 56.287 -0.106 0.000 0.826 61 K CB 2.900 35.343 32.500 -0.096 0.000 1.331 61 K HN 0.355 nan 8.250 nan 0.000 0.437 62 V N 2.417 122.307 119.914 -0.039 0.000 2.347 62 V HA 0.393 4.512 4.120 -0.002 0.000 0.280 62 V C 0.044 176.144 176.094 0.009 0.000 1.021 62 V CA -0.855 61.433 62.300 -0.020 0.000 0.847 62 V CB 1.349 33.164 31.823 -0.014 0.000 0.990 62 V HN 0.559 nan 8.190 nan 0.000 0.444 63 V N 2.534 122.480 119.914 0.053 0.000 3.019 63 V HA 0.746 4.865 4.120 -0.002 0.000 0.317 63 V C 0.093 176.284 176.094 0.161 0.000 1.094 63 V CA -0.705 61.662 62.300 0.112 0.000 1.000 63 V CB 2.270 34.176 31.823 0.139 0.000 1.060 63 V HN 0.834 nan 8.190 nan 0.000 0.443 64 N N -0.109 118.685 118.700 0.157 0.000 2.299 64 N HA 0.302 5.040 4.740 -0.002 0.000 0.246 64 N C -0.254 175.447 175.510 0.318 0.000 1.254 64 N CA 0.290 53.391 53.050 0.085 0.000 0.879 64 N CB 0.513 38.972 38.487 -0.047 0.000 1.214 64 N HN 1.051 nan 8.380 nan 0.000 0.510 65 S N -1.257 114.722 115.700 0.465 0.000 2.536 65 S HA 0.405 4.874 4.470 -0.002 0.000 0.271 65 S C 0.367 175.091 174.600 0.206 0.000 1.134 65 S CA -0.864 57.564 58.200 0.381 0.000 0.897 65 S CB 2.187 65.498 63.200 0.185 0.000 1.094 65 S HN 0.025 nan 8.310 nan 0.000 0.473 66 K N 1.203 121.623 120.400 0.034 0.000 2.074 66 K HA -0.191 4.128 4.320 -0.002 0.000 0.209 66 K C 1.402 177.972 176.600 -0.050 0.000 1.048 66 K CA 2.209 58.402 56.287 -0.158 0.000 0.926 66 K CB -0.284 32.126 32.500 -0.152 0.000 0.713 66 K HN 0.673 nan 8.250 nan 0.000 0.444 67 E N 1.046 121.253 120.200 0.012 0.000 2.085 67 E HA -0.191 4.157 4.350 -0.002 0.000 0.194 67 E C 1.599 178.230 176.600 0.052 0.000 0.994 67 E CA 1.499 57.915 56.400 0.026 0.000 0.801 67 E CB -0.212 29.510 29.700 0.037 0.000 0.743 67 E HN 0.274 nan 8.360 nan 0.000 0.453 68 D N -0.194 120.257 120.400 0.084 0.000 2.183 68 D HA -0.027 4.612 4.640 -0.002 0.000 0.203 68 D C 1.968 178.352 176.300 0.140 0.000 0.969 68 D CA 0.497 54.568 54.000 0.119 0.000 0.842 68 D CB -0.091 40.792 40.800 0.138 0.000 0.957 68 D HN 0.187 nan 8.370 nan 0.000 0.484 69 I N 0.771 121.390 120.570 0.081 0.000 2.142 69 I HA -0.281 3.888 4.170 -0.002 0.000 0.240 69 I C 2.615 178.799 176.117 0.112 0.000 1.078 69 I CA 1.036 62.369 61.300 0.056 0.000 1.343 69 I CB -0.177 37.758 38.000 -0.109 0.000 1.046 69 I HN -0.059 nan 8.210 nan 0.000 0.405 70 R N 1.459 121.985 120.500 0.043 0.000 2.091 70 R HA -0.199 4.140 4.340 -0.002 0.000 0.238 70 R C 2.306 178.650 176.300 0.073 0.000 1.136 70 R CA 1.853 57.977 56.100 0.040 0.000 0.959 70 R CB -0.374 29.926 30.300 -0.001 0.000 0.856 70 R HN 0.351 nan 8.270 nan 0.000 0.437 71 A N 0.268 123.141 122.820 0.088 0.000 1.902 71 A HA -0.172 4.146 4.320 -0.002 0.000 0.217 71 A C 2.073 179.723 177.584 0.111 0.000 1.181 71 A CA 1.376 53.458 52.037 0.075 0.000 0.623 71 A CB -0.855 18.191 19.000 0.077 0.000 0.818 71 A HN 0.570 nan 8.150 nan 0.000 0.443 72 F N 0.948 120.934 119.950 0.060 0.000 2.102 72 F HA -0.047 4.479 4.527 -0.002 0.000 0.298 72 F C 2.506 178.410 175.800 0.174 0.000 1.105 72 F CA 1.277 59.362 58.000 0.143 0.000 1.239 72 F CB -0.391 38.721 39.000 0.187 0.000 0.991 72 F HN 0.247 nan 8.300 nan 0.000 0.474 73 A N -0.058 122.952 122.820 0.316 0.000 1.902 73 A HA -0.224 4.095 4.320 -0.002 0.000 0.217 73 A C 2.140 179.745 177.584 0.035 0.000 1.181 73 A CA 1.945 54.094 52.037 0.186 0.000 0.623 73 A CB -0.969 18.120 19.000 0.147 0.000 0.818 73 A HN 0.548 nan 8.150 nan 0.000 0.443 74 E N -0.724 119.475 120.200 -0.001 0.000 2.110 74 E HA -0.209 4.140 4.350 -0.002 0.000 0.193 74 E C 1.993 178.506 176.600 -0.145 0.000 0.988 74 E CA 1.137 57.503 56.400 -0.056 0.000 0.804 74 E CB -0.142 29.529 29.700 -0.047 0.000 0.745 74 E HN 0.671 nan 8.360 nan 0.000 0.458 75 N N -0.489 118.066 118.700 -0.242 0.000 2.142 75 N HA -0.158 4.581 4.740 -0.002 0.000 0.186 75 N C 1.065 176.191 175.510 -0.640 0.000 1.023 75 N CA 1.358 54.108 53.050 -0.501 0.000 0.852 75 N CB -0.046 38.016 38.487 -0.707 0.000 0.998 75 N HN 0.198 nan 8.380 nan 0.000 0.424 76 W N 0.123 121.232 121.300 -0.317 0.000 2.683 76 W HA 0.377 5.035 4.660 -0.002 0.000 0.267 76 W C 0.025 176.452 176.519 -0.153 0.000 1.243 76 W CA -0.680 56.502 57.345 -0.272 0.000 1.380 76 W CB -0.089 29.119 29.460 -0.420 0.000 1.063 76 W HN -0.141 nan 8.180 nan 0.000 0.599 77 L N 1.717 122.992 121.223 0.087 0.000 2.559 77 L HA 0.115 4.453 4.340 -0.002 0.000 0.274 77 L C 1.532 178.417 176.870 0.025 0.000 1.205 77 L CA 1.342 56.211 54.840 0.049 0.000 0.907 77 L CB -0.238 41.833 42.059 0.020 0.000 1.153 77 L HN 0.475 nan 8.230 nan 0.000 0.490 78 G N 2.149 110.968 108.800 0.032 0.000 2.179 78 G HA2 -0.306 3.653 3.960 -0.002 0.000 0.260 78 G HA3 -0.306 3.653 3.960 -0.002 0.000 0.260 78 G C 0.249 175.166 174.900 0.028 0.000 0.977 78 G CA 0.485 45.597 45.100 0.019 0.000 0.641 78 G HN 0.613 nan 8.290 nan 0.000 0.533 79 K N 0.202 120.639 120.400 0.061 0.000 2.168 79 K HA 0.696 5.015 4.320 -0.002 0.000 0.239 79 K C 0.276 176.959 176.600 0.139 0.000 0.999 79 K CA -1.043 55.288 56.287 0.073 0.000 0.900 79 K CB 0.767 33.283 32.500 0.027 0.000 1.111 79 K HN 0.209 nan 8.250 nan 0.000 0.452 80 R N 1.588 122.170 120.500 0.137 0.000 2.407 80 R HA 0.334 4.673 4.340 -0.002 0.000 0.303 80 R C -0.945 175.482 176.300 0.211 0.000 0.981 80 R CA -0.989 55.190 56.100 0.133 0.000 0.905 80 R CB 1.051 31.400 30.300 0.081 0.000 1.099 80 R HN 0.354 nan 8.270 nan 0.000 0.459 81 L N 3.460 124.760 121.223 0.129 0.000 2.272 81 L HA 0.333 4.672 4.340 -0.002 0.000 0.289 81 L C -0.952 175.942 176.870 0.040 0.000 1.032 81 L CA -0.447 54.433 54.840 0.067 0.000 0.810 81 L CB 1.713 43.662 42.059 -0.184 0.000 1.205 81 L HN 0.310 nan 8.230 nan 0.000 0.422 82 V N 4.655 124.616 119.914 0.078 0.000 2.439 82 V HA 0.709 4.828 4.120 -0.002 0.000 0.282 82 V C 0.431 176.548 176.094 0.038 0.000 1.039 82 V CA 0.021 62.354 62.300 0.055 0.000 0.913 82 V CB 1.448 33.317 31.823 0.078 0.000 0.983 82 V HN 0.966 nan 8.190 nan 0.000 0.460 83 T N 1.101 115.660 114.554 0.007 0.000 2.838 83 T HA 0.413 4.762 4.350 -0.002 0.000 0.292 83 T C 0.542 175.253 174.700 0.018 0.000 1.113 83 T CA -0.323 61.776 62.100 -0.001 0.000 1.008 83 T CB 1.294 70.099 68.868 -0.106 0.000 1.259 83 T HN 0.615 nan 8.240 nan 0.000 0.520 84 Y N -0.181 120.132 120.300 0.021 0.000 2.639 84 Y HA 0.239 4.788 4.550 -0.002 0.000 0.297 84 Y C 1.822 177.731 175.900 0.015 0.000 1.151 84 Y CA 0.623 58.734 58.100 0.018 0.000 1.335 84 Y CB -0.553 37.917 38.460 0.017 0.000 0.994 84 Y HN 0.616 nan 8.280 nan 0.000 0.548 85 Q N 0.813 120.364 119.800 -0.415 0.000 2.247 85 Q HA 0.148 4.487 4.340 -0.002 0.000 0.211 85 Q C 0.360 176.281 176.000 -0.133 0.000 0.861 85 Q CA 0.484 56.092 55.803 -0.325 0.000 0.949 85 Q CB 0.659 29.098 28.738 -0.498 0.000 1.115 85 Q HN 0.587 nan 8.270 nan 0.000 0.507 86 T N -1.742 112.763 114.554 -0.081 0.000 2.938 86 T HA 0.355 4.704 4.350 -0.002 0.000 0.285 86 T C -0.131 174.569 174.700 0.000 0.000 1.028 86 T CA -0.939 61.142 62.100 -0.032 0.000 1.005 86 T CB 1.614 70.470 68.868 -0.020 0.000 1.157 86 T HN 0.029 nan 8.240 nan 0.000 0.550 87 D N 0.007 120.414 120.400 0.012 0.000 2.433 87 D HA 0.440 5.079 4.640 -0.002 0.000 0.255 87 D C 1.534 177.853 176.300 0.032 0.000 1.226 87 D CA -0.334 53.680 54.000 0.024 0.000 1.015 87 D CB 0.037 40.852 40.800 0.024 0.000 1.091 87 D HN 0.665 nan 8.370 nan 0.000 0.527 88 A N -0.310 122.532 122.820 0.036 0.000 2.234 88 A HA -0.190 4.129 4.320 -0.002 0.000 0.216 88 A C 1.661 179.270 177.584 0.042 0.000 1.167 88 A CA 1.266 53.328 52.037 0.041 0.000 0.698 88 A CB -1.045 17.979 19.000 0.039 0.000 0.779 88 A HN 0.572 nan 8.150 nan 0.000 0.475 89 N N -1.087 117.636 118.700 0.038 0.000 2.353 89 N HA 0.316 5.055 4.740 -0.002 0.000 0.185 89 N C 0.960 176.495 175.510 0.042 0.000 1.098 89 N CA 1.097 54.171 53.050 0.040 0.000 0.872 89 N CB 0.218 38.728 38.487 0.038 0.000 0.970 89 N HN 0.620 nan 8.380 nan 0.000 0.467 90 G N 0.212 109.034 108.800 0.038 0.000 2.692 90 G HA2 -0.282 3.676 3.960 -0.002 0.000 0.248 90 G HA3 -0.282 3.676 3.960 -0.002 0.000 0.248 90 G C -0.701 174.215 174.900 0.026 0.000 1.340 90 G CA -0.437 44.683 45.100 0.034 0.000 0.896 90 G HN 0.323 nan 8.290 nan 0.000 0.570 91 Q N 0.536 120.348 119.800 0.020 0.000 2.375 91 Q HA 0.522 4.861 4.340 -0.002 0.000 0.271 91 Q C -2.379 173.634 176.000 0.023 0.000 1.074 91 Q CA -1.801 54.008 55.803 0.011 0.000 0.808 91 Q CB 3.234 31.967 28.738 -0.008 0.000 1.327 91 Q HN 0.565 nan 8.270 nan 0.000 0.441 92 P HA 0.014 nan 4.420 nan 0.000 0.271 92 P C -0.740 176.574 177.300 0.023 0.000 1.216 92 P CA -0.024 63.095 63.100 0.031 0.000 0.771 92 P CB 0.794 32.508 31.700 0.022 0.000 0.864 93 V N 4.929 124.866 119.914 0.038 0.000 2.333 93 V HA 0.199 4.318 4.120 -0.002 0.000 0.274 93 V C 1.130 177.228 176.094 0.007 0.000 1.028 93 V CA -0.095 62.214 62.300 0.015 0.000 0.851 93 V CB 0.303 32.158 31.823 0.055 0.000 1.000 93 V HN 0.555 nan 8.190 nan 0.000 0.456 94 N N 3.415 122.091 118.700 -0.039 0.000 2.171 94 N HA 0.176 4.915 4.740 -0.002 0.000 0.212 94 N C 0.058 175.516 175.510 -0.086 0.000 1.184 94 N CA 0.021 53.045 53.050 -0.044 0.000 0.888 94 N CB 1.532 39.999 38.487 -0.034 0.000 1.038 94 N HN 0.616 nan 8.380 nan 0.000 0.517 95 Q N 0.292 120.016 119.800 -0.127 0.000 2.340 95 Q HA 0.491 4.830 4.340 -0.002 0.000 0.276 95 Q C -1.381 174.553 176.000 -0.110 0.000 1.048 95 Q CA -0.353 55.341 55.803 -0.181 0.000 0.832 95 Q CB 2.742 31.259 28.738 -0.369 0.000 1.373 95 Q HN -0.034 nan 8.270 nan 0.000 0.409 96 I N 2.708 123.239 120.570 -0.065 0.000 2.406 96 I HA 0.332 4.501 4.170 -0.002 0.000 0.290 96 I C -0.958 175.147 176.117 -0.020 0.000 0.999 96 I CA -0.827 60.498 61.300 0.042 0.000 1.124 96 I CB 1.344 39.434 38.000 0.150 0.000 1.289 96 I HN 0.550 nan 8.210 nan 0.000 0.441 97 L N 8.436 129.661 121.223 0.003 0.000 2.276 97 L HA 0.511 4.850 4.340 -0.002 0.000 0.286 97 L C -0.642 176.243 176.870 0.025 0.000 1.061 97 L CA -0.100 54.739 54.840 -0.001 0.000 0.807 97 L CB 1.372 43.456 42.059 0.042 0.000 1.177 97 L HN 0.294 nan 8.230 nan 0.000 0.429 98 V N 5.916 125.858 119.914 0.047 0.000 2.378 98 V HA 0.539 4.658 4.120 -0.002 0.000 0.288 98 V C -0.291 175.877 176.094 0.123 0.000 1.016 98 V CA -0.520 61.817 62.300 0.062 0.000 0.840 98 V CB 1.135 32.972 31.823 0.023 0.000 0.994 98 V HN 0.909 nan 8.190 nan 0.000 0.431 99 E N 3.873 124.151 120.200 0.130 0.000 2.392 99 E HA 0.865 5.214 4.350 -0.002 0.000 0.269 99 E C -0.445 176.276 176.600 0.201 0.000 0.924 99 E CA -1.151 55.337 56.400 0.147 0.000 0.784 99 E CB 2.114 31.864 29.700 0.083 0.000 1.292 99 E HN 0.625 nan 8.360 nan 0.000 0.447 100 A N 0.954 123.882 122.820 0.180 0.000 2.483 100 A HA 0.459 4.778 4.320 -0.002 0.000 0.238 100 A C 0.432 178.057 177.584 0.069 0.000 1.070 100 A CA 0.287 52.413 52.037 0.147 0.000 0.770 100 A CB -0.065 18.998 19.000 0.105 0.000 1.008 100 A HN 0.723 nan 8.150 nan 0.000 0.497 101 A N 1.916 124.738 122.820 0.004 0.000 2.386 101 A HA 0.562 4.881 4.320 -0.002 0.000 0.248 101 A C 0.541 178.118 177.584 -0.012 0.000 1.082 101 A CA 0.295 52.318 52.037 -0.023 0.000 0.789 101 A CB -0.008 18.939 19.000 -0.089 0.000 1.025 101 A HN 0.898 nan 8.150 nan 0.000 0.490 102 T N 1.660 116.212 114.554 -0.005 0.000 2.824 102 T HA 0.363 4.712 4.350 -0.002 0.000 0.282 102 T C -1.147 173.550 174.700 -0.004 0.000 0.993 102 T CA -0.496 61.605 62.100 0.002 0.000 0.967 102 T CB 1.083 69.960 68.868 0.015 0.000 0.960 102 T HN 0.584 nan 8.240 nan 0.000 0.441 103 D N 3.265 123.663 120.400 -0.005 0.000 2.374 103 D HA 0.201 4.840 4.640 -0.002 0.000 0.240 103 D C 0.217 176.519 176.300 0.004 0.000 1.229 103 D CA -0.019 53.978 54.000 -0.005 0.000 0.895 103 D CB 0.619 41.415 40.800 -0.008 0.000 1.046 103 D HN 0.464 nan 8.370 nan 0.000 0.498 104 I N 2.020 122.594 120.570 0.007 0.000 2.379 104 I HA 0.076 4.245 4.170 -0.002 0.000 0.290 104 I C 1.373 177.498 176.117 0.014 0.000 1.063 104 I CA -0.257 61.051 61.300 0.014 0.000 1.351 104 I CB 1.322 39.333 38.000 0.018 0.000 1.410 104 I HN 0.327 nan 8.210 nan 0.000 0.505 105 A N 6.613 129.443 122.820 0.016 0.000 1.901 105 A HA 0.149 4.468 4.320 -0.002 0.000 0.210 105 A C 0.939 178.536 177.584 0.020 0.000 1.208 105 A CA 0.816 52.862 52.037 0.016 0.000 0.644 105 A CB 0.319 19.328 19.000 0.015 0.000 0.863 105 A HN 0.685 nan 8.150 nan 0.000 0.454 106 K N 0.037 120.452 120.400 0.025 0.000 2.527 106 K HA 0.399 4.718 4.320 -0.002 0.000 0.260 106 K C -1.792 174.832 176.600 0.040 0.000 0.937 106 K CA -0.427 55.879 56.287 0.031 0.000 0.826 106 K CB 1.660 34.177 32.500 0.029 0.000 1.359 106 K HN 0.289 nan 8.250 nan 0.000 0.434 107 E N 3.838 124.066 120.200 0.046 0.000 2.133 107 E HA 0.348 4.697 4.350 -0.002 0.000 0.274 107 E C -0.691 175.956 176.600 0.078 0.000 0.930 107 E CA -0.548 55.887 56.400 0.059 0.000 0.770 107 E CB 1.456 31.192 29.700 0.059 0.000 1.104 107 E HN 0.327 nan 8.360 nan 0.000 0.403 108 L N 2.055 123.335 121.223 0.094 0.000 2.271 108 L HA 0.568 4.907 4.340 -0.002 0.000 0.265 108 L C -0.877 176.096 176.870 0.172 0.000 1.013 108 L CA -1.301 53.617 54.840 0.130 0.000 0.820 108 L CB 0.979 43.118 42.059 0.134 0.000 1.352 108 L HN 0.515 nan 8.230 nan 0.000 0.443 109 Y N 1.236 121.587 120.300 0.086 0.000 2.376 109 Y HA 0.687 5.236 4.550 -0.002 0.000 0.340 109 Y C -1.424 174.554 175.900 0.129 0.000 0.965 109 Y CA -0.906 57.244 58.100 0.083 0.000 1.078 109 Y CB 1.782 40.273 38.460 0.051 0.000 1.193 109 Y HN 0.373 nan 8.280 nan 0.000 0.452 110 L N 5.696 126.653 121.223 -0.444 0.000 2.464 110 L HA 0.965 5.304 4.340 -0.002 0.000 0.266 110 L C -0.881 175.756 176.870 -0.390 0.000 0.965 110 L CA -0.063 54.711 54.840 -0.110 0.000 0.833 110 L CB 2.034 44.107 42.059 0.023 0.000 1.296 110 L HN 0.797 nan 8.230 nan 0.000 0.405 111 G N 2.610 111.366 108.800 -0.073 0.000 2.687 111 G HA2 0.934 4.893 3.960 -0.002 0.000 0.291 111 G HA3 0.934 4.893 3.960 -0.002 0.000 0.291 111 G C -2.100 172.647 174.900 -0.254 0.000 1.420 111 G CA -0.196 44.827 45.100 -0.129 0.000 0.796 111 G HN 1.089 nan 8.290 nan 0.000 0.485 112 A N -1.160 121.430 122.820 -0.383 0.000 2.589 112 A HA 0.945 5.264 4.320 -0.002 0.000 0.296 112 A C -0.678 176.771 177.584 -0.225 0.000 1.062 112 A CA -0.010 51.600 52.037 -0.711 0.000 0.686 112 A CB 1.477 19.314 19.000 -1.938 0.000 1.282 112 A HN 2.313 nan 8.150 nan 0.000 0.404 113 V N -1.586 118.202 119.914 -0.211 0.000 3.202 113 V HA 0.838 4.957 4.120 -0.002 0.000 0.306 113 V C -0.780 175.292 176.094 -0.037 0.000 1.283 113 V CA -0.932 61.387 62.300 0.031 0.000 1.065 113 V CB 1.381 33.215 31.823 0.018 0.000 1.079 113 V HN 0.977 nan 8.190 nan 0.000 0.448 114 V N 2.415 122.394 119.914 0.108 0.000 2.408 114 V HA 0.315 4.434 4.120 -0.002 0.000 0.267 114 V C -0.055 176.051 176.094 0.019 0.000 1.047 114 V CA 0.201 62.538 62.300 0.062 0.000 0.937 114 V CB 0.749 32.648 31.823 0.126 0.000 0.999 114 V HN 1.004 nan 8.190 nan 0.000 0.472 115 D N 5.224 125.620 120.400 -0.006 0.000 2.316 115 D HA 0.165 4.804 4.640 -0.002 0.000 0.245 115 D C 1.155 177.460 176.300 0.008 0.000 1.171 115 D CA -0.264 53.735 54.000 -0.001 0.000 0.856 115 D CB 0.964 41.761 40.800 -0.006 0.000 1.090 115 D HN 0.415 nan 8.370 nan 0.000 0.476 116 R N 2.247 122.752 120.500 0.009 0.000 2.153 116 R HA -0.076 4.263 4.340 -0.002 0.000 0.218 116 R C 1.922 178.228 176.300 0.010 0.000 1.072 116 R CA 0.399 56.505 56.100 0.011 0.000 0.990 116 R CB -0.027 30.279 30.300 0.008 0.000 0.889 116 R HN 0.367 nan 8.270 nan 0.000 0.452 117 S N 0.810 116.515 115.700 0.008 0.000 2.357 117 S HA -0.106 4.363 4.470 -0.002 0.000 0.221 117 S C 1.978 176.584 174.600 0.011 0.000 1.031 117 S CA 1.725 59.929 58.200 0.008 0.000 0.982 117 S CB -0.012 63.192 63.200 0.006 0.000 0.853 117 S HN 0.426 nan 8.310 nan 0.000 0.458 118 S N 0.435 116.142 115.700 0.012 0.000 2.528 118 S HA 0.244 4.713 4.470 -0.002 0.000 0.219 118 S C 0.583 175.194 174.600 0.018 0.000 0.985 118 S CA 0.035 58.245 58.200 0.016 0.000 0.914 118 S CB -0.409 62.802 63.200 0.019 0.000 0.776 118 S HN 0.613 nan 8.310 nan 0.000 0.526 119 R N 0.811 121.321 120.500 0.016 0.000 3.332 119 R HA -0.088 4.251 4.340 -0.002 0.000 0.263 119 R C -0.855 175.458 176.300 0.021 0.000 1.053 119 R CA 0.457 56.569 56.100 0.020 0.000 0.705 119 R CB -1.473 28.839 30.300 0.021 0.000 1.166 119 R HN 0.361 nan 8.270 nan 0.000 0.427 120 R N -0.580 119.928 120.500 0.014 0.000 2.774 120 R HA 0.429 4.768 4.340 -0.002 0.000 0.272 120 R C -0.432 175.852 176.300 -0.027 0.000 1.000 120 R CA -1.073 55.031 56.100 0.007 0.000 0.906 120 R CB 1.424 31.733 30.300 0.015 0.000 1.227 120 R HN -0.037 nan 8.270 nan 0.000 0.468 121 V N 1.919 121.791 119.914 -0.070 0.000 2.488 121 V HA 0.228 4.346 4.120 -0.002 0.000 0.277 121 V C 0.072 176.079 176.094 -0.145 0.000 1.046 121 V CA -0.310 61.846 62.300 -0.240 0.000 0.986 121 V CB 1.359 32.934 31.823 -0.413 0.000 0.989 121 V HN 0.342 nan 8.190 nan 0.000 0.475 122 V N 6.135 125.948 119.914 -0.168 0.000 2.487 122 V HA 0.477 4.596 4.120 -0.002 0.000 0.298 122 V C -0.487 175.559 176.094 -0.081 0.000 1.028 122 V CA -0.590 61.693 62.300 -0.029 0.000 0.860 122 V CB 1.688 33.504 31.823 -0.011 0.000 0.991 122 V HN 0.634 nan 8.190 nan 0.000 0.427 123 F N 4.770 124.723 119.950 0.004 0.000 2.385 123 F HA 0.693 5.218 4.527 -0.002 0.000 0.336 123 F C 0.352 176.217 175.800 0.108 0.000 1.100 123 F CA -0.309 57.736 58.000 0.076 0.000 1.116 123 F CB 1.662 40.804 39.000 0.237 0.000 1.166 123 F HN 0.275 nan 8.300 nan 0.000 0.511 124 M N 3.445 123.197 119.600 0.254 0.000 2.327 124 M HA 0.695 5.174 4.480 -0.002 0.000 0.298 124 M C -0.920 175.596 176.300 0.360 0.000 1.065 124 M CA -0.509 54.936 55.300 0.241 0.000 0.916 124 M CB 2.295 34.998 32.600 0.171 0.000 1.630 124 M HN 0.587 nan 8.290 nan 0.000 0.442 125 A N 1.725 124.739 122.820 0.323 0.000 2.454 125 A HA 0.966 5.285 4.320 -0.002 0.000 0.302 125 A C -1.009 176.730 177.584 0.259 0.000 1.079 125 A CA -0.674 51.583 52.037 0.367 0.000 0.731 125 A CB 2.095 21.307 19.000 0.354 0.000 1.299 125 A HN 0.719 nan 8.150 nan 0.000 0.413 126 S N -0.823 115.033 115.700 0.259 0.000 2.547 126 S HA 0.519 4.988 4.470 -0.002 0.000 0.270 126 S C 0.633 175.315 174.600 0.137 0.000 1.150 126 S CA 0.358 58.639 58.200 0.135 0.000 0.850 126 S CB 1.148 64.355 63.200 0.010 0.000 1.118 126 S HN 1.541 nan 8.310 nan 0.000 0.461 127 T N 0.073 114.680 114.554 0.089 0.000 3.113 127 T HA 0.193 4.542 4.350 -0.002 0.000 0.256 127 T C 0.268 175.005 174.700 0.061 0.000 1.131 127 T CA 0.370 62.512 62.100 0.071 0.000 1.074 127 T CB -0.203 68.698 68.868 0.056 0.000 0.944 127 T HN 0.499 nan 8.240 nan 0.000 0.516 128 E N 2.485 122.711 120.200 0.044 0.000 2.515 128 E HA 0.337 4.686 4.350 -0.002 0.000 0.315 128 E C 0.797 177.441 176.600 0.073 0.000 1.523 128 E CA -0.281 56.135 56.400 0.027 0.000 1.704 128 E CB -0.255 29.425 29.700 -0.034 0.000 1.395 128 E HN 0.630 nan 8.360 nan 0.000 0.490 129 G N -0.868 107.999 108.800 0.111 0.000 2.572 129 G HA2 0.389 4.348 3.960 -0.002 0.000 0.261 129 G HA3 0.389 4.348 3.960 -0.002 0.000 0.261 129 G C 0.942 175.908 174.900 0.110 0.000 1.197 129 G CA -0.009 45.183 45.100 0.154 0.000 0.870 129 G HN 0.372 nan 8.290 nan 0.000 0.548 130 G N -2.052 106.824 108.800 0.127 0.000 2.159 130 G HA2 -0.127 3.832 3.960 -0.002 0.000 0.256 130 G HA3 -0.127 3.832 3.960 -0.002 0.000 0.256 130 G C 0.103 175.053 174.900 0.083 0.000 0.977 130 G CA 0.489 45.646 45.100 0.095 0.000 0.652 130 G HN 1.300 nan 8.290 nan 0.000 0.531 131 V N 0.334 120.299 119.914 0.084 0.000 2.823 131 V HA 0.565 4.683 4.120 -0.002 0.000 0.312 131 V C 0.023 176.147 176.094 0.049 0.000 1.072 131 V CA -1.387 60.941 62.300 0.046 0.000 0.937 131 V CB 1.993 33.820 31.823 0.007 0.000 1.013 131 V HN 0.211 nan 8.190 nan 0.000 0.430 132 E N 2.612 122.833 120.200 0.036 0.000 2.366 132 E HA 0.093 4.442 4.350 -0.002 0.000 0.266 132 E C 0.963 177.531 176.600 -0.053 0.000 1.015 132 E CA 0.116 56.540 56.400 0.040 0.000 0.906 132 E CB 0.957 30.697 29.700 0.065 0.000 0.979 132 E HN 0.601 nan 8.360 nan 0.000 0.443 133 I N 2.793 123.290 120.570 -0.122 0.000 2.361 133 I HA -0.270 3.899 4.170 -0.002 0.000 0.251 133 I C 1.856 177.854 176.117 -0.199 0.000 1.133 133 I CA 1.366 62.468 61.300 -0.329 0.000 1.413 133 I CB 0.087 37.676 38.000 -0.685 0.000 1.073 133 I HN 0.618 nan 8.210 nan 0.000 0.424 134 E N 0.899 121.039 120.200 -0.100 0.000 2.110 134 E HA -0.302 4.047 4.350 -0.002 0.000 0.193 134 E C 2.269 178.824 176.600 -0.075 0.000 0.988 134 E CA 1.363 57.722 56.400 -0.068 0.000 0.804 134 E CB -0.039 29.649 29.700 -0.020 0.000 0.745 134 E HN 0.384 nan 8.360 nan 0.000 0.458 135 K N 0.134 120.490 120.400 -0.073 0.000 2.031 135 K HA -0.100 4.219 4.320 -0.002 0.000 0.205 135 K C 2.037 178.581 176.600 -0.094 0.000 1.049 135 K CA 1.192 57.435 56.287 -0.073 0.000 0.939 135 K CB 0.043 32.504 32.500 -0.064 0.000 0.717 135 K HN 0.042 nan 8.250 nan 0.000 0.438 136 V N 1.715 121.554 119.914 -0.124 0.000 2.332 136 V HA -0.255 3.863 4.120 -0.002 0.000 0.248 136 V C 2.521 178.517 176.094 -0.165 0.000 1.055 136 V CA 2.012 64.220 62.300 -0.154 0.000 1.038 136 V CB -0.745 30.959 31.823 -0.198 0.000 0.651 136 V HN 0.492 nan 8.190 nan 0.000 0.450 137 A N -0.909 121.816 122.820 -0.158 0.000 1.933 137 A HA -0.229 4.090 4.320 -0.002 0.000 0.218 137 A C 2.336 179.862 177.584 -0.095 0.000 1.175 137 A CA 1.800 53.756 52.037 -0.135 0.000 0.628 137 A CB -0.407 18.521 19.000 -0.120 0.000 0.814 137 A HN 0.513 nan 8.150 nan 0.000 0.444 138 E N -0.139 120.013 120.200 -0.079 0.000 2.072 138 E HA -0.151 4.198 4.350 -0.002 0.000 0.190 138 E C 1.863 178.435 176.600 -0.048 0.000 0.982 138 E CA 1.442 57.809 56.400 -0.054 0.000 0.803 138 E CB -0.035 29.637 29.700 -0.047 0.000 0.755 138 E HN 0.803 nan 8.360 nan 0.000 0.453 139 E N -0.637 119.527 120.200 -0.061 0.000 2.166 139 E HA -0.016 4.333 4.350 -0.002 0.000 0.192 139 E C 0.602 177.173 176.600 -0.049 0.000 0.967 139 E CA 0.999 57.372 56.400 -0.045 0.000 0.840 139 E CB 0.435 30.108 29.700 -0.045 0.000 0.795 139 E HN 0.091 nan 8.360 nan 0.000 0.470 140 T N -1.199 113.277 114.554 -0.130 0.000 3.418 140 T HA 0.197 4.546 4.350 -0.002 0.000 0.315 140 T C -2.367 172.082 174.700 -0.418 0.000 1.447 140 T CA -1.617 60.316 62.100 -0.279 0.000 1.641 140 T CB 1.091 69.756 68.868 -0.338 0.000 0.904 140 T HN -0.188 nan 8.240 nan 0.000 0.640 141 P HA -0.221 nan 4.420 nan 0.000 0.218 141 P C 1.545 178.719 177.300 -0.211 0.000 1.148 141 P CA 1.446 64.447 63.100 -0.164 0.000 0.822 141 P CB -0.219 31.453 31.700 -0.047 0.000 0.784 142 H N -0.719 118.302 119.070 -0.082 0.000 2.561 142 H HA 0.053 4.608 4.556 -0.002 0.000 0.278 142 H C 1.692 176.913 175.328 -0.178 0.000 1.014 142 H CA 0.367 56.363 56.048 -0.087 0.000 1.211 142 H CB -1.143 28.599 29.762 -0.033 0.000 1.365 142 H HN 0.199 nan 8.280 nan 0.000 0.594 143 L N 0.905 121.765 121.223 -0.605 0.000 2.599 143 L HA 0.192 4.531 4.340 -0.002 0.000 0.230 143 L C 0.499 177.050 176.870 -0.533 0.000 1.141 143 L CA 0.183 54.744 54.840 -0.465 0.000 0.877 143 L CB 0.096 41.931 42.059 -0.374 0.000 1.009 143 L HN 0.134 nan 8.230 nan 0.000 0.447 144 I N -0.222 120.051 120.570 -0.495 0.000 2.330 144 I HA 0.203 4.372 4.170 -0.002 0.000 0.289 144 I C -0.256 175.622 176.117 -0.398 0.000 1.001 144 I CA -0.507 60.568 61.300 -0.376 0.000 1.193 144 I CB 0.986 38.852 38.000 -0.224 0.000 1.345 144 I HN 0.008 nan 8.210 nan 0.000 0.461 145 H N 6.266 125.349 119.070 0.022 0.000 2.458 145 H HA 0.547 5.102 4.556 -0.002 0.000 0.330 145 H C -0.685 174.676 175.328 0.056 0.000 1.111 145 H CA -0.651 55.415 56.048 0.031 0.000 1.245 145 H CB 1.664 31.436 29.762 0.016 0.000 1.456 145 H HN 0.448 nan 8.280 nan 0.000 0.488 146 K N 1.441 121.939 120.400 0.162 0.000 2.426 146 K HA 0.567 4.886 4.320 -0.002 0.000 0.251 146 K C -0.899 175.760 176.600 0.098 0.000 0.941 146 K CA -1.027 55.335 56.287 0.125 0.000 0.808 146 K CB 3.081 35.630 32.500 0.083 0.000 1.265 146 K HN 0.370 nan 8.250 nan 0.000 0.432 147 V N -1.794 118.183 119.914 0.105 0.000 2.760 147 V HA 0.842 4.961 4.120 -0.002 0.000 0.309 147 V C -0.859 175.302 176.094 0.111 0.000 1.077 147 V CA -1.073 61.264 62.300 0.060 0.000 0.910 147 V CB 1.591 33.375 31.823 -0.065 0.000 1.008 147 V HN 0.861 nan 8.190 nan 0.000 0.424 148 A N 5.011 127.880 122.820 0.081 0.000 2.292 148 A HA 0.806 5.125 4.320 -0.002 0.000 0.319 148 A C -0.196 177.439 177.584 0.084 0.000 1.206 148 A CA -0.746 51.338 52.037 0.079 0.000 0.835 148 A CB 0.637 19.670 19.000 0.056 0.000 1.164 148 A HN 1.009 nan 8.150 nan 0.000 0.505 149 L N 2.290 123.566 121.223 0.087 0.000 2.410 149 L HA 0.104 4.443 4.340 -0.002 0.000 0.273 149 L C 0.197 177.098 176.870 0.050 0.000 1.152 149 L CA -0.325 54.555 54.840 0.068 0.000 0.855 149 L CB 0.470 42.547 42.059 0.031 0.000 1.129 149 L HN 0.676 nan 8.230 nan 0.000 0.463 150 D N 5.555 125.989 120.400 0.058 0.000 2.325 150 D HA 0.134 4.773 4.640 -0.002 0.000 0.251 150 D C -1.622 174.706 176.300 0.046 0.000 1.196 150 D CA -1.838 52.198 54.000 0.059 0.000 0.866 150 D CB 1.832 42.680 40.800 0.080 0.000 1.101 150 D HN 0.230 nan 8.370 nan 0.000 0.476 151 P HA -0.129 nan 4.420 nan 0.000 0.219 151 P C 1.420 178.742 177.300 0.037 0.000 1.146 151 P CA 0.446 63.569 63.100 0.038 0.000 0.808 151 P CB 0.270 31.993 31.700 0.037 0.000 0.779 152 L N -0.582 120.665 121.223 0.040 0.000 2.179 152 L HA 0.001 4.340 4.340 -0.002 0.000 0.208 152 L C 1.861 178.755 176.870 0.040 0.000 1.096 152 L CA 2.264 57.126 54.840 0.038 0.000 0.779 152 L CB -1.217 40.864 42.059 0.038 0.000 0.922 152 L HN 0.028 nan 8.230 nan 0.000 0.443 153 T N -3.710 110.873 114.554 0.048 0.000 3.001 153 T HA 0.550 4.899 4.350 -0.002 0.000 0.251 153 T C 0.954 175.680 174.700 0.042 0.000 1.040 153 T CA 0.207 62.338 62.100 0.052 0.000 0.985 153 T CB -0.164 68.750 68.868 0.076 0.000 1.011 153 T HN 0.728 nan 8.240 nan 0.000 0.509 154 G N 2.598 111.417 108.800 0.032 0.000 2.795 154 G HA2 0.009 3.968 3.960 -0.002 0.000 0.664 154 G HA3 0.009 3.968 3.960 -0.002 0.000 0.664 154 G C -2.994 171.908 174.900 0.002 0.000 1.381 154 G CA -0.631 44.475 45.100 0.010 0.000 0.853 154 G HN 0.447 nan 8.290 nan 0.000 0.545 155 P HA 0.409 nan 4.420 nan 0.000 0.271 155 P C -0.391 176.923 177.300 0.024 0.000 1.218 155 P CA 0.075 63.145 63.100 -0.050 0.000 0.780 155 P CB 0.760 32.254 31.700 -0.343 0.000 0.901 156 M N 3.016 122.653 119.600 0.062 0.000 2.535 156 M HA 0.304 4.783 4.480 -0.002 0.000 0.314 156 M C -1.817 174.480 176.300 -0.006 0.000 1.153 156 M CA -2.878 52.441 55.300 0.032 0.000 0.924 156 M CB 1.316 33.968 32.600 0.088 0.000 1.710 156 M HN 0.065 nan 8.290 nan 0.000 0.451 157 P HA -0.188 nan 4.420 nan 0.000 0.216 157 P C 1.340 178.616 177.300 -0.041 0.000 1.150 157 P CA 1.737 64.862 63.100 0.042 0.000 0.843 157 P CB -0.298 31.446 31.700 0.073 0.000 0.787 158 Y N -0.168 120.128 120.300 -0.008 0.000 2.274 158 Y HA -0.173 4.376 4.550 -0.001 0.000 0.290 158 Y C 1.955 177.786 175.900 -0.115 0.000 1.145 158 Y CA 1.027 59.111 58.100 -0.028 0.000 1.203 158 Y CB -1.740 36.721 38.460 0.001 0.000 0.984 158 Y HN 0.029 nan 8.280 nan 0.000 0.533 159 Q N 0.715 119.897 119.800 -1.030 0.000 2.119 159 Q HA -0.041 4.298 4.340 -0.002 0.000 0.201 159 Q C 2.565 177.976 176.000 -0.981 0.000 0.972 159 Q CA 1.194 56.421 55.803 -0.959 0.000 0.847 159 Q CB -0.427 27.729 28.738 -0.970 0.000 0.903 159 Q HN 0.717 nan 8.270 nan 0.000 0.433 160 G N 0.871 109.062 108.800 -1.015 0.000 2.421 160 G HA2 -0.206 3.752 3.960 -0.002 0.000 0.217 160 G HA3 -0.206 3.752 3.960 -0.002 0.000 0.217 160 G C 1.427 176.179 174.900 -0.247 0.000 1.143 160 G CA 0.169 44.842 45.100 -0.712 0.000 0.784 160 G HN 0.141 nan 8.290 nan 0.000 0.541 161 R N 0.076 120.427 120.500 -0.248 0.000 2.073 161 R HA 0.013 4.351 4.340 -0.002 0.000 0.229 161 R C 2.410 178.544 176.300 -0.276 0.000 1.120 161 R CA 1.130 57.028 56.100 -0.335 0.000 0.967 161 R CB -0.317 29.902 30.300 -0.135 0.000 0.862 161 R HN 0.508 nan 8.270 nan 0.000 0.436 162 E N 1.195 121.335 120.200 -0.100 0.000 2.070 162 E HA -0.218 4.131 4.350 -0.002 0.000 0.197 162 E C 1.942 178.464 176.600 -0.131 0.000 1.004 162 E CA 1.260 57.653 56.400 -0.012 0.000 0.805 162 E CB -0.037 29.651 29.700 -0.020 0.000 0.744 162 E HN 0.261 nan 8.360 nan 0.000 0.451 163 L N 0.234 121.323 121.223 -0.223 0.000 2.056 163 L HA -0.121 4.218 4.340 -0.002 0.000 0.207 163 L C 2.744 179.289 176.870 -0.542 0.000 1.078 163 L CA 0.930 55.616 54.840 -0.256 0.000 0.749 163 L CB -0.567 41.452 42.059 -0.067 0.000 0.901 163 L HN 0.215 nan 8.230 nan 0.000 0.433 164 A N 0.248 122.619 122.820 -0.748 0.000 1.883 164 A HA -0.217 4.102 4.320 -0.002 0.000 0.217 164 A C 2.024 179.298 177.584 -0.517 0.000 1.186 164 A CA 1.705 53.185 52.037 -0.928 0.000 0.624 164 A CB -0.765 17.797 19.000 -0.731 0.000 0.822 164 A HN 0.289 nan 8.150 nan 0.000 0.444 165 F N 0.062 119.855 119.950 -0.262 0.000 2.146 165 F HA -0.030 4.496 4.527 -0.002 0.000 0.298 165 F C 2.215 177.881 175.800 -0.223 0.000 1.096 165 F CA 1.451 59.336 58.000 -0.191 0.000 1.275 165 F CB -0.459 38.460 39.000 -0.134 0.000 1.008 165 F HN 0.122 nan 8.300 nan 0.000 0.480 166 K N 0.161 120.492 120.400 -0.116 0.000 2.280 166 K HA -0.086 4.233 4.320 -0.002 0.000 0.202 166 K C 1.606 178.046 176.600 -0.266 0.000 1.047 166 K CA 0.831 56.931 56.287 -0.313 0.000 0.942 166 K CB -0.309 31.784 32.500 -0.678 0.000 0.739 166 K HN 0.306 nan 8.250 nan 0.000 0.457 167 L N -0.216 120.879 121.223 -0.213 0.000 2.591 167 L HA 0.111 4.450 4.340 -0.002 0.000 0.228 167 L C 0.974 177.794 176.870 -0.084 0.000 1.133 167 L CA 0.136 54.899 54.840 -0.130 0.000 0.880 167 L CB -0.044 41.877 42.059 -0.231 0.000 1.033 167 L HN 0.346 nan 8.230 nan 0.000 0.450 168 G N 0.790 109.554 108.800 -0.060 0.000 2.179 168 G HA2 -0.281 3.678 3.960 -0.002 0.000 0.257 168 G HA3 -0.281 3.678 3.960 -0.002 0.000 0.257 168 G C 0.270 175.165 174.900 -0.008 0.000 1.010 168 G CA -0.019 45.075 45.100 -0.009 0.000 0.736 168 G HN 0.260 nan 8.290 nan 0.000 0.513 169 L N 0.035 121.222 121.223 -0.059 0.000 2.453 169 L HA 0.621 4.960 4.340 -0.002 0.000 0.261 169 L C 0.874 177.751 176.870 0.013 0.000 1.179 169 L CA -0.063 54.739 54.840 -0.062 0.000 0.813 169 L CB 0.697 42.656 42.059 -0.167 0.000 1.110 169 L HN 0.618 nan 8.230 nan 0.000 0.466 170 E N 0.234 120.446 120.200 0.021 0.000 2.449 170 E HA 0.639 4.988 4.350 -0.002 0.000 0.278 170 E C -0.054 176.573 176.600 0.044 0.000 0.992 170 E CA -0.577 55.866 56.400 0.072 0.000 0.807 170 E CB 1.538 31.286 29.700 0.081 0.000 1.350 170 E HN 0.674 nan 8.360 nan 0.000 0.462 171 G N 1.978 110.816 108.800 0.063 0.000 2.564 171 G HA2 -0.464 3.495 3.960 -0.002 0.000 0.273 171 G HA3 -0.464 3.495 3.960 -0.002 0.000 0.273 171 G C 0.704 175.619 174.900 0.025 0.000 1.242 171 G CA 0.825 45.950 45.100 0.042 0.000 0.951 171 G HN 0.913 nan 8.290 nan 0.000 0.564 172 K N 0.305 120.717 120.400 0.020 0.000 2.281 172 K HA 0.112 4.431 4.320 -0.002 0.000 0.203 172 K C 2.482 179.090 176.600 0.013 0.000 1.046 172 K CA 1.967 58.263 56.287 0.015 0.000 0.938 172 K CB -0.203 32.306 32.500 0.015 0.000 0.737 172 K HN 0.451 nan 8.250 nan 0.000 0.458 173 L N 1.127 122.357 121.223 0.012 0.000 2.275 173 L HA -0.103 4.236 4.340 -0.002 0.000 0.215 173 L C 2.261 179.139 176.870 0.013 0.000 1.119 173 L CA 0.315 55.167 54.840 0.021 0.000 0.790 173 L CB -0.140 41.928 42.059 0.015 0.000 0.919 173 L HN 0.032 nan 8.230 nan 0.000 0.443 174 V N -0.749 119.138 119.914 -0.045 0.000 2.379 174 V HA -0.263 3.856 4.120 -0.002 0.000 0.245 174 V C 2.353 178.413 176.094 -0.056 0.000 1.044 174 V CA 1.481 63.696 62.300 -0.141 0.000 1.036 174 V CB -0.315 31.340 31.823 -0.281 0.000 0.664 174 V HN 0.417 nan 8.190 nan 0.000 0.453 175 Q N -0.358 119.428 119.800 -0.024 0.000 2.083 175 Q HA -0.171 4.168 4.340 -0.002 0.000 0.198 175 Q C 2.315 178.319 176.000 0.008 0.000 0.969 175 Q CA 1.504 57.304 55.803 -0.006 0.000 0.838 175 Q CB -0.250 28.488 28.738 0.001 0.000 0.900 175 Q HN 0.651 nan 8.270 nan 0.000 0.436 176 Q N -0.796 119.016 119.800 0.019 0.000 2.124 176 Q HA -0.158 4.181 4.340 -0.002 0.000 0.202 176 Q C 1.758 177.763 176.000 0.008 0.000 0.977 176 Q CA 1.237 57.047 55.803 0.011 0.000 0.850 176 Q CB -0.171 28.579 28.738 0.019 0.000 0.901 176 Q HN 0.347 nan 8.270 nan 0.000 0.429 177 F N 1.089 120.993 119.950 -0.078 0.000 2.146 177 F HA -0.166 4.360 4.527 -0.002 0.000 0.298 177 F C 2.178 177.939 175.800 -0.064 0.000 1.096 177 F CA 1.474 59.426 58.000 -0.079 0.000 1.275 177 F CB -0.216 38.717 39.000 -0.111 0.000 1.008 177 F HN -0.085 nan 8.300 nan 0.000 0.480 178 T N 0.465 115.076 114.554 0.095 0.000 2.746 178 T HA -0.245 4.104 4.350 -0.002 0.000 0.267 178 T C 1.978 176.666 174.700 -0.019 0.000 1.039 178 T CA 1.748 63.872 62.100 0.040 0.000 1.142 178 T CB -0.325 68.553 68.868 0.016 0.000 0.866 178 T HN 0.260 nan 8.240 nan 0.000 0.444 179 K N 0.702 121.070 120.400 -0.053 0.000 2.097 179 K HA -0.021 4.298 4.320 -0.002 0.000 0.206 179 K C 2.168 178.680 176.600 -0.147 0.000 1.049 179 K CA 1.203 57.446 56.287 -0.074 0.000 0.933 179 K CB -0.273 32.195 32.500 -0.053 0.000 0.717 179 K HN 0.312 nan 8.250 nan 0.000 0.442 180 I N 0.439 120.875 120.570 -0.224 0.000 2.252 180 I HA -0.214 3.955 4.170 -0.002 0.000 0.245 180 I C 2.181 178.068 176.117 -0.382 0.000 1.102 180 I CA 0.839 61.950 61.300 -0.315 0.000 1.385 180 I CB -0.277 37.491 38.000 -0.385 0.000 1.064 180 I HN 0.179 nan 8.210 nan 0.000 0.414 181 F N 1.511 121.105 119.950 -0.593 0.000 2.095 181 F HA -0.285 4.241 4.527 -0.002 0.000 0.298 181 F C 2.469 177.956 175.800 -0.520 0.000 1.104 181 F CA 1.766 59.387 58.000 -0.631 0.000 1.232 181 F CB -0.226 38.426 39.000 -0.580 0.000 0.987 181 F HN -0.078 nan 8.300 nan 0.000 0.475 182 M N 0.609 119.922 119.600 -0.479 0.000 2.117 182 M HA -0.082 4.397 4.480 -0.002 0.000 0.262 182 M C 2.546 178.608 176.300 -0.396 0.000 1.065 182 M CA 1.538 56.552 55.300 -0.476 0.000 1.114 182 M CB -2.291 30.215 32.600 -0.158 0.000 1.361 182 M HN 0.362 nan 8.290 nan 0.000 0.408 183 G N -0.052 108.581 108.800 -0.279 0.000 2.394 183 G HA2 -0.104 3.855 3.960 -0.002 0.000 0.215 183 G HA3 -0.104 3.855 3.960 -0.002 0.000 0.215 183 G C 1.703 176.450 174.900 -0.254 0.000 1.165 183 G CA 0.242 45.245 45.100 -0.161 0.000 0.784 183 G HN 0.380 nan 8.290 nan 0.000 0.535 184 L N 0.688 121.723 121.223 -0.314 0.000 2.083 184 L HA -0.055 4.284 4.340 -0.002 0.000 0.209 184 L C 3.379 180.225 176.870 -0.041 0.000 1.083 184 L CA 0.983 55.718 54.840 -0.175 0.000 0.752 184 L CB -0.342 41.683 42.059 -0.058 0.000 0.899 184 L HN 0.316 nan 8.230 nan 0.000 0.433 185 A N -0.554 122.017 122.820 -0.416 0.000 1.930 185 A HA -0.166 4.153 4.320 -0.002 0.000 0.217 185 A C 2.351 179.847 177.584 -0.147 0.000 1.175 185 A CA 2.153 53.964 52.037 -0.377 0.000 0.627 185 A CB -0.751 17.594 19.000 -1.091 0.000 0.815 185 A HN 0.366 nan 8.150 nan 0.000 0.443 186 T N 0.387 114.818 114.554 -0.204 0.000 2.737 186 T HA -0.054 4.295 4.350 -0.002 0.000 0.265 186 T C 1.811 176.451 174.700 -0.100 0.000 1.038 186 T CA 1.414 63.461 62.100 -0.087 0.000 1.144 186 T CB -0.389 68.467 68.868 -0.020 0.000 0.866 186 T HN 0.418 nan 8.240 nan 0.000 0.434 187 I N 0.293 120.679 120.570 -0.305 0.000 2.163 187 I HA -0.168 4.001 4.170 -0.002 0.000 0.243 187 I C 2.146 178.176 176.117 -0.145 0.000 1.085 187 I CA 1.390 62.404 61.300 -0.477 0.000 1.347 187 I CB -0.448 37.181 38.000 -0.619 0.000 1.044 187 I HN 0.130 nan 8.210 nan 0.000 0.408 188 F N 1.628 121.489 119.950 -0.148 0.000 2.065 188 F HA -0.277 4.249 4.527 -0.002 0.000 0.298 188 F C 2.297 178.053 175.800 -0.073 0.000 1.112 188 F CA 1.900 59.849 58.000 -0.085 0.000 1.212 188 F CB -0.302 38.693 39.000 -0.009 0.000 0.975 188 F HN -0.110 nan 8.300 nan 0.000 0.476 189 L N -0.546 120.828 121.223 0.253 0.000 2.027 189 L HA -0.172 4.167 4.340 -0.002 0.000 0.206 189 L C 2.344 179.240 176.870 0.044 0.000 1.074 189 L CA 1.582 56.514 54.840 0.152 0.000 0.745 189 L CB -0.876 41.245 42.059 0.103 0.000 0.898 189 L HN 0.155 nan 8.230 nan 0.000 0.433 190 E N 0.040 120.254 120.200 0.024 0.000 2.106 190 E HA -0.131 4.218 4.350 -0.002 0.000 0.192 190 E C 1.785 178.368 176.600 -0.028 0.000 0.984 190 E CA 0.668 57.079 56.400 0.018 0.000 0.806 190 E CB 0.104 29.854 29.700 0.084 0.000 0.750 190 E HN 0.311 nan 8.360 nan 0.000 0.458 191 R N 0.882 121.335 120.500 -0.077 0.000 2.334 191 R HA 0.056 4.395 4.340 -0.002 0.000 0.220 191 R C -0.345 175.843 176.300 -0.187 0.000 0.917 191 R CA 0.031 56.057 56.100 -0.123 0.000 1.073 191 R CB -0.322 29.894 30.300 -0.140 0.000 1.056 191 R HN 0.091 nan 8.270 nan 0.000 0.506 192 D N 1.379 121.670 120.400 -0.181 0.000 2.705 192 D HA -0.177 4.462 4.640 -0.002 0.000 0.240 192 D C -0.320 175.768 176.300 -0.353 0.000 1.137 192 D CA 0.698 54.569 54.000 -0.215 0.000 0.677 192 D CB -0.857 39.831 40.800 -0.188 0.000 1.049 192 D HN 0.217 nan 8.370 nan 0.000 0.427 193 L N -0.502 120.350 121.223 -0.617 0.000 2.456 193 L HA 0.439 4.777 4.340 -0.002 0.000 0.257 193 L C 1.701 177.971 176.870 -1.000 0.000 1.162 193 L CA 0.053 54.396 54.840 -0.829 0.000 0.808 193 L CB 0.889 42.320 42.059 -1.047 0.000 1.136 193 L HN 0.139 nan 8.230 nan 0.000 0.466 194 A N 1.539 123.978 122.820 -0.635 0.000 2.138 194 A HA 0.388 4.707 4.320 -0.002 0.000 0.203 194 A C -0.025 177.476 177.584 -0.139 0.000 1.286 194 A CA 0.225 52.088 52.037 -0.289 0.000 0.929 194 A CB 0.594 19.503 19.000 -0.152 0.000 0.975 194 A HN 0.475 nan 8.150 nan 0.000 0.480 195 L N -0.738 120.338 121.223 -0.244 0.000 2.505 195 L HA 0.732 5.071 4.340 -0.002 0.000 0.259 195 L C -1.976 174.867 176.870 -0.045 0.000 0.952 195 L CA -0.331 54.493 54.840 -0.027 0.000 0.840 195 L CB 1.758 43.790 42.059 -0.045 0.000 1.358 195 L HN 0.129 nan 8.230 nan 0.000 0.409 196 I N 3.165 123.757 120.570 0.037 0.000 2.619 196 I HA 0.565 4.734 4.170 -0.002 0.000 0.292 196 I C -1.236 174.858 176.117 -0.037 0.000 1.100 196 I CA -0.424 60.881 61.300 0.009 0.000 1.043 196 I CB 2.266 40.284 38.000 0.031 0.000 1.239 196 I HN 0.747 nan 8.210 nan 0.000 0.420 197 E N 6.918 127.096 120.200 -0.037 0.000 2.287 197 E HA 0.414 4.763 4.350 -0.002 0.000 0.274 197 E C -1.843 174.674 176.600 -0.139 0.000 0.896 197 E CA -0.588 55.734 56.400 -0.130 0.000 0.788 197 E CB 1.702 31.395 29.700 -0.013 0.000 1.244 197 E HN 0.388 nan 8.360 nan 0.000 0.408 198 I N 4.119 124.509 120.570 -0.300 0.000 2.359 198 I HA 0.388 4.557 4.170 -0.002 0.000 0.284 198 I C -0.537 175.409 176.117 -0.285 0.000 1.018 198 I CA -0.775 60.409 61.300 -0.193 0.000 1.173 198 I CB 0.626 38.498 38.000 -0.215 0.000 1.326 198 I HN 0.479 nan 8.210 nan 0.000 0.462 199 N N 8.866 127.499 118.700 -0.111 0.000 2.594 199 N HA 0.431 5.170 4.740 -0.002 0.000 0.280 199 N C -3.000 172.542 175.510 0.053 0.000 1.156 199 N CA -1.017 52.031 53.050 -0.003 0.000 0.831 199 N CB 2.695 41.257 38.487 0.126 0.000 1.379 199 N HN 0.240 nan 8.380 nan 0.000 0.536 200 P HA 0.318 nan 4.420 nan 0.000 0.293 200 P C -0.933 176.377 177.300 0.017 0.000 1.291 200 P CA -0.805 62.322 63.100 0.046 0.000 0.867 200 P CB 1.905 33.643 31.700 0.062 0.000 1.074 201 L N 3.744 124.973 121.223 0.010 0.000 2.261 201 L HA 0.306 4.645 4.340 -0.002 0.000 0.289 201 L C -0.776 176.120 176.870 0.043 0.000 1.059 201 L CA -0.407 54.437 54.840 0.006 0.000 0.816 201 L CB 0.414 42.480 42.059 0.013 0.000 1.191 201 L HN 0.048 nan 8.230 nan 0.000 0.431 202 V N 6.629 126.564 119.914 0.035 0.000 2.539 202 V HA 0.406 4.525 4.120 -0.002 0.000 0.292 202 V C 0.386 176.504 176.094 0.040 0.000 1.045 202 V CA -0.520 61.804 62.300 0.040 0.000 0.945 202 V CB 1.787 33.630 31.823 0.033 0.000 0.993 202 V HN 0.611 nan 8.190 nan 0.000 0.464 203 I N 4.285 124.878 120.570 0.040 0.000 2.304 203 I HA 0.274 4.443 4.170 -0.002 0.000 0.291 203 I C 0.857 176.990 176.117 0.026 0.000 1.018 203 I CA -0.177 61.143 61.300 0.035 0.000 1.260 203 I CB 1.680 39.700 38.000 0.033 0.000 1.390 203 I HN 0.771 nan 8.210 nan 0.000 0.475 204 T N 2.377 116.944 114.554 0.022 0.000 2.788 204 T HA 0.231 4.579 4.350 -0.002 0.000 0.287 204 T C 0.996 175.704 174.700 0.014 0.000 1.007 204 T CA -0.644 61.466 62.100 0.017 0.000 1.005 204 T CB 1.326 70.203 68.868 0.014 0.000 1.012 204 T HN 0.514 nan 8.240 nan 0.000 0.530 205 K N 0.209 120.615 120.400 0.009 0.000 2.211 205 K HA -0.091 4.228 4.320 -0.002 0.000 0.203 205 K C 1.953 178.557 176.600 0.007 0.000 1.050 205 K CA 1.133 57.424 56.287 0.007 0.000 0.945 205 K CB -0.112 32.390 32.500 0.003 0.000 0.732 205 K HN 0.557 nan 8.250 nan 0.000 0.451 206 Q N -0.463 119.342 119.800 0.007 0.000 2.466 206 Q HA 0.067 4.406 4.340 -0.002 0.000 0.210 206 Q C 0.622 176.628 176.000 0.010 0.000 0.961 206 Q CA 0.582 56.389 55.803 0.007 0.000 0.953 206 Q CB 0.453 29.195 28.738 0.007 0.000 1.011 206 Q HN 0.462 nan 8.270 nan 0.000 0.516 207 G N 0.256 109.063 108.800 0.012 0.000 2.160 207 G HA2 -0.197 3.761 3.960 -0.002 0.000 0.244 207 G HA3 -0.197 3.761 3.960 -0.002 0.000 0.244 207 G C -0.696 174.214 174.900 0.017 0.000 1.022 207 G CA 0.084 45.193 45.100 0.014 0.000 0.741 207 G HN 0.295 nan 8.290 nan 0.000 0.508 208 D N -0.557 119.854 120.400 0.017 0.000 2.433 208 D HA 0.564 5.203 4.640 -0.002 0.000 0.236 208 D C 0.469 176.782 176.300 0.023 0.000 1.026 208 D CA -0.587 53.424 54.000 0.018 0.000 0.884 208 D CB 1.722 42.531 40.800 0.014 0.000 1.384 208 D HN 0.128 nan 8.370 nan 0.000 0.477 209 L N 1.451 122.689 121.223 0.024 0.000 2.326 209 L HA 0.531 4.870 4.340 -0.002 0.000 0.278 209 L C 0.051 176.925 176.870 0.008 0.000 1.092 209 L CA -0.368 54.488 54.840 0.027 0.000 0.810 209 L CB 1.074 43.156 42.059 0.038 0.000 1.153 209 L HN 0.219 nan 8.230 nan 0.000 0.439 210 I N 1.556 122.131 120.570 0.008 0.000 2.752 210 I HA 0.271 4.440 4.170 -0.002 0.000 0.295 210 I C -0.994 175.126 176.117 0.005 0.000 1.219 210 I CA -0.455 60.850 61.300 0.007 0.000 1.030 210 I CB 2.037 40.050 38.000 0.020 0.000 1.259 210 I HN 0.580 nan 8.210 nan 0.000 0.423 211 C N 7.034 126.338 119.300 0.007 0.000 2.349 211 C HA 0.213 4.672 4.460 -0.002 0.000 0.348 211 C C 1.341 176.375 174.990 0.073 0.000 1.223 211 C CA -0.403 58.627 59.018 0.020 0.000 1.746 211 C CB -0.076 27.676 27.740 0.020 0.000 2.360 211 C HN 0.677 nan 8.230 nan 0.000 0.533 212 L N 2.173 123.430 121.223 0.056 0.000 2.446 212 L HA 0.263 4.602 4.340 -0.002 0.000 0.219 212 L C 0.677 177.590 176.870 0.072 0.000 1.116 212 L CA 1.717 56.593 54.840 0.060 0.000 0.844 212 L CB -0.287 41.799 42.059 0.045 0.000 0.970 212 L HN 0.688 nan 8.230 nan 0.000 0.457 213 D N -2.046 118.405 120.400 0.084 0.000 2.583 213 D HA 0.587 5.225 4.640 -0.002 0.000 0.248 213 D C -1.045 175.338 176.300 0.137 0.000 1.209 213 D CA -0.076 53.977 54.000 0.087 0.000 0.848 213 D CB 2.432 43.270 40.800 0.063 0.000 1.431 213 D HN -0.048 nan 8.370 nan 0.000 0.436 214 G N 1.058 109.931 108.800 0.122 0.000 2.753 214 G HA2 0.490 4.449 3.960 -0.002 0.000 0.295 214 G HA3 0.490 4.449 3.960 -0.002 0.000 0.295 214 G C -1.476 173.448 174.900 0.040 0.000 1.437 214 G CA -0.568 44.643 45.100 0.184 0.000 1.094 214 G HN 0.302 nan 8.290 nan 0.000 0.540 215 K N 2.794 123.218 120.400 0.040 0.000 2.463 215 K HA 0.670 4.988 4.320 -0.002 0.000 0.255 215 K C -1.046 175.525 176.600 -0.049 0.000 0.942 215 K CA -0.708 55.559 56.287 -0.035 0.000 0.814 215 K CB 1.275 33.762 32.500 -0.021 0.000 1.122 215 K HN 0.377 nan 8.250 nan 0.000 0.425 216 L N 2.795 123.938 121.223 -0.133 0.000 2.386 216 L HA 0.620 4.959 4.340 -0.002 0.000 0.271 216 L C -0.004 176.736 176.870 -0.218 0.000 0.993 216 L CA -1.134 53.613 54.840 -0.154 0.000 0.819 216 L CB 2.250 44.195 42.059 -0.189 0.000 1.294 216 L HN 0.822 nan 8.230 nan 0.000 0.414 217 G N 1.400 110.071 108.800 -0.214 0.000 2.590 217 G HA2 0.687 4.646 3.960 -0.002 0.000 0.310 217 G HA3 0.687 4.646 3.960 -0.002 0.000 0.310 217 G C -0.935 173.809 174.900 -0.259 0.000 1.347 217 G CA -0.340 44.623 45.100 -0.227 0.000 0.963 217 G HN 0.700 nan 8.290 nan 0.000 0.494 218 A N 1.968 124.644 122.820 -0.241 0.000 2.303 218 A HA 0.613 4.932 4.320 -0.002 0.000 0.317 218 A C -0.105 177.359 177.584 -0.200 0.000 1.149 218 A CA -0.556 51.336 52.037 -0.242 0.000 0.822 218 A CB 1.038 19.914 19.000 -0.207 0.000 1.131 218 A HN 0.614 nan 8.150 nan 0.000 0.493 219 D N 1.949 122.226 120.400 -0.204 0.000 2.346 219 D HA 0.276 4.915 4.640 -0.002 0.000 0.260 219 D C 1.435 177.673 176.300 -0.104 0.000 1.252 219 D CA 0.784 54.701 54.000 -0.139 0.000 0.895 219 D CB 1.011 41.736 40.800 -0.125 0.000 1.097 219 D HN 0.470 nan 8.370 nan 0.000 0.489 220 G N 4.139 112.896 108.800 -0.071 0.000 2.450 220 G HA2 -0.293 3.665 3.960 -0.002 0.000 0.220 220 G HA3 -0.293 3.665 3.960 -0.002 0.000 0.220 220 G C 1.336 176.235 174.900 -0.001 0.000 1.130 220 G CA 0.122 45.198 45.100 -0.041 0.000 0.760 220 G HN 0.493 nan 8.290 nan 0.000 0.557 221 N N 0.808 119.518 118.700 0.018 0.000 2.550 221 N HA 0.069 4.807 4.740 -0.002 0.000 0.186 221 N C 1.730 177.318 175.510 0.130 0.000 1.110 221 N CA 0.832 53.938 53.050 0.093 0.000 0.912 221 N CB 0.068 38.608 38.487 0.088 0.000 0.968 221 N HN 0.359 nan 8.380 nan 0.000 0.448 222 A N -0.453 122.342 122.820 -0.043 0.000 2.390 222 A HA 0.272 4.591 4.320 -0.002 0.000 0.232 222 A C 1.794 179.109 177.584 -0.449 0.000 1.233 222 A CA -0.282 51.584 52.037 -0.285 0.000 0.907 222 A CB -0.076 18.772 19.000 -0.253 0.000 0.967 222 A HN 0.121 nan 8.150 nan 0.000 0.512 223 L N -0.495 120.610 121.223 -0.198 0.000 2.187 223 L HA -0.190 4.148 4.340 -0.002 0.000 0.213 223 L C 2.386 179.150 176.870 -0.177 0.000 1.100 223 L CA 1.559 56.300 54.840 -0.165 0.000 0.765 223 L CB -0.767 41.255 42.059 -0.061 0.000 0.904 223 L HN 0.735 nan 8.230 nan 0.000 0.437 224 F N 1.260 121.196 119.950 -0.022 0.000 2.307 224 F HA -0.161 4.365 4.527 -0.002 0.000 0.301 224 F C 2.075 177.866 175.800 -0.015 0.000 1.076 224 F CA 0.718 58.707 58.000 -0.017 0.000 1.383 224 F CB -0.699 38.293 39.000 -0.014 0.000 1.055 224 F HN 0.071 nan 8.300 nan 0.000 0.526 225 R N 0.022 119.979 120.500 -0.903 0.000 2.613 225 R HA 0.286 4.625 4.340 -0.002 0.000 0.361 225 R C -0.369 175.753 176.300 -0.297 0.000 1.072 225 R CA -0.241 55.563 56.100 -0.493 0.000 1.089 225 R CB -0.084 29.853 30.300 -0.605 0.000 1.343 225 R HN 0.247 nan 8.270 nan 0.000 0.571 226 Q N 1.538 121.190 119.800 -0.247 0.000 3.075 226 Q HA 0.209 4.548 4.340 -0.002 0.000 0.318 226 Q C -2.108 173.831 176.000 -0.101 0.000 0.907 226 Q CA -1.794 53.914 55.803 -0.159 0.000 0.882 226 Q CB 1.878 30.508 28.738 -0.179 0.000 1.386 226 Q HN 0.144 nan 8.270 nan 0.000 0.408 227 P HA -0.192 nan 4.420 nan 0.000 0.216 227 P C 0.379 177.657 177.300 -0.036 0.000 1.150 227 P CA 1.225 64.301 63.100 -0.040 0.000 0.837 227 P CB 0.610 32.296 31.700 -0.023 0.000 0.786 228 D N 0.119 120.495 120.400 -0.040 0.000 2.084 228 D HA -0.086 4.553 4.640 -0.002 0.000 0.194 228 D C 2.268 178.539 176.300 -0.048 0.000 0.990 228 D CA 0.940 54.919 54.000 -0.035 0.000 0.826 228 D CB -0.915 39.868 40.800 -0.028 0.000 0.971 228 D HN 0.181 nan 8.370 nan 0.000 0.453 229 L N 0.300 121.482 121.223 -0.069 0.000 2.083 229 L HA -0.127 4.212 4.340 -0.002 0.000 0.209 229 L C 2.630 179.457 176.870 -0.072 0.000 1.083 229 L CA 0.881 55.669 54.840 -0.088 0.000 0.752 229 L CB -0.317 41.672 42.059 -0.117 0.000 0.899 229 L HN -0.001 nan 8.230 nan 0.000 0.433 230 R N 0.093 120.556 120.500 -0.061 0.000 2.103 230 R HA -0.179 4.159 4.340 -0.002 0.000 0.242 230 R C 2.123 178.408 176.300 -0.024 0.000 1.142 230 R CA 1.396 57.472 56.100 -0.041 0.000 0.960 230 R CB -0.006 30.276 30.300 -0.030 0.000 0.858 230 R HN 0.324 nan 8.270 nan 0.000 0.439 231 E N -0.077 120.110 120.200 -0.021 0.000 2.274 231 E HA -0.138 4.211 4.350 -0.002 0.000 0.194 231 E C 1.697 178.296 176.600 -0.002 0.000 0.996 231 E CA 0.893 57.289 56.400 -0.006 0.000 0.840 231 E CB -0.007 29.692 29.700 -0.003 0.000 0.772 231 E HN 0.457 nan 8.360 nan 0.000 0.491 232 M N 0.393 119.980 119.600 -0.021 0.000 2.595 232 M HA 0.002 4.480 4.480 -0.002 0.000 0.248 232 M C 1.103 177.404 176.300 0.000 0.000 1.119 232 M CA 0.036 55.324 55.300 -0.020 0.000 1.079 232 M CB 0.054 32.610 32.600 -0.073 0.000 1.472 232 M HN -0.150 nan 8.290 nan 0.000 0.501 233 R N 2.010 122.509 120.500 -0.002 0.000 2.538 233 R HA -0.079 4.260 4.340 -0.002 0.000 0.282 233 R C -0.705 175.630 176.300 0.059 0.000 1.009 233 R CA 0.653 56.764 56.100 0.019 0.000 1.063 233 R CB 0.318 30.622 30.300 0.008 0.000 0.945 233 R HN -0.078 nan 8.270 nan 0.000 0.414 234 D N 3.610 124.065 120.400 0.093 0.000 2.462 234 D HA 0.094 4.733 4.640 -0.002 0.000 0.249 234 D C 0.257 176.579 176.300 0.036 0.000 1.117 234 D CA -0.247 53.800 54.000 0.079 0.000 0.900 234 D CB 1.307 42.168 40.800 0.102 0.000 1.039 234 D HN 0.654 nan 8.370 nan 0.000 0.516 235 Q N 0.881 120.704 119.800 0.039 0.000 2.291 235 Q HA -0.130 4.209 4.340 -0.002 0.000 0.206 235 Q C 1.788 177.798 176.000 0.016 0.000 0.976 235 Q CA 1.293 57.115 55.803 0.031 0.000 0.875 235 Q CB 0.140 28.898 28.738 0.035 0.000 0.927 235 Q HN 0.559 nan 8.270 nan 0.000 0.450 236 S N 0.267 115.972 115.700 0.009 0.000 2.469 236 S HA -0.136 4.333 4.470 -0.002 0.000 0.238 236 S C 1.651 176.236 174.600 -0.025 0.000 0.998 236 S CA 0.658 58.860 58.200 0.003 0.000 0.957 236 S CB 0.010 63.218 63.200 0.013 0.000 0.764 236 S HN 0.267 nan 8.310 nan 0.000 0.514 237 Q N 0.663 120.410 119.800 -0.088 0.000 2.435 237 Q HA 0.289 4.627 4.340 -0.002 0.000 0.207 237 Q C 0.133 176.114 176.000 -0.032 0.000 0.956 237 Q CA 0.713 56.428 55.803 -0.147 0.000 0.917 237 Q CB -0.002 28.414 28.738 -0.536 0.000 0.997 237 Q HN 0.613 nan 8.270 nan 0.000 0.497 238 E N 0.616 120.821 120.200 0.007 0.000 2.281 238 E HA 0.130 4.479 4.350 -0.002 0.000 0.262 238 E C -0.825 175.805 176.600 0.049 0.000 0.933 238 E CA -0.723 55.700 56.400 0.038 0.000 0.809 238 E CB 1.132 30.864 29.700 0.054 0.000 1.242 238 E HN -0.046 nan 8.360 nan 0.000 0.418 239 D N 2.742 123.183 120.400 0.069 0.000 2.472 239 D HA -0.034 4.605 4.640 -0.002 0.000 0.248 239 D C -1.383 174.972 176.300 0.091 0.000 1.174 239 D CA -1.117 52.938 54.000 0.092 0.000 0.883 239 D CB 0.857 41.742 40.800 0.141 0.000 1.149 239 D HN 0.023 nan 8.370 nan 0.000 0.488 240 P HA -0.145 nan 4.420 nan 0.000 0.221 240 P C 1.046 178.379 177.300 0.054 0.000 1.145 240 P CA 0.821 63.954 63.100 0.055 0.000 0.795 240 P CB 0.274 31.998 31.700 0.039 0.000 0.775 241 R N 0.210 120.741 120.500 0.052 0.000 2.189 241 R HA -0.083 4.256 4.340 -0.002 0.000 0.223 241 R C 2.328 178.660 176.300 0.052 0.000 1.092 241 R CA 1.086 57.169 56.100 -0.029 0.000 0.989 241 R CB -0.348 29.838 30.300 -0.189 0.000 0.876 241 R HN 0.386 nan 8.270 nan 0.000 0.457 242 E N 0.519 120.828 120.200 0.181 0.000 2.047 242 E HA -0.136 4.212 4.350 -0.002 0.000 0.191 242 E C 2.083 178.766 176.600 0.139 0.000 0.987 242 E CA 1.107 57.639 56.400 0.220 0.000 0.799 242 E CB -0.085 29.729 29.700 0.189 0.000 0.752 242 E HN 0.343 nan 8.360 nan 0.000 0.449 243 A N 1.348 124.228 122.820 0.101 0.000 1.902 243 A HA -0.257 4.061 4.320 -0.002 0.000 0.217 243 A C 2.080 179.718 177.584 0.090 0.000 1.181 243 A CA 1.453 53.539 52.037 0.082 0.000 0.623 243 A CB -0.470 18.567 19.000 0.062 0.000 0.818 243 A HN 0.160 nan 8.150 nan 0.000 0.443 244 Q N -0.418 119.435 119.800 0.087 0.000 2.061 244 Q HA -0.122 4.217 4.340 -0.002 0.000 0.204 244 Q C 2.435 178.546 176.000 0.184 0.000 0.984 244 Q CA 1.596 57.474 55.803 0.124 0.000 0.846 244 Q CB -0.461 28.324 28.738 0.078 0.000 0.902 244 Q HN 0.676 nan 8.270 nan 0.000 0.421 245 A N 1.230 124.124 122.820 0.123 0.000 1.883 245 A HA -0.185 4.133 4.320 -0.002 0.000 0.217 245 A C 2.348 180.051 177.584 0.198 0.000 1.186 245 A CA 1.774 53.904 52.037 0.154 0.000 0.624 245 A CB -1.052 18.038 19.000 0.149 0.000 0.822 245 A HN 0.418 nan 8.150 nan 0.000 0.444 246 A N 0.156 123.069 122.820 0.154 0.000 1.940 246 A HA -0.241 4.078 4.320 -0.002 0.000 0.219 246 A C 2.188 179.825 177.584 0.087 0.000 1.176 246 A CA 1.862 53.971 52.037 0.120 0.000 0.631 246 A CB -0.698 18.357 19.000 0.092 0.000 0.814 246 A HN 0.814 nan 8.150 nan 0.000 0.446 247 Q N -2.678 117.164 119.800 0.071 0.000 2.436 247 Q HA -0.126 4.212 4.340 -0.002 0.000 0.209 247 Q C 1.156 177.066 176.000 -0.150 0.000 0.965 247 Q CA 0.938 56.715 55.803 -0.043 0.000 0.910 247 Q CB -0.283 28.413 28.738 -0.070 0.000 0.980 247 Q HN 0.799 nan 8.270 nan 0.000 0.491 248 W N 1.301 122.610 121.300 0.016 0.000 3.132 248 W HA 0.281 4.940 4.660 -0.002 0.000 0.364 248 W C -0.478 176.051 176.519 0.017 0.000 1.129 248 W CA -0.196 57.157 57.345 0.013 0.000 1.815 248 W CB 0.824 30.288 29.460 0.006 0.000 1.099 248 W HN 0.205 nan 8.180 nan 0.000 0.605 249 E N 0.273 120.583 120.200 0.182 0.000 2.416 249 E HA -0.220 4.129 4.350 -0.002 0.000 0.249 249 E C -0.634 176.055 176.600 0.148 0.000 1.124 249 E CA 0.265 56.747 56.400 0.136 0.000 0.732 249 E CB -1.925 27.840 29.700 0.107 0.000 1.286 249 E HN 0.258 nan 8.360 nan 0.000 0.394 250 L N 0.259 121.581 121.223 0.165 0.000 2.354 250 L HA 0.532 4.870 4.340 -0.002 0.000 0.269 250 L C 0.249 177.219 176.870 0.166 0.000 1.005 250 L CA -1.089 53.833 54.840 0.137 0.000 0.819 250 L CB 1.521 43.653 42.059 0.123 0.000 1.311 250 L HN -0.032 nan 8.230 nan 0.000 0.423 251 N N 1.817 120.627 118.700 0.184 0.000 2.476 251 N HA 0.312 5.051 4.740 -0.002 0.000 0.257 251 N C -1.595 174.146 175.510 0.385 0.000 0.970 251 N CA -0.303 52.918 53.050 0.284 0.000 0.938 251 N CB 2.012 40.716 38.487 0.362 0.000 1.144 251 N HN 0.473 nan 8.380 nan 0.000 0.500 252 Y N 1.777 122.208 120.300 0.218 0.000 2.376 252 Y HA 0.558 5.107 4.550 -0.002 0.000 0.340 252 Y C -1.293 174.735 175.900 0.213 0.000 0.965 252 Y CA -0.687 57.542 58.100 0.215 0.000 1.078 252 Y CB 1.235 39.758 38.460 0.105 0.000 1.193 252 Y HN 0.159 nan 8.280 nan 0.000 0.452 253 V N 5.904 125.581 119.914 -0.396 0.000 2.525 253 V HA 0.695 4.814 4.120 -0.002 0.000 0.299 253 V C -0.200 175.485 176.094 -0.682 0.000 1.034 253 V CA -0.792 61.265 62.300 -0.404 0.000 0.863 253 V CB 1.199 32.889 31.823 -0.222 0.000 0.999 253 V HN 1.016 nan 8.190 nan 0.000 0.423 254 A N 5.023 127.497 122.820 -0.577 0.000 2.371 254 A HA 0.806 5.125 4.320 -0.002 0.000 0.257 254 A C -0.621 176.883 177.584 -0.132 0.000 1.089 254 A CA 0.089 51.940 52.037 -0.309 0.000 0.794 254 A CB 0.511 19.521 19.000 0.017 0.000 1.029 254 A HN 0.702 nan 8.150 nan 0.000 0.488 255 L N 0.133 121.316 121.223 -0.067 0.000 2.216 255 L HA 0.419 4.758 4.340 -0.002 0.000 0.260 255 L C 1.481 178.354 176.870 0.005 0.000 1.036 255 L CA -0.145 54.679 54.840 -0.026 0.000 0.914 255 L CB 1.176 43.225 42.059 -0.016 0.000 1.501 255 L HN 0.877 nan 8.230 nan 0.000 0.485 256 D N -0.797 119.610 120.400 0.011 0.000 2.162 256 D HA 0.008 4.647 4.640 -0.002 0.000 0.205 256 D C 0.961 177.277 176.300 0.025 0.000 0.964 256 D CA 0.732 54.745 54.000 0.020 0.000 0.847 256 D CB -0.366 40.444 40.800 0.018 0.000 0.988 256 D HN 0.511 nan 8.370 nan 0.000 0.480 257 G N 1.613 110.427 108.800 0.023 0.000 2.492 257 G HA2 -0.122 3.837 3.960 -0.002 0.000 0.353 257 G HA3 -0.122 3.837 3.960 -0.002 0.000 0.353 257 G C 0.677 175.596 174.900 0.032 0.000 1.297 257 G CA 0.733 45.849 45.100 0.027 0.000 1.192 257 G HN 0.484 nan 8.290 nan 0.000 0.677 258 N N -2.173 116.547 118.700 0.033 0.000 2.116 258 N HA 0.101 4.840 4.740 -0.002 0.000 0.230 258 N C -0.150 175.382 175.510 0.037 0.000 1.326 258 N CA -0.193 52.879 53.050 0.036 0.000 0.867 258 N CB 0.345 38.851 38.487 0.032 0.000 1.174 258 N HN 0.379 nan 8.380 nan 0.000 0.506 259 I N 1.385 121.976 120.570 0.034 0.000 2.330 259 I HA 0.429 4.598 4.170 -0.002 0.000 0.286 259 I C 0.560 176.694 176.117 0.028 0.000 1.025 259 I CA -1.074 60.245 61.300 0.032 0.000 1.197 259 I CB 1.356 39.373 38.000 0.029 0.000 1.358 259 I HN 0.050 nan 8.210 nan 0.000 0.467 260 G N 5.265 114.083 108.800 0.029 0.000 2.491 260 G HA2 0.313 4.271 3.960 -0.002 0.000 0.242 260 G HA3 0.313 4.271 3.960 -0.002 0.000 0.242 260 G C -0.644 174.245 174.900 -0.019 0.000 1.266 260 G CA -0.047 45.064 45.100 0.018 0.000 0.844 260 G HN 0.656 nan 8.290 nan 0.000 0.571 261 C N 2.277 121.553 119.300 -0.040 0.000 2.396 261 C HA 0.662 5.121 4.460 -0.002 0.000 0.321 261 C C 0.135 175.043 174.990 -0.137 0.000 1.233 261 C CA -0.672 58.299 59.018 -0.078 0.000 1.440 261 C CB 0.767 28.469 27.740 -0.064 0.000 2.110 261 C HN 0.808 nan 8.230 nan 0.000 0.473 262 M N 4.327 123.824 119.600 -0.171 0.000 2.142 262 M HA 0.757 5.236 4.480 -0.002 0.000 0.299 262 M C -1.720 174.481 176.300 -0.165 0.000 0.960 262 M CA -0.048 55.124 55.300 -0.213 0.000 0.920 262 M CB 0.847 33.252 32.600 -0.326 0.000 1.541 262 M HN 0.550 nan 8.290 nan 0.000 0.429 263 V N 4.090 123.898 119.914 -0.177 0.000 3.007 263 V HA 0.520 4.638 4.120 -0.002 0.000 0.311 263 V C -0.838 175.185 176.094 -0.119 0.000 1.120 263 V CA -1.040 61.183 62.300 -0.127 0.000 0.980 263 V CB 2.488 34.229 31.823 -0.137 0.000 1.033 263 V HN 0.905 nan 8.190 nan 0.000 0.429 264 N N 2.006 120.674 118.700 -0.054 0.000 2.422 264 N HA 0.668 5.407 4.740 -0.002 0.000 0.266 264 N C -0.138 175.355 175.510 -0.028 0.000 1.007 264 N CA 0.260 53.290 53.050 -0.032 0.000 0.941 264 N CB 1.662 40.154 38.487 0.010 0.000 1.115 264 N HN 1.398 nan 8.380 nan 0.000 0.492 265 G N -0.015 108.763 108.800 -0.038 0.000 3.055 265 G HA2 0.277 4.236 3.960 -0.002 0.000 0.685 265 G HA3 0.277 4.236 3.960 -0.002 0.000 0.685 265 G C 0.366 175.258 174.900 -0.013 0.000 1.212 265 G CA -0.290 44.801 45.100 -0.014 0.000 0.822 265 G HN 0.788 nan 8.290 nan 0.000 0.610 266 A N 1.290 124.155 122.820 0.075 0.000 1.873 266 A HA 0.342 4.661 4.320 -0.002 0.000 0.215 266 A C 2.763 180.471 177.584 0.206 0.000 1.186 266 A CA 2.570 54.746 52.037 0.231 0.000 0.616 266 A CB -0.822 18.334 19.000 0.260 0.000 0.823 266 A HN 2.262 nan 8.150 nan 0.000 0.442 267 G N -0.311 108.550 108.800 0.101 0.000 2.421 267 G HA2 -0.131 3.827 3.960 -0.002 0.000 0.216 267 G HA3 -0.131 3.827 3.960 -0.002 0.000 0.216 267 G C 1.477 176.406 174.900 0.050 0.000 1.171 267 G CA 1.203 46.344 45.100 0.069 0.000 0.775 267 G HN 0.424 nan 8.290 nan 0.000 0.543 268 L N 1.372 122.604 121.223 0.016 0.000 2.093 268 L HA 0.198 4.536 4.340 -0.002 0.000 0.208 268 L C 3.074 179.943 176.870 -0.002 0.000 1.085 268 L CA 1.847 56.689 54.840 0.004 0.000 0.755 268 L CB -0.784 41.271 42.059 -0.005 0.000 0.904 268 L HN 0.252 nan 8.230 nan 0.000 0.435 269 A N -0.654 122.140 122.820 -0.043 0.000 1.865 269 A HA -0.272 4.047 4.320 -0.002 0.000 0.217 269 A C 2.293 179.900 177.584 0.037 0.000 1.191 269 A CA 2.331 54.285 52.037 -0.138 0.000 0.623 269 A CB -0.595 18.077 19.000 -0.548 0.000 0.826 269 A HN 0.490 nan 8.150 nan 0.000 0.444 270 M N -0.618 119.095 119.600 0.190 0.000 2.213 270 M HA -0.100 4.379 4.480 -0.002 0.000 0.263 270 M C 2.222 178.578 176.300 0.092 0.000 1.062 270 M CA 1.310 56.723 55.300 0.188 0.000 1.105 270 M CB -0.470 32.230 32.600 0.167 0.000 1.385 270 M HN 0.538 nan 8.290 nan 0.000 0.417 271 G N -0.602 108.238 108.800 0.065 0.000 2.403 271 G HA2 -0.146 3.813 3.960 -0.002 0.000 0.216 271 G HA3 -0.146 3.813 3.960 -0.002 0.000 0.216 271 G C 1.464 176.392 174.900 0.047 0.000 1.154 271 G CA 1.198 46.327 45.100 0.047 0.000 0.784 271 G HN 0.345 nan 8.290 nan 0.000 0.538 272 T N 1.410 115.988 114.554 0.039 0.000 2.746 272 T HA -0.086 4.263 4.350 -0.002 0.000 0.267 272 T C 2.539 177.263 174.700 0.040 0.000 1.039 272 T CA 1.354 63.475 62.100 0.034 0.000 1.142 272 T CB -0.211 68.661 68.868 0.006 0.000 0.866 272 T HN 0.193 nan 8.240 nan 0.000 0.444 273 M N 1.074 120.700 119.600 0.042 0.000 2.117 273 M HA -0.118 4.361 4.480 -0.002 0.000 0.262 273 M C 2.038 178.366 176.300 0.046 0.000 1.065 273 M CA 1.463 56.792 55.300 0.048 0.000 1.114 273 M CB -0.437 32.206 32.600 0.071 0.000 1.361 273 M HN 0.074 nan 8.290 nan 0.000 0.408 274 D N 0.495 120.922 120.400 0.046 0.000 2.117 274 D HA -0.114 4.525 4.640 -0.002 0.000 0.197 274 D C 1.860 178.181 176.300 0.035 0.000 0.987 274 D CA 1.160 55.179 54.000 0.033 0.000 0.829 274 D CB -0.322 40.494 40.800 0.027 0.000 0.961 274 D HN 0.368 nan 8.370 nan 0.000 0.460 275 I N 0.326 120.932 120.570 0.058 0.000 2.394 275 I HA -0.212 3.957 4.170 -0.002 0.000 0.251 275 I C 1.988 178.195 176.117 0.149 0.000 1.136 275 I CA 0.631 61.993 61.300 0.103 0.000 1.425 275 I CB 0.259 38.340 38.000 0.134 0.000 1.079 275 I HN -0.164 nan 8.210 nan 0.000 0.425 276 V N 0.884 120.860 119.914 0.103 0.000 2.427 276 V HA -0.267 3.852 4.120 -0.002 0.000 0.248 276 V C 2.414 178.556 176.094 0.081 0.000 1.051 276 V CA 1.922 64.282 62.300 0.100 0.000 1.048 276 V CB -0.553 31.306 31.823 0.060 0.000 0.666 276 V HN 0.368 nan 8.190 nan 0.000 0.456 277 K N 0.259 120.687 120.400 0.046 0.000 2.097 277 K HA -0.142 4.176 4.320 -0.002 0.000 0.205 277 K C 1.893 178.489 176.600 -0.007 0.000 1.050 277 K CA 1.398 57.698 56.287 0.022 0.000 0.938 277 K CB -0.534 31.974 32.500 0.013 0.000 0.718 277 K HN 0.297 nan 8.250 nan 0.000 0.442 278 L N 0.717 121.915 121.223 -0.043 0.000 2.046 278 L HA -0.137 4.202 4.340 -0.002 0.000 0.208 278 L C 1.267 177.989 176.870 -0.246 0.000 1.077 278 L CA 1.866 56.612 54.840 -0.156 0.000 0.747 278 L CB -0.491 41.434 42.059 -0.223 0.000 0.896 278 L HN 0.367 nan 8.230 nan 0.000 0.432 279 H N -0.383 118.694 119.070 0.011 0.000 2.645 279 H HA 0.294 4.849 4.556 -0.002 0.000 0.300 279 H C 1.474 176.808 175.328 0.010 0.000 1.065 279 H CA 0.612 56.666 56.048 0.011 0.000 1.173 279 H CB -0.331 29.438 29.762 0.011 0.000 1.383 279 H HN 0.525 nan 8.280 nan 0.000 0.566 280 G N 0.109 108.942 108.800 0.056 0.000 2.199 280 G HA2 -0.250 3.709 3.960 -0.002 0.000 0.254 280 G HA3 -0.250 3.709 3.960 -0.002 0.000 0.254 280 G C 0.851 175.778 174.900 0.045 0.000 0.982 280 G CA 0.123 45.250 45.100 0.045 0.000 0.632 280 G HN 0.721 nan 8.290 nan 0.000 0.529 281 G N -0.657 108.177 108.800 0.057 0.000 2.528 281 G HA2 0.576 4.535 3.960 -0.002 0.000 0.289 281 G HA3 0.576 4.535 3.960 -0.002 0.000 0.289 281 G C -0.619 174.302 174.900 0.035 0.000 1.192 281 G CA -0.132 44.995 45.100 0.046 0.000 0.921 281 G HN 0.267 nan 8.290 nan 0.000 0.512 282 E N 0.827 121.045 120.200 0.031 0.000 2.220 282 E HA 0.364 4.712 4.350 -0.002 0.000 0.256 282 E C -2.355 174.262 176.600 0.028 0.000 0.881 282 E CA -2.011 54.405 56.400 0.027 0.000 0.766 282 E CB 2.357 32.072 29.700 0.024 0.000 1.187 282 E HN 0.202 nan 8.360 nan 0.000 0.419 283 P HA 0.031 nan 4.420 nan 0.000 0.271 283 P C -0.217 177.098 177.300 0.025 0.000 1.220 283 P CA 0.082 63.198 63.100 0.027 0.000 0.768 283 P CB 1.714 33.433 31.700 0.031 0.000 0.848 284 A N 3.818 126.655 122.820 0.028 0.000 2.072 284 A HA 0.036 4.355 4.320 -0.002 0.000 0.216 284 A C 0.920 178.517 177.584 0.021 0.000 1.156 284 A CA 0.744 52.802 52.037 0.034 0.000 0.701 284 A CB -0.399 18.632 19.000 0.052 0.000 0.816 284 A HN 0.803 nan 8.150 nan 0.000 0.458 285 N N -2.363 116.341 118.700 0.008 0.000 3.185 285 N HA 0.261 5.000 4.740 -0.002 0.000 0.238 285 N C -1.494 174.018 175.510 0.004 0.000 1.451 285 N CA -0.550 52.468 53.050 -0.053 0.000 0.888 285 N CB 0.624 39.087 38.487 -0.040 0.000 1.413 285 N HN 0.085 nan 8.380 nan 0.000 0.511 286 F N 0.969 120.792 119.950 -0.212 0.000 2.458 286 F HA 0.753 5.279 4.527 -0.002 0.000 0.336 286 F C -1.522 174.216 175.800 -0.104 0.000 1.114 286 F CA -0.837 57.086 58.000 -0.128 0.000 0.987 286 F CB 1.177 40.100 39.000 -0.128 0.000 1.130 286 F HN 0.491 nan 8.300 nan 0.000 0.458 287 L N 6.537 127.400 121.223 -0.601 0.000 2.596 287 L HA 0.375 4.713 4.340 -0.002 0.000 0.265 287 L C -2.010 174.528 176.870 -0.553 0.000 0.962 287 L CA -0.509 54.125 54.840 -0.343 0.000 0.891 287 L CB 1.175 43.216 42.059 -0.030 0.000 1.248 287 L HN 0.722 nan 8.230 nan 0.000 0.410 288 D N 3.725 123.803 120.400 -0.536 0.000 2.329 288 D HA 0.288 4.927 4.640 -0.002 0.000 0.232 288 D C 0.656 176.886 176.300 -0.116 0.000 1.088 288 D CA -0.293 53.497 54.000 -0.351 0.000 0.835 288 D CB 1.753 42.397 40.800 -0.259 0.000 1.078 288 D HN 0.323 nan 8.370 nan 0.000 0.495 289 V N 3.834 123.690 119.914 -0.097 0.000 2.970 289 V HA 0.104 4.223 4.120 -0.002 0.000 0.260 289 V C 2.159 178.257 176.094 0.007 0.000 1.100 289 V CA 1.520 63.799 62.300 -0.036 0.000 1.122 289 V CB -0.775 31.020 31.823 -0.046 0.000 0.721 289 V HN 0.988 nan 8.190 nan 0.000 0.483 290 G N -0.199 108.603 108.800 0.003 0.000 2.347 290 G HA2 -0.133 3.826 3.960 -0.002 0.000 0.247 290 G HA3 -0.133 3.826 3.960 -0.002 0.000 0.247 290 G C 0.891 175.809 174.900 0.030 0.000 1.037 290 G CA 0.102 45.218 45.100 0.028 0.000 0.622 290 G HN 1.951 nan 8.290 nan 0.000 0.521 291 G N -1.469 107.349 108.800 0.030 0.000 2.826 291 G HA2 0.566 4.525 3.960 -0.002 0.000 0.623 291 G HA3 0.566 4.525 3.960 -0.002 0.000 0.623 291 G C 1.065 175.990 174.900 0.041 0.000 1.127 291 G CA 0.874 45.995 45.100 0.035 0.000 1.165 291 G HN 2.512 nan 8.290 nan 0.000 0.504 292 G N -0.269 108.557 108.800 0.045 0.000 4.112 292 G HA2 0.489 4.448 3.960 -0.002 0.000 0.223 292 G HA3 0.489 4.448 3.960 -0.002 0.000 0.223 292 G C 0.765 175.700 174.900 0.058 0.000 0.883 292 G CA 1.228 46.361 45.100 0.054 0.000 1.195 292 G HN 2.259 nan 8.290 nan 0.000 0.730 293 A N 1.641 124.486 122.820 0.043 0.000 3.230 293 A HA 0.427 4.746 4.320 -0.002 0.000 0.262 293 A C 1.478 179.086 177.584 0.040 0.000 2.085 293 A CA 1.400 53.459 52.037 0.036 0.000 1.577 293 A CB -1.317 17.698 19.000 0.026 0.000 0.778 293 A HN 1.601 nan 8.150 nan 0.000 0.595 294 T N -2.691 111.895 114.554 0.054 0.000 2.788 294 T HA 0.215 4.564 4.350 -0.002 0.000 0.287 294 T C 1.169 175.891 174.700 0.037 0.000 1.007 294 T CA 0.040 62.172 62.100 0.053 0.000 1.005 294 T CB 0.921 69.837 68.868 0.080 0.000 1.012 294 T HN 0.449 nan 8.240 nan 0.000 0.530 295 K N 0.251 120.669 120.400 0.029 0.000 2.063 295 K HA -0.183 4.136 4.320 -0.002 0.000 0.208 295 K C 2.025 178.614 176.600 -0.018 0.000 1.048 295 K CA 1.891 58.184 56.287 0.011 0.000 0.928 295 K CB -0.213 32.291 32.500 0.007 0.000 0.713 295 K HN 0.706 nan 8.250 nan 0.000 0.442 296 E N 0.159 120.356 120.200 -0.005 0.000 2.051 296 E HA -0.171 4.178 4.350 -0.002 0.000 0.192 296 E C 2.048 178.494 176.600 -0.256 0.000 0.991 296 E CA 1.308 57.662 56.400 -0.077 0.000 0.799 296 E CB -0.121 29.645 29.700 0.110 0.000 0.748 296 E HN 0.229 nan 8.360 nan 0.000 0.449 297 R N 0.244 120.695 120.500 -0.081 0.000 2.075 297 R HA -0.092 4.247 4.340 -0.002 0.000 0.232 297 R C 2.042 178.265 176.300 -0.130 0.000 1.126 297 R CA 1.089 57.131 56.100 -0.098 0.000 0.963 297 R CB -0.189 30.175 30.300 0.107 0.000 0.858 297 R HN 0.069 nan 8.270 nan 0.000 0.435 298 V N 0.215 120.103 119.914 -0.044 0.000 2.427 298 V HA -0.216 3.903 4.120 -0.002 0.000 0.248 298 V C 2.109 178.253 176.094 0.083 0.000 1.051 298 V CA 2.224 64.534 62.300 0.018 0.000 1.048 298 V CB -0.460 31.416 31.823 0.088 0.000 0.666 298 V HN 0.470 nan 8.190 nan 0.000 0.456 299 T N -0.587 113.960 114.554 -0.011 0.000 2.684 299 T HA -0.192 4.157 4.350 -0.002 0.000 0.267 299 T C 1.941 176.571 174.700 -0.117 0.000 1.036 299 T CA 1.487 63.567 62.100 -0.033 0.000 1.148 299 T CB -0.239 68.554 68.868 -0.125 0.000 0.863 299 T HN 0.407 nan 8.240 nan 0.000 0.436 300 E N 1.085 121.071 120.200 -0.357 0.000 2.077 300 E HA -0.053 4.296 4.350 -0.002 0.000 0.193 300 E C 2.571 179.009 176.600 -0.270 0.000 0.989 300 E CA 1.192 57.293 56.400 -0.498 0.000 0.800 300 E CB -0.626 28.444 29.700 -1.050 0.000 0.746 300 E HN 0.494 nan 8.360 nan 0.000 0.452 301 A N 0.426 123.125 122.820 -0.201 0.000 1.917 301 A HA -0.195 4.124 4.320 -0.002 0.000 0.219 301 A C 2.139 179.626 177.584 -0.162 0.000 1.182 301 A CA 1.438 53.371 52.037 -0.173 0.000 0.633 301 A CB -0.888 17.997 19.000 -0.193 0.000 0.819 301 A HN 0.187 nan 8.150 nan 0.000 0.448 302 F N 0.042 119.919 119.950 -0.122 0.000 2.113 302 F HA -0.100 4.426 4.527 -0.002 0.000 0.297 302 F C 2.364 178.101 175.800 -0.105 0.000 1.103 302 F CA 1.889 59.834 58.000 -0.092 0.000 1.248 302 F CB -0.254 38.696 39.000 -0.083 0.000 0.999 302 F HN 0.110 nan 8.300 nan 0.000 0.475 303 K N 0.252 120.687 120.400 0.059 0.000 2.044 303 K HA -0.223 4.096 4.320 -0.002 0.000 0.210 303 K C 2.036 178.594 176.600 -0.071 0.000 1.049 303 K CA 1.978 58.249 56.287 -0.025 0.000 0.927 303 K CB -0.561 31.887 32.500 -0.086 0.000 0.713 303 K HN 0.270 nan 8.250 nan 0.000 0.443 304 I N 0.793 121.278 120.570 -0.141 0.000 2.202 304 I HA -0.276 3.893 4.170 -0.002 0.000 0.242 304 I C 2.261 178.224 176.117 -0.257 0.000 1.091 304 I CA 1.203 62.347 61.300 -0.259 0.000 1.368 304 I CB -0.201 37.575 38.000 -0.373 0.000 1.058 304 I HN 0.128 nan 8.210 nan 0.000 0.410 305 I N 0.395 120.884 120.570 -0.136 0.000 2.226 305 I HA -0.291 3.877 4.170 -0.002 0.000 0.245 305 I C 2.290 178.429 176.117 0.036 0.000 1.100 305 I CA 1.485 62.784 61.300 -0.001 0.000 1.374 305 I CB -0.253 37.739 38.000 -0.015 0.000 1.057 305 I HN 0.201 nan 8.210 nan 0.000 0.413 306 L N 0.412 121.660 121.223 0.040 0.000 2.291 306 L HA -0.109 4.230 4.340 -0.002 0.000 0.214 306 L C 2.594 179.481 176.870 0.028 0.000 1.120 306 L CA 0.964 55.838 54.840 0.056 0.000 0.799 306 L CB -0.584 41.524 42.059 0.082 0.000 0.925 306 L HN 0.343 nan 8.230 nan 0.000 0.446 307 S N -1.424 114.274 115.700 -0.004 0.000 2.528 307 S HA -0.168 4.301 4.470 -0.002 0.000 0.244 307 S C 0.804 175.416 174.600 0.020 0.000 0.982 307 S CA 0.511 58.707 58.200 -0.007 0.000 0.953 307 S CB -0.524 62.651 63.200 -0.040 0.000 0.754 307 S HN 0.381 nan 8.310 nan 0.000 0.529 308 D N 1.409 121.836 120.400 0.044 0.000 2.396 308 D HA 0.222 4.861 4.640 -0.002 0.000 0.225 308 D C 0.300 176.631 176.300 0.052 0.000 1.121 308 D CA -0.492 53.547 54.000 0.065 0.000 0.853 308 D CB 0.865 41.727 40.800 0.103 0.000 1.043 308 D HN -0.099 nan 8.370 nan 0.000 0.500 309 D N 2.757 123.181 120.400 0.041 0.000 2.228 309 D HA -0.167 4.472 4.640 -0.002 0.000 0.203 309 D C 1.372 177.693 176.300 0.036 0.000 0.988 309 D CA 0.917 54.937 54.000 0.034 0.000 0.864 309 D CB 0.472 41.288 40.800 0.028 0.000 0.928 309 D HN 0.421 nan 8.370 nan 0.000 0.469 310 K N 0.196 120.620 120.400 0.041 0.000 2.365 310 K HA 0.025 4.343 4.320 -0.002 0.000 0.199 310 K C 0.612 177.237 176.600 0.041 0.000 1.045 310 K CA -0.040 56.270 56.287 0.039 0.000 0.962 310 K CB -0.441 32.083 32.500 0.040 0.000 0.759 310 K HN 0.066 nan 8.250 nan 0.000 0.469 311 V N 3.375 123.318 119.914 0.049 0.000 2.493 311 V HA -0.023 4.096 4.120 -0.002 0.000 0.292 311 V C 1.294 177.415 176.094 0.046 0.000 1.016 311 V CA 0.499 62.830 62.300 0.052 0.000 1.097 311 V CB 0.598 32.459 31.823 0.064 0.000 0.947 311 V HN 0.154 nan 8.190 nan 0.000 0.479 312 K N 3.056 123.481 120.400 0.041 0.000 2.380 312 K HA 0.522 4.841 4.320 -0.002 0.000 0.198 312 K C 0.251 176.875 176.600 0.039 0.000 1.070 312 K CA 0.545 56.854 56.287 0.036 0.000 1.040 312 K CB 1.423 33.940 32.500 0.030 0.000 0.903 312 K HN 0.753 nan 8.250 nan 0.000 0.549 313 A N 0.305 123.153 122.820 0.046 0.000 2.610 313 A HA 0.629 4.948 4.320 -0.002 0.000 0.291 313 A C -1.481 176.139 177.584 0.059 0.000 1.086 313 A CA -0.576 51.492 52.037 0.052 0.000 0.677 313 A CB 1.615 20.639 19.000 0.039 0.000 1.278 313 A HN -0.139 nan 8.150 nan 0.000 0.414 314 V N 1.069 121.028 119.914 0.075 0.000 2.638 314 V HA 0.573 4.692 4.120 -0.002 0.000 0.306 314 V C -1.085 175.032 176.094 0.038 0.000 1.052 314 V CA -0.442 61.892 62.300 0.057 0.000 0.885 314 V CB 1.525 33.415 31.823 0.113 0.000 0.999 314 V HN 0.943 nan 8.190 nan 0.000 0.424 315 L N 6.640 127.861 121.223 -0.002 0.000 2.287 315 L HA 0.714 5.053 4.340 -0.002 0.000 0.287 315 L C -0.569 176.275 176.870 -0.043 0.000 1.022 315 L CA 0.091 54.927 54.840 -0.007 0.000 0.814 315 L CB 1.583 43.640 42.059 -0.003 0.000 1.217 315 L HN 0.440 nan 8.230 nan 0.000 0.420 316 V N 5.064 124.960 119.914 -0.030 0.000 2.398 316 V HA 0.502 4.621 4.120 -0.002 0.000 0.286 316 V C -0.362 175.717 176.094 -0.026 0.000 1.026 316 V CA -0.556 61.712 62.300 -0.053 0.000 0.868 316 V CB 1.344 33.157 31.823 -0.017 0.000 0.982 316 V HN 0.828 nan 8.190 nan 0.000 0.443 317 N N 5.233 123.915 118.700 -0.031 0.000 2.531 317 N HA 0.442 5.181 4.740 -0.002 0.000 0.268 317 N C -1.395 174.124 175.510 0.014 0.000 1.023 317 N CA -0.438 52.611 53.050 -0.001 0.000 0.896 317 N CB 0.973 39.465 38.487 0.008 0.000 1.233 317 N HN 0.431 nan 8.380 nan 0.000 0.512 318 I N 3.564 124.148 120.570 0.022 0.000 2.382 318 I HA 0.366 4.535 4.170 -0.002 0.000 0.285 318 I C -0.908 175.260 176.117 0.084 0.000 1.007 318 I CA -0.688 60.638 61.300 0.044 0.000 1.142 318 I CB 0.506 38.516 38.000 0.016 0.000 1.289 318 I HN 0.398 nan 8.210 nan 0.000 0.453 319 F N 5.885 125.827 119.950 -0.014 0.000 2.382 319 F HA 0.691 5.217 4.527 -0.002 0.000 0.361 319 F C 0.749 176.546 175.800 -0.004 0.000 1.109 319 F CA -0.012 57.983 58.000 -0.007 0.000 1.031 319 F CB 0.924 39.920 39.000 -0.006 0.000 1.234 319 F HN 0.793 nan 8.300 nan 0.000 0.445 320 G N 3.253 112.245 108.800 0.319 0.000 2.512 320 G HA2 0.356 4.315 3.960 -0.002 0.000 0.254 320 G HA3 0.356 4.315 3.960 -0.002 0.000 0.254 320 G C 0.246 175.219 174.900 0.122 0.000 1.199 320 G CA -0.045 45.195 45.100 0.232 0.000 0.941 320 G HN 2.258 nan 8.290 nan 0.000 0.569 321 G N -2.189 106.668 108.800 0.095 0.000 2.566 321 G HA2 0.314 4.272 3.960 -0.002 0.000 0.599 321 G HA3 0.314 4.272 3.960 -0.002 0.000 0.599 321 G C 0.700 175.630 174.900 0.048 0.000 1.292 321 G CA 0.726 45.863 45.100 0.061 0.000 0.922 321 G HN 2.368 nan 8.290 nan 0.000 0.514 322 I N -2.197 118.397 120.570 0.039 0.000 3.793 322 I HA 0.509 4.678 4.170 -0.002 0.000 0.315 322 I C 0.340 176.475 176.117 0.030 0.000 1.275 322 I CA -0.252 61.068 61.300 0.033 0.000 1.214 322 I CB 0.104 38.122 38.000 0.030 0.000 1.018 322 I HN 0.307 nan 8.210 nan 0.000 0.439 323 V N 2.058 121.990 119.914 0.030 0.000 2.495 323 V HA 0.413 4.531 4.120 -0.002 0.000 0.298 323 V C 0.383 176.489 176.094 0.020 0.000 1.031 323 V CA -0.762 61.553 62.300 0.025 0.000 0.871 323 V CB 1.505 33.344 31.823 0.027 0.000 0.988 323 V HN 0.259 nan 8.190 nan 0.000 0.432 324 R N 1.840 122.349 120.500 0.014 0.000 2.640 324 R HA 0.067 4.405 4.340 -0.002 0.000 0.270 324 R C 1.023 177.324 176.300 0.002 0.000 1.024 324 R CA -0.256 55.848 56.100 0.007 0.000 1.085 324 R CB 0.170 30.472 30.300 0.004 0.000 0.963 324 R HN 0.877 nan 8.270 nan 0.000 0.426 325 C N 1.919 121.214 119.300 -0.008 0.000 2.385 325 C HA -0.185 4.274 4.460 -0.002 0.000 0.275 325 C C 2.357 177.342 174.990 -0.008 0.000 1.207 325 C CA 1.448 60.458 59.018 -0.013 0.000 1.760 325 C CB -0.903 26.817 27.740 -0.032 0.000 2.051 325 C HN 0.939 nan 8.230 nan 0.000 0.467 326 D N 1.053 121.447 120.400 -0.009 0.000 2.158 326 D HA -0.187 4.452 4.640 -0.002 0.000 0.197 326 D C 1.845 178.145 176.300 -0.001 0.000 0.995 326 D CA 1.394 55.390 54.000 -0.006 0.000 0.846 326 D CB -0.756 40.040 40.800 -0.007 0.000 0.941 326 D HN 0.514 nan 8.370 nan 0.000 0.456 327 L N 0.086 121.311 121.223 0.003 0.000 2.156 327 L HA -0.021 4.318 4.340 -0.002 0.000 0.208 327 L C 2.836 179.713 176.870 0.012 0.000 1.095 327 L CA 0.481 55.326 54.840 0.008 0.000 0.770 327 L CB -0.260 41.806 42.059 0.011 0.000 0.914 327 L HN -0.004 nan 8.230 nan 0.000 0.439 328 I N 0.037 120.615 120.570 0.013 0.000 2.315 328 I HA -0.236 3.933 4.170 -0.002 0.000 0.248 328 I C 2.812 178.943 176.117 0.023 0.000 1.117 328 I CA 1.015 62.328 61.300 0.020 0.000 1.404 328 I CB -0.382 37.629 38.000 0.017 0.000 1.071 328 I HN 0.183 nan 8.210 nan 0.000 0.419 329 A N 0.638 123.465 122.820 0.013 0.000 1.877 329 A HA -0.238 4.081 4.320 -0.002 0.000 0.216 329 A C 1.956 179.543 177.584 0.005 0.000 1.186 329 A CA 2.008 54.051 52.037 0.010 0.000 0.620 329 A CB -0.571 18.428 19.000 -0.000 0.000 0.822 329 A HN 0.310 nan 8.150 nan 0.000 0.443 330 D N -0.356 120.045 120.400 0.001 0.000 2.144 330 D HA -0.084 4.555 4.640 -0.002 0.000 0.199 330 D C 2.052 178.349 176.300 -0.006 0.000 0.984 330 D CA 1.492 55.488 54.000 -0.006 0.000 0.834 330 D CB -0.636 40.162 40.800 -0.004 0.000 0.955 330 D HN 0.442 nan 8.370 nan 0.000 0.465 331 G N 0.322 109.127 108.800 0.008 0.000 2.422 331 G HA2 -0.157 3.802 3.960 -0.002 0.000 0.218 331 G HA3 -0.157 3.802 3.960 -0.002 0.000 0.218 331 G C 1.774 176.687 174.900 0.022 0.000 1.140 331 G CA 0.094 45.202 45.100 0.013 0.000 0.775 331 G HN 0.265 nan 8.290 nan 0.000 0.545 332 I N 0.266 120.862 120.570 0.044 0.000 2.353 332 I HA -0.040 4.129 4.170 -0.002 0.000 0.248 332 I C 2.550 178.621 176.117 -0.077 0.000 1.119 332 I CA 0.490 61.831 61.300 0.069 0.000 1.417 332 I CB -0.064 38.010 38.000 0.122 0.000 1.078 332 I HN 0.142 nan 8.210 nan 0.000 0.421 333 I N 0.549 121.085 120.570 -0.057 0.000 2.179 333 I HA -0.217 3.952 4.170 -0.002 0.000 0.242 333 I C 2.656 178.706 176.117 -0.111 0.000 1.088 333 I CA 1.714 62.964 61.300 -0.084 0.000 1.357 333 I CB -0.807 37.164 38.000 -0.050 0.000 1.051 333 I HN 0.246 nan 8.210 nan 0.000 0.409 334 G N 0.296 109.047 108.800 -0.082 0.000 2.418 334 G HA2 -0.241 3.718 3.960 -0.002 0.000 0.217 334 G HA3 -0.241 3.718 3.960 -0.002 0.000 0.217 334 G C 1.842 176.666 174.900 -0.125 0.000 1.158 334 G CA 0.843 45.893 45.100 -0.083 0.000 0.771 334 G HN 0.495 nan 8.290 nan 0.000 0.545 335 A N 0.217 122.945 122.820 -0.154 0.000 1.858 335 A HA 0.041 4.359 4.320 -0.002 0.000 0.216 335 A C 2.616 179.967 177.584 -0.388 0.000 1.190 335 A CA 1.907 53.806 52.037 -0.230 0.000 0.617 335 A CB -0.804 18.090 19.000 -0.177 0.000 0.827 335 A HN 0.265 nan 8.150 nan 0.000 0.443 336 V N -0.139 119.476 119.914 -0.499 0.000 2.332 336 V HA -0.287 3.832 4.120 -0.002 0.000 0.248 336 V C 3.016 178.961 176.094 -0.248 0.000 1.055 336 V CA 2.145 64.172 62.300 -0.456 0.000 1.038 336 V CB -1.262 30.339 31.823 -0.370 0.000 0.651 336 V HN 0.652 nan 8.190 nan 0.000 0.450 337 A N -0.650 122.063 122.820 -0.179 0.000 1.832 337 A HA -0.227 4.091 4.320 -0.002 0.000 0.214 337 A C 2.322 179.842 177.584 -0.108 0.000 1.204 337 A CA 1.682 53.648 52.037 -0.118 0.000 0.606 337 A CB -0.629 18.318 19.000 -0.089 0.000 0.849 337 A HN 0.541 nan 8.150 nan 0.000 0.445 338 E N -0.251 119.885 120.200 -0.107 0.000 2.160 338 E HA -0.139 4.210 4.350 -0.002 0.000 0.195 338 E C 1.657 178.203 176.600 -0.090 0.000 0.991 338 E CA 1.529 57.877 56.400 -0.086 0.000 0.810 338 E CB -0.037 29.616 29.700 -0.078 0.000 0.742 338 E HN 0.321 nan 8.360 nan 0.000 0.466 339 V N -0.190 119.650 119.914 -0.123 0.000 3.235 339 V HA 0.053 4.172 4.120 -0.002 0.000 0.259 339 V C 1.171 177.211 176.094 -0.091 0.000 1.133 339 V CA 0.875 63.113 62.300 -0.103 0.000 1.128 339 V CB 0.170 31.922 31.823 -0.119 0.000 0.757 339 V HN 0.516 nan 8.190 nan 0.000 0.469 340 G N 1.204 109.939 108.800 -0.108 0.000 2.326 340 G HA2 -0.204 3.755 3.960 -0.002 0.000 0.286 340 G HA3 -0.204 3.755 3.960 -0.002 0.000 0.286 340 G C 0.016 174.866 174.900 -0.084 0.000 1.096 340 G CA 0.152 45.201 45.100 -0.085 0.000 1.003 340 G HN 0.375 nan 8.290 nan 0.000 0.503 341 V N 0.700 120.538 119.914 -0.127 0.000 2.434 341 V HA -0.011 4.108 4.120 -0.002 0.000 0.281 341 V C 1.845 177.908 176.094 -0.052 0.000 1.005 341 V CA 1.016 63.259 62.300 -0.095 0.000 1.089 341 V CB 0.427 32.146 31.823 -0.172 0.000 0.978 341 V HN 0.655 nan 8.190 nan 0.000 0.474 342 N N 2.754 121.442 118.700 -0.021 0.000 2.051 342 N HA -0.085 4.653 4.740 -0.002 0.000 0.192 342 N C 0.873 176.382 175.510 -0.003 0.000 1.049 342 N CA 1.221 54.264 53.050 -0.012 0.000 0.845 342 N CB 0.111 38.598 38.487 -0.001 0.000 1.031 342 N HN 0.685 nan 8.380 nan 0.000 0.425 343 V N 0.959 120.882 119.914 0.015 0.000 3.139 343 V HA 0.182 4.301 4.120 -0.002 0.000 0.307 343 V C -2.238 173.873 176.094 0.028 0.000 1.095 343 V CA -1.464 60.852 62.300 0.026 0.000 1.160 343 V CB 0.295 32.145 31.823 0.044 0.000 1.003 343 V HN 0.137 nan 8.190 nan 0.000 0.489 344 P HA 0.316 nan 4.420 nan 0.000 0.271 344 P C -0.835 176.497 177.300 0.054 0.000 1.218 344 P CA -0.129 62.987 63.100 0.028 0.000 0.780 344 P CB 1.274 32.986 31.700 0.020 0.000 0.901 345 V N 3.406 123.353 119.914 0.056 0.000 2.540 345 V HA 0.286 4.405 4.120 -0.002 0.000 0.302 345 V C 0.228 176.358 176.094 0.060 0.000 1.035 345 V CA -0.757 61.599 62.300 0.094 0.000 0.873 345 V CB 2.219 34.133 31.823 0.152 0.000 0.992 345 V HN 0.274 nan 8.190 nan 0.000 0.428 346 V N 5.268 125.213 119.914 0.052 0.000 2.459 346 V HA 0.585 4.704 4.120 -0.002 0.000 0.295 346 V C -0.335 175.776 176.094 0.029 0.000 1.029 346 V CA -0.527 61.790 62.300 0.028 0.000 0.874 346 V CB 1.966 33.797 31.823 0.014 0.000 0.985 346 V HN 0.628 nan 8.190 nan 0.000 0.438 347 V N 5.028 124.954 119.914 0.020 0.000 2.540 347 V HA 0.641 4.759 4.120 -0.002 0.000 0.302 347 V C -0.173 175.918 176.094 -0.005 0.000 1.035 347 V CA -0.823 61.486 62.300 0.015 0.000 0.873 347 V CB 2.001 33.839 31.823 0.025 0.000 0.992 347 V HN 0.785 nan 8.190 nan 0.000 0.428 348 R N 4.958 125.451 120.500 -0.011 0.000 2.360 348 R HA 0.643 4.982 4.340 -0.002 0.000 0.318 348 R C -1.873 174.403 176.300 -0.041 0.000 0.950 348 R CA -0.544 55.540 56.100 -0.026 0.000 0.837 348 R CB 1.148 31.440 30.300 -0.014 0.000 1.165 348 R HN 0.779 nan 8.270 nan 0.000 0.458 349 L N 3.423 124.606 121.223 -0.068 0.000 2.346 349 L HA 0.529 4.868 4.340 -0.002 0.000 0.276 349 L C -0.150 176.611 176.870 -0.182 0.000 1.006 349 L CA -0.783 53.999 54.840 -0.095 0.000 0.817 349 L CB 2.192 44.212 42.059 -0.064 0.000 1.272 349 L HN 0.405 nan 8.230 nan 0.000 0.421 350 E N 2.061 122.091 120.200 -0.284 0.000 2.275 350 E HA 0.752 5.101 4.350 -0.002 0.000 0.270 350 E C -0.211 176.160 176.600 -0.382 0.000 0.882 350 E CA -0.237 55.858 56.400 -0.509 0.000 0.758 350 E CB 2.531 31.494 29.700 -1.228 0.000 1.195 350 E HN 0.794 nan 8.360 nan 0.000 0.419 351 G N 2.884 111.531 108.800 -0.255 0.000 2.293 351 G HA2 -0.146 3.813 3.960 -0.002 0.000 0.282 351 G HA3 -0.146 3.813 3.960 -0.002 0.000 0.282 351 G C -1.111 173.749 174.900 -0.067 0.000 1.299 351 G CA -1.080 43.952 45.100 -0.113 0.000 1.018 351 G HN 0.366 nan 8.290 nan 0.000 0.478 352 N N 2.254 120.936 118.700 -0.029 0.000 2.427 352 N HA 0.270 5.009 4.740 -0.002 0.000 0.269 352 N C 0.401 175.896 175.510 -0.024 0.000 1.235 352 N CA 0.650 53.688 53.050 -0.020 0.000 0.934 352 N CB 0.447 38.932 38.487 -0.004 0.000 1.121 352 N HN 0.632 nan 8.380 nan 0.000 0.480 353 N N -0.148 118.536 118.700 -0.027 0.000 2.937 353 N HA -0.171 4.568 4.740 -0.002 0.000 0.248 353 N C 0.891 176.380 175.510 -0.035 0.000 1.069 353 N CA 0.800 53.835 53.050 -0.026 0.000 0.822 353 N CB -1.437 37.040 38.487 -0.017 0.000 1.122 353 N HN 0.617 nan 8.380 nan 0.000 0.554 354 A N 0.770 123.559 122.820 -0.052 0.000 1.869 354 A HA -0.249 4.069 4.320 -0.002 0.000 0.218 354 A C 1.956 179.510 177.584 -0.050 0.000 1.203 354 A CA 2.037 54.034 52.037 -0.066 0.000 0.638 354 A CB -0.372 18.568 19.000 -0.100 0.000 0.831 354 A HN 0.560 nan 8.150 nan 0.000 0.450 355 E N -0.945 119.229 120.200 -0.043 0.000 2.204 355 E HA -0.132 4.217 4.350 -0.002 0.000 0.194 355 E C 1.930 178.514 176.600 -0.025 0.000 0.989 355 E CA 1.080 57.461 56.400 -0.033 0.000 0.824 355 E CB -0.226 29.456 29.700 -0.030 0.000 0.756 355 E HN 0.561 nan 8.360 nan 0.000 0.477 356 L N 0.663 121.872 121.223 -0.023 0.000 2.131 356 L HA 0.065 4.404 4.340 -0.002 0.000 0.206 356 L C 2.185 179.045 176.870 -0.017 0.000 1.087 356 L CA 1.894 56.723 54.840 -0.018 0.000 0.767 356 L CB -0.620 41.430 42.059 -0.015 0.000 0.917 356 L HN 0.033 nan 8.230 nan 0.000 0.441 357 G N -0.820 107.968 108.800 -0.019 0.000 2.432 357 G HA2 -0.226 3.733 3.960 -0.002 0.000 0.219 357 G HA3 -0.226 3.733 3.960 -0.002 0.000 0.219 357 G C 1.588 176.478 174.900 -0.016 0.000 1.135 357 G CA 0.709 45.799 45.100 -0.016 0.000 0.767 357 G HN 0.617 nan 8.290 nan 0.000 0.550 358 A N 0.622 123.429 122.820 -0.021 0.000 1.902 358 A HA 0.005 4.324 4.320 -0.002 0.000 0.217 358 A C 2.199 179.774 177.584 -0.016 0.000 1.181 358 A CA 2.062 54.087 52.037 -0.020 0.000 0.623 358 A CB -0.391 18.594 19.000 -0.025 0.000 0.818 358 A HN 0.388 nan 8.150 nan 0.000 0.443 359 K N -0.110 120.280 120.400 -0.016 0.000 2.026 359 K HA -0.167 4.152 4.320 -0.002 0.000 0.208 359 K C 2.060 178.652 176.600 -0.013 0.000 1.048 359 K CA 1.717 57.995 56.287 -0.014 0.000 0.929 359 K CB -0.207 32.285 32.500 -0.014 0.000 0.713 359 K HN 0.410 nan 8.250 nan 0.000 0.439 360 K N 0.552 120.945 120.400 -0.013 0.000 2.074 360 K HA -0.145 4.174 4.320 -0.002 0.000 0.209 360 K C 2.152 178.744 176.600 -0.014 0.000 1.048 360 K CA 1.544 57.823 56.287 -0.013 0.000 0.926 360 K CB -0.118 32.376 32.500 -0.011 0.000 0.713 360 K HN 0.173 nan 8.250 nan 0.000 0.444 361 L N 0.027 121.243 121.223 -0.012 0.000 2.005 361 L HA -0.171 4.168 4.340 -0.002 0.000 0.207 361 L C 2.598 179.460 176.870 -0.014 0.000 1.072 361 L CA 1.206 56.039 54.840 -0.012 0.000 0.744 361 L CB -0.657 41.398 42.059 -0.007 0.000 0.895 361 L HN 0.207 nan 8.230 nan 0.000 0.433 362 A N -0.144 122.668 122.820 -0.013 0.000 1.908 362 A HA -0.226 4.092 4.320 -0.002 0.000 0.218 362 A C 1.659 179.235 177.584 -0.014 0.000 1.181 362 A CA 2.010 54.039 52.037 -0.013 0.000 0.627 362 A CB -0.531 18.461 19.000 -0.012 0.000 0.818 362 A HN 0.382 nan 8.150 nan 0.000 0.445 363 D N -0.549 119.843 120.400 -0.014 0.000 2.336 363 D HA 0.018 4.657 4.640 -0.002 0.000 0.229 363 D C 1.599 177.889 176.300 -0.016 0.000 1.061 363 D CA 0.998 54.990 54.000 -0.014 0.000 0.875 363 D CB 0.071 40.863 40.800 -0.013 0.000 0.904 363 D HN 0.525 nan 8.370 nan 0.000 0.525 364 S N -1.125 114.564 115.700 -0.019 0.000 2.556 364 S HA 0.288 4.757 4.470 -0.002 0.000 0.216 364 S C 1.746 176.331 174.600 -0.026 0.000 0.970 364 S CA 0.770 58.956 58.200 -0.023 0.000 0.912 364 S CB 0.280 63.464 63.200 -0.028 0.000 0.790 364 S HN 0.267 nan 8.310 nan 0.000 0.504 365 G N 1.650 110.437 108.800 -0.022 0.000 2.779 365 G HA2 -0.302 3.656 3.960 -0.002 0.000 0.230 365 G HA3 -0.302 3.656 3.960 -0.002 0.000 0.230 365 G C 0.153 175.037 174.900 -0.027 0.000 1.243 365 G CA 0.405 45.492 45.100 -0.023 0.000 0.769 365 G HN 0.586 nan 8.290 nan 0.000 0.516 366 L N 1.126 122.328 121.223 -0.035 0.000 2.516 366 L HA 0.149 4.488 4.340 -0.002 0.000 0.288 366 L C 0.976 177.826 176.870 -0.034 0.000 1.246 366 L CA 0.014 54.828 54.840 -0.043 0.000 0.844 366 L CB 0.182 42.204 42.059 -0.063 0.000 1.106 366 L HN 0.365 nan 8.230 nan 0.000 0.509 367 N N 3.488 122.168 118.700 -0.032 0.000 2.549 367 N HA 0.298 5.037 4.740 -0.002 0.000 0.267 367 N C -1.151 174.351 175.510 -0.014 0.000 1.182 367 N CA 0.188 53.226 53.050 -0.020 0.000 1.019 367 N CB -0.353 38.125 38.487 -0.016 0.000 1.380 367 N HN 0.372 nan 8.380 nan 0.000 0.505 368 I N 3.901 124.465 120.570 -0.010 0.000 2.534 368 I HA 0.281 4.450 4.170 -0.002 0.000 0.286 368 I C -0.667 175.451 176.117 0.002 0.000 1.094 368 I CA -0.838 60.463 61.300 0.002 0.000 1.055 368 I CB 1.560 39.558 38.000 -0.003 0.000 1.225 368 I HN 0.062 nan 8.210 nan 0.000 0.435 369 I N 4.643 125.217 120.570 0.006 0.000 2.353 369 I HA 0.452 4.621 4.170 -0.002 0.000 0.293 369 I C 0.740 176.857 176.117 -0.001 0.000 0.992 369 I CA -0.534 60.766 61.300 -0.000 0.000 1.268 369 I CB 1.416 39.415 38.000 -0.002 0.000 1.387 369 I HN 0.575 nan 8.210 nan 0.000 0.478 370 A N 5.666 128.482 122.820 -0.007 0.000 2.302 370 A HA 0.706 5.025 4.320 -0.002 0.000 0.295 370 A C 0.445 178.020 177.584 -0.016 0.000 1.235 370 A CA -0.401 51.630 52.037 -0.011 0.000 0.876 370 A CB 0.243 19.234 19.000 -0.015 0.000 1.133 370 A HN 0.883 nan 8.150 nan 0.000 0.533 371 A N 2.939 125.748 122.820 -0.018 0.000 2.271 371 A HA 0.608 4.926 4.320 -0.002 0.000 0.288 371 A C 0.259 177.825 177.584 -0.029 0.000 1.094 371 A CA -0.491 51.531 52.037 -0.024 0.000 0.828 371 A CB 0.382 19.367 19.000 -0.025 0.000 1.091 371 A HN 0.728 nan 8.150 nan 0.000 0.493 372 K N 0.962 121.344 120.400 -0.030 0.000 2.432 372 K HA 0.499 4.818 4.320 -0.002 0.000 0.226 372 K C 0.073 176.654 176.600 -0.031 0.000 1.057 372 K CA 0.491 56.759 56.287 -0.032 0.000 1.034 372 K CB 0.701 33.185 32.500 -0.027 0.000 1.561 372 K HN 1.461 nan 8.250 nan 0.000 0.492 373 G N 1.305 110.084 108.800 -0.034 0.000 2.712 373 G HA2 -0.234 3.725 3.960 -0.002 0.000 0.686 373 G HA3 -0.234 3.725 3.960 -0.002 0.000 0.686 373 G C 0.184 175.075 174.900 -0.015 0.000 1.321 373 G CA -0.961 44.126 45.100 -0.022 0.000 0.813 373 G HN 0.319 nan 8.290 nan 0.000 0.599 374 L N 1.196 122.424 121.223 0.009 0.000 1.978 374 L HA -0.087 4.252 4.340 -0.002 0.000 0.218 374 L C 3.163 180.024 176.870 -0.014 0.000 1.075 374 L CA 3.517 58.368 54.840 0.018 0.000 0.767 374 L CB -1.551 40.542 42.059 0.057 0.000 0.890 374 L HN 0.935 nan 8.230 nan 0.000 0.434 375 T N -0.796 113.744 114.554 -0.023 0.000 2.684 375 T HA -0.227 4.122 4.350 -0.002 0.000 0.267 375 T C 1.545 176.122 174.700 -0.205 0.000 1.036 375 T CA 1.556 63.585 62.100 -0.118 0.000 1.148 375 T CB -0.370 68.460 68.868 -0.063 0.000 0.863 375 T HN 0.472 nan 8.240 nan 0.000 0.436 376 D N 1.313 121.645 120.400 -0.113 0.000 2.092 376 D HA -0.089 4.550 4.640 -0.002 0.000 0.193 376 D C 2.272 178.515 176.300 -0.094 0.000 0.994 376 D CA 1.502 55.441 54.000 -0.101 0.000 0.828 376 D CB -0.467 40.299 40.800 -0.057 0.000 0.963 376 D HN 0.333 nan 8.370 nan 0.000 0.450 377 A N 0.535 123.316 122.820 -0.065 0.000 1.917 377 A HA -0.037 4.282 4.320 -0.002 0.000 0.219 377 A C 2.424 179.979 177.584 -0.049 0.000 1.182 377 A CA 2.700 54.712 52.037 -0.042 0.000 0.633 377 A CB -1.229 17.759 19.000 -0.021 0.000 0.819 377 A HN 0.379 nan 8.150 nan 0.000 0.448 378 A N -0.796 121.979 122.820 -0.075 0.000 1.858 378 A HA -0.227 4.091 4.320 -0.002 0.000 0.216 378 A C 2.126 179.658 177.584 -0.086 0.000 1.190 378 A CA 1.755 53.759 52.037 -0.055 0.000 0.617 378 A CB -0.743 18.240 19.000 -0.028 0.000 0.827 378 A HN 0.636 nan 8.150 nan 0.000 0.443 379 Q N -0.593 119.081 119.800 -0.210 0.000 2.077 379 Q HA -0.271 4.067 4.340 -0.002 0.000 0.206 379 Q C 2.372 178.338 176.000 -0.056 0.000 0.989 379 Q CA 2.002 57.721 55.803 -0.141 0.000 0.853 379 Q CB -0.272 28.359 28.738 -0.179 0.000 0.907 379 Q HN 0.758 nan 8.270 nan 0.000 0.418 380 Q N -0.143 119.625 119.800 -0.053 0.000 2.084 380 Q HA -0.135 4.204 4.340 -0.002 0.000 0.202 380 Q C 2.290 178.285 176.000 -0.008 0.000 0.978 380 Q CA 1.826 57.614 55.803 -0.025 0.000 0.844 380 Q CB -0.098 28.625 28.738 -0.024 0.000 0.898 380 Q HN 0.402 nan 8.270 nan 0.000 0.426 381 V N -2.011 117.900 119.914 -0.004 0.000 2.667 381 V HA -0.128 3.991 4.120 -0.002 0.000 0.252 381 V C 2.195 178.300 176.094 0.018 0.000 1.065 381 V CA 0.938 63.245 62.300 0.011 0.000 1.083 381 V CB -0.790 31.043 31.823 0.016 0.000 0.692 381 V HN 0.055 nan 8.190 nan 0.000 0.468 382 V N 0.993 120.918 119.914 0.019 0.000 2.307 382 V HA -0.165 3.954 4.120 -0.002 0.000 0.245 382 V C 2.983 179.091 176.094 0.023 0.000 1.045 382 V CA 2.202 64.520 62.300 0.030 0.000 1.024 382 V CB -0.985 30.867 31.823 0.049 0.000 0.651 382 V HN 0.590 nan 8.190 nan 0.000 0.449 383 A N -0.066 122.763 122.820 0.014 0.000 1.930 383 A HA -0.066 4.253 4.320 -0.002 0.000 0.217 383 A C 2.360 179.951 177.584 0.011 0.000 1.175 383 A CA 1.750 53.794 52.037 0.011 0.000 0.627 383 A CB -0.722 18.280 19.000 0.003 0.000 0.815 383 A HN 0.581 nan 8.150 nan 0.000 0.443 384 A N -0.487 122.340 122.820 0.011 0.000 2.131 384 A HA 0.257 4.576 4.320 -0.002 0.000 0.220 384 A C 1.189 178.783 177.584 0.016 0.000 1.158 384 A CA 1.430 53.475 52.037 0.013 0.000 0.665 384 A CB -1.006 18.003 19.000 0.015 0.000 0.795 384 A HN 0.882 nan 8.150 nan 0.000 0.460 385 V N 0.000 119.925 119.914 0.019 0.000 2.409 385 V HA 0.000 4.119 4.120 -0.002 0.000 0.244 385 V CA 0.000 62.312 62.300 0.020 0.000 1.235 385 V CB 0.000 31.837 31.823 0.024 0.000 1.184 385 V HN 0.000 nan 8.190 nan 0.000 0.556