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 1khg_1_A DATA FIRST_RESID 10 DATA SEQUENCE NLSAKVVQGS LDSLPQAVRE FLENNAELCQ PDHIHICDGS EEENGRLLGQ DATA SEQUENCE MEEEGILRRL KKYDNCWLAL TDPRDVARIE SKTVIVTQEQ RDTVPIPKTG DATA SEQUENCE LSQLGRWMSE EDFEKAFNAR FPGCMKGRTM YVIPFSMGPL GSPLSKIGIE DATA SEQUENCE LTDSPYVVAS MRIMTRMGTP VLEALGDGEF VKCLHSVGCP LPLQKPLVNN DATA SEQUENCE WPCNPELTLI AHLPDRREII SFGSGYGGNS LLGKKCFALR MASRLAKEEG DATA SEQUENCE WLAEHMLVLG ITNPEGEKKY LAAAFPSACG KTNLAMMNPS LPGWKVECVG DATA SEQUENCE DDIAWMKFDA QGHLRAINPE NGFFGVAPGT SVKTNPNAIK TIQKNTIFTN DATA SEQUENCE VAETSDGGVY WEGIDEPLAS GVTITSWKNK EWSSEDGEPC AHPNSRFCTP DATA SEQUENCE ASQCPIIDAA WESPEGVPIE GIIFGGRRPA GVPLVYEALS WQHGVFVGAA DATA SEQUENCE MRSEAXXXXX XXXKIIMHDP FAMRPFFGYN FGKYLAHWLS MAQHPAAKLP DATA SEQUENCE KIFHVNWFRK DKEGKFLWPG FGENSRVLEW MFNRIDGXXS TKLTPIGYIP DATA SEQUENCE KEDALNLKGL GHINMMELFS ISKEFWDKEV EDIEKYLVDQ VNADLPCEIE DATA SEQUENCE REILALKQRI SQM 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 10 N HA 0.000 nan 4.740 nan 0.000 0.220 10 N C 0.000 175.506 175.510 -0.007 0.000 1.280 10 N CA 0.000 53.047 53.050 -0.004 0.000 0.885 10 N CB 0.000 38.485 38.487 -0.003 0.000 1.341 11 L N 2.663 123.882 121.223 -0.006 0.000 2.005 11 L HA 0.080 4.418 4.340 -0.003 0.000 0.207 11 L C 2.416 179.284 176.870 -0.003 0.000 1.072 11 L CA 2.951 57.787 54.840 -0.008 0.000 0.744 11 L CB -1.248 40.807 42.059 -0.006 0.000 0.895 11 L HN 0.629 nan 8.230 nan 0.000 0.433 12 S N -0.039 115.661 115.700 -0.000 0.000 2.421 12 S HA -0.336 4.133 4.470 -0.003 0.000 0.239 12 S C 1.975 176.579 174.600 0.006 0.000 1.054 12 S CA 1.277 59.478 58.200 0.002 0.000 1.035 12 S CB -1.311 61.890 63.200 0.002 0.000 0.840 12 S HN 0.558 nan 8.310 nan 0.000 0.475 13 A N 1.333 124.157 122.820 0.007 0.000 2.168 13 A HA 0.104 4.423 4.320 -0.003 0.000 0.215 13 A C 1.995 179.600 177.584 0.034 0.000 1.152 13 A CA 0.803 52.849 52.037 0.015 0.000 0.716 13 A CB -0.256 18.750 19.000 0.010 0.000 0.794 13 A HN 0.607 nan 8.150 nan 0.000 0.465 14 K N -0.389 120.028 120.400 0.029 0.000 2.374 14 K HA 0.214 4.532 4.320 -0.003 0.000 0.196 14 K C -0.434 176.223 176.600 0.094 0.000 1.023 14 K CA -0.110 56.216 56.287 0.065 0.000 1.103 14 K CB 0.714 33.204 32.500 -0.017 0.000 0.848 14 K HN 0.211 nan 8.250 nan 0.000 0.528 15 V N 2.938 122.877 119.914 0.042 0.000 2.415 15 V HA -0.028 4.090 4.120 -0.003 0.000 0.267 15 V C 1.139 177.233 176.094 -0.000 0.000 1.042 15 V CA 0.015 62.323 62.300 0.013 0.000 1.000 15 V CB 0.943 32.761 31.823 -0.007 0.000 1.015 15 V HN 0.127 nan 8.190 nan 0.000 0.478 16 V N 2.063 121.964 119.914 -0.022 0.000 3.621 16 V HA 0.383 4.502 4.120 -0.003 0.000 0.285 16 V C 0.260 176.294 176.094 -0.101 0.000 1.346 16 V CA 0.331 62.597 62.300 -0.057 0.000 1.104 16 V CB -0.211 31.556 31.823 -0.092 0.000 0.913 16 V HN 0.864 nan 8.190 nan 0.000 0.432 17 Q N 0.089 119.796 119.800 -0.155 0.000 2.364 17 Q HA 0.544 4.882 4.340 -0.003 0.000 0.251 17 Q C -0.311 175.574 176.000 -0.191 0.000 0.927 17 Q CA 0.473 56.136 55.803 -0.234 0.000 0.924 17 Q CB 1.403 29.836 28.738 -0.508 0.000 1.419 17 Q HN 1.182 nan 8.270 nan 0.000 0.427 18 G N 1.604 110.332 108.800 -0.119 0.000 2.660 18 G HA2 -0.039 3.920 3.960 -0.003 0.000 0.247 18 G HA3 -0.039 3.920 3.960 -0.003 0.000 0.247 18 G C -1.056 173.815 174.900 -0.049 0.000 1.328 18 G CA -0.309 44.745 45.100 -0.077 0.000 0.884 18 G HN 1.026 nan 8.290 nan 0.000 0.531 19 S N -1.063 114.618 115.700 -0.032 0.000 2.672 19 S HA 0.584 5.053 4.470 -0.003 0.000 0.291 19 S C 1.436 176.030 174.600 -0.011 0.000 1.145 19 S CA 0.228 58.416 58.200 -0.019 0.000 1.013 19 S CB 1.362 64.553 63.200 -0.015 0.000 1.017 19 S HN 1.118 nan 8.310 nan 0.000 0.487 20 L N 3.199 124.418 121.223 -0.006 0.000 2.030 20 L HA -0.212 4.127 4.340 -0.003 0.000 0.222 20 L C 1.747 178.620 176.870 0.005 0.000 1.082 20 L CA 1.944 56.785 54.840 0.002 0.000 0.785 20 L CB -0.250 41.811 42.059 0.004 0.000 0.895 20 L HN 0.734 nan 8.230 nan 0.000 0.439 21 D N -1.170 119.232 120.400 0.003 0.000 2.351 21 D HA -0.128 4.511 4.640 -0.003 0.000 0.216 21 D C 2.105 178.407 176.300 0.003 0.000 0.968 21 D CA 1.437 55.440 54.000 0.005 0.000 0.899 21 D CB 0.013 40.815 40.800 0.003 0.000 0.907 21 D HN 0.481 nan 8.370 nan 0.000 0.514 22 S N -0.251 115.449 115.700 -0.001 0.000 2.528 22 S HA 0.037 4.506 4.470 -0.003 0.000 0.219 22 S C 0.962 175.561 174.600 -0.003 0.000 0.985 22 S CA -0.285 57.913 58.200 -0.003 0.000 0.914 22 S CB -0.068 63.127 63.200 -0.008 0.000 0.776 22 S HN 0.071 nan 8.310 nan 0.000 0.526 23 L N 2.181 123.404 121.223 0.000 0.000 2.350 23 L HA 0.495 4.833 4.340 -0.003 0.000 0.275 23 L C -2.466 174.410 176.870 0.010 0.000 1.099 23 L CA -2.502 52.337 54.840 -0.001 0.000 0.808 23 L CB 0.156 42.218 42.059 0.004 0.000 1.149 23 L HN -0.049 nan 8.230 nan 0.000 0.442 24 P HA -0.023 nan 4.420 nan 0.000 0.267 24 P C 0.100 177.436 177.300 0.059 0.000 1.200 24 P CA -0.176 62.943 63.100 0.031 0.000 0.772 24 P CB 0.630 32.349 31.700 0.033 0.000 0.855 25 Q N 3.526 123.365 119.800 0.064 0.000 2.096 25 Q HA -0.259 4.080 4.340 -0.003 0.000 0.208 25 Q C 2.005 178.078 176.000 0.122 0.000 0.993 25 Q CA 2.736 58.585 55.803 0.076 0.000 0.862 25 Q CB -1.245 27.528 28.738 0.058 0.000 0.915 25 Q HN 0.551 nan 8.270 nan 0.000 0.416 26 A N -0.815 122.103 122.820 0.164 0.000 1.883 26 A HA -0.173 4.145 4.320 -0.003 0.000 0.217 26 A C 2.317 180.153 177.584 0.420 0.000 1.186 26 A CA 1.834 54.025 52.037 0.256 0.000 0.624 26 A CB -0.999 18.165 19.000 0.273 0.000 0.822 26 A HN 0.276 nan 8.150 nan 0.000 0.444 27 V N 0.277 120.387 119.914 0.327 0.000 2.255 27 V HA -0.313 3.805 4.120 -0.003 0.000 0.247 27 V C 2.687 178.912 176.094 0.217 0.000 1.051 27 V CA 2.478 64.866 62.300 0.148 0.000 1.018 27 V CB -0.876 30.859 31.823 -0.147 0.000 0.641 27 V HN 0.725 nan 8.190 nan 0.000 0.445 28 R N 0.081 120.663 120.500 0.136 0.000 2.083 28 R HA -0.245 4.094 4.340 -0.003 0.000 0.237 28 R C 2.271 178.646 176.300 0.124 0.000 1.137 28 R CA 2.291 58.451 56.100 0.101 0.000 0.951 28 R CB -0.307 30.033 30.300 0.066 0.000 0.851 28 R HN 0.622 nan 8.270 nan 0.000 0.434 29 E N -0.527 119.768 120.200 0.160 0.000 2.110 29 E HA -0.212 4.137 4.350 -0.003 0.000 0.193 29 E C 1.680 178.402 176.600 0.204 0.000 0.988 29 E CA 1.409 57.898 56.400 0.150 0.000 0.804 29 E CB -0.219 29.563 29.700 0.137 0.000 0.745 29 E HN 0.320 nan 8.360 nan 0.000 0.458 30 F N 1.253 121.282 119.950 0.132 0.000 2.134 30 F HA -0.177 4.349 4.527 -0.002 0.000 0.299 30 F C 1.979 177.847 175.800 0.112 0.000 1.097 30 F CA 0.973 59.061 58.000 0.146 0.000 1.264 30 F CB -0.420 38.748 39.000 0.280 0.000 1.001 30 F HN 0.026 nan 8.300 nan 0.000 0.479 31 L N 0.975 122.174 121.223 -0.040 0.000 1.994 31 L HA -0.174 4.165 4.340 -0.003 0.000 0.208 31 L C 2.197 179.006 176.870 -0.102 0.000 1.071 31 L CA 2.075 56.825 54.840 -0.149 0.000 0.745 31 L CB -1.286 40.756 42.059 -0.029 0.000 0.892 31 L HN 0.261 nan 8.230 nan 0.000 0.431 32 E N -0.368 119.819 120.200 -0.022 0.000 2.070 32 E HA -0.261 4.088 4.350 -0.003 0.000 0.197 32 E C 1.912 178.502 176.600 -0.016 0.000 1.004 32 E CA 1.556 57.951 56.400 -0.008 0.000 0.805 32 E CB -0.232 29.480 29.700 0.020 0.000 0.744 32 E HN 0.561 nan 8.360 nan 0.000 0.451 33 N N 0.686 119.381 118.700 -0.008 0.000 2.120 33 N HA -0.108 4.630 4.740 -0.003 0.000 0.188 33 N C 1.367 176.868 175.510 -0.015 0.000 1.024 33 N CA 0.945 53.999 53.050 0.007 0.000 0.852 33 N CB -0.293 38.225 38.487 0.051 0.000 1.003 33 N HN 0.193 nan 8.380 nan 0.000 0.424 34 N N 0.380 119.024 118.700 -0.093 0.000 2.416 34 N HA 0.078 4.816 4.740 -0.003 0.000 0.177 34 N C 1.490 176.976 175.510 -0.039 0.000 1.036 34 N CA 0.551 53.558 53.050 -0.072 0.000 0.901 34 N CB 0.100 38.479 38.487 -0.180 0.000 0.976 34 N HN 0.188 nan 8.380 nan 0.000 0.444 35 A N 1.522 124.306 122.820 -0.060 0.000 1.873 35 A HA -0.142 4.177 4.320 -0.003 0.000 0.215 35 A C 2.089 179.662 177.584 -0.018 0.000 1.186 35 A CA 1.227 53.242 52.037 -0.037 0.000 0.616 35 A CB -0.552 18.423 19.000 -0.042 0.000 0.823 35 A HN 0.262 nan 8.150 nan 0.000 0.442 36 E N -0.922 119.271 120.200 -0.012 0.000 2.204 36 E HA -0.179 4.170 4.350 -0.003 0.000 0.195 36 E C 1.801 178.408 176.600 0.011 0.000 0.990 36 E CA 1.194 57.593 56.400 -0.001 0.000 0.821 36 E CB -0.093 29.610 29.700 0.005 0.000 0.750 36 E HN 0.499 nan 8.360 nan 0.000 0.477 37 L N -0.442 120.796 121.223 0.025 0.000 2.127 37 L HA -0.009 4.330 4.340 -0.003 0.000 0.203 37 L C 1.873 178.770 176.870 0.046 0.000 1.080 37 L CA 1.440 56.309 54.840 0.048 0.000 0.768 37 L CB -0.285 41.829 42.059 0.092 0.000 0.924 37 L HN 0.165 nan 8.230 nan 0.000 0.444 38 C N 0.067 119.397 119.300 0.050 0.000 2.594 38 C HA 0.181 4.640 4.460 -0.003 0.000 0.265 38 C C 0.843 175.841 174.990 0.012 0.000 1.351 38 C CA -0.458 58.594 59.018 0.056 0.000 1.744 38 C CB -0.752 27.041 27.740 0.088 0.000 1.890 38 C HN 0.661 nan 8.230 nan 0.000 0.551 39 Q N -0.410 119.387 119.800 -0.005 0.000 2.451 39 Q HA -0.157 4.181 4.340 -0.003 0.000 0.305 39 Q C -2.344 173.629 176.000 -0.045 0.000 1.345 39 Q CA 0.727 56.514 55.803 -0.027 0.000 0.854 39 Q CB -1.589 27.134 28.738 -0.025 0.000 1.162 39 Q HN 0.471 nan 8.270 nan 0.000 0.440 40 P HA 0.059 nan 4.420 nan 0.000 0.271 40 P C 0.458 177.681 177.300 -0.128 0.000 1.218 40 P CA -0.152 62.907 63.100 -0.069 0.000 0.780 40 P CB 0.706 32.373 31.700 -0.055 0.000 0.901 41 D N 0.262 120.556 120.400 -0.177 0.000 2.144 41 D HA -0.087 4.551 4.640 -0.003 0.000 0.199 41 D C 0.264 176.161 176.300 -0.671 0.000 0.984 41 D CA 1.802 55.564 54.000 -0.397 0.000 0.834 41 D CB -0.190 40.388 40.800 -0.370 0.000 0.955 41 D HN 0.598 nan 8.370 nan 0.000 0.465 42 H N -1.937 117.092 119.070 -0.067 0.000 2.980 42 H HA 0.465 5.019 4.556 -0.003 0.000 0.367 42 H C -0.662 174.601 175.328 -0.107 0.000 1.206 42 H CA -0.878 55.123 56.048 -0.078 0.000 1.126 42 H CB 1.994 31.708 29.762 -0.079 0.000 1.838 42 H HN -0.258 nan 8.280 nan 0.000 0.552 43 I N 1.747 122.351 120.570 0.056 0.000 2.382 43 I HA 0.160 4.329 4.170 -0.003 0.000 0.286 43 I C -0.577 175.542 176.117 0.004 0.000 1.002 43 I CA -0.221 61.076 61.300 -0.005 0.000 1.135 43 I CB 1.065 39.063 38.000 -0.003 0.000 1.288 43 I HN 0.704 nan 8.210 nan 0.000 0.448 44 H N 6.645 125.623 119.070 -0.153 0.000 2.595 44 H HA 0.545 5.100 4.556 -0.003 0.000 0.313 44 H C -0.837 174.507 175.328 0.027 0.000 1.023 44 H CA -0.519 55.478 56.048 -0.085 0.000 1.218 44 H CB 1.179 30.833 29.762 -0.179 0.000 1.403 44 H HN 0.532 nan 8.280 nan 0.000 0.477 45 I N 6.379 126.930 120.570 -0.030 0.000 2.294 45 I HA 0.052 4.220 4.170 -0.003 0.000 0.295 45 I C 0.140 176.302 176.117 0.075 0.000 1.098 45 I CA -0.437 60.894 61.300 0.051 0.000 1.277 45 I CB 0.100 38.091 38.000 -0.015 0.000 1.434 45 I HN 0.658 nan 8.210 nan 0.000 0.498 46 C N 5.171 124.651 119.300 0.300 0.000 2.642 46 C HA -0.000 4.458 4.460 -0.003 0.000 0.420 46 C C 1.561 176.633 174.990 0.135 0.000 1.349 46 C CA -0.319 58.882 59.018 0.304 0.000 1.821 46 C CB -0.318 27.572 27.740 0.251 0.000 2.637 46 C HN 0.804 nan 8.230 nan 0.000 0.605 47 D N -0.042 120.426 120.400 0.112 0.000 2.417 47 D HA 0.152 4.790 4.640 -0.003 0.000 0.207 47 D C 1.428 177.759 176.300 0.052 0.000 1.075 47 D CA 0.668 54.702 54.000 0.056 0.000 0.851 47 D CB -0.252 40.564 40.800 0.027 0.000 0.976 47 D HN 0.943 nan 8.370 nan 0.000 0.505 48 G N 0.685 109.523 108.800 0.063 0.000 2.162 48 G HA2 -0.291 3.667 3.960 -0.003 0.000 0.260 48 G HA3 -0.291 3.667 3.960 -0.003 0.000 0.260 48 G C 0.409 175.324 174.900 0.025 0.000 0.976 48 G CA 0.659 45.781 45.100 0.037 0.000 0.655 48 G HN 0.876 nan 8.290 nan 0.000 0.533 49 S N -0.598 115.121 115.700 0.031 0.000 2.603 49 S HA 0.505 4.973 4.470 -0.003 0.000 0.268 49 S C 1.149 175.761 174.600 0.020 0.000 1.317 49 S CA 0.429 58.644 58.200 0.025 0.000 1.012 49 S CB 1.616 64.832 63.200 0.027 0.000 0.926 49 S HN 0.386 nan 8.310 nan 0.000 0.539 50 E N 1.180 121.391 120.200 0.020 0.000 2.085 50 E HA -0.206 4.142 4.350 -0.003 0.000 0.194 50 E C 1.781 178.393 176.600 0.021 0.000 0.994 50 E CA 1.708 58.120 56.400 0.020 0.000 0.801 50 E CB -0.207 29.509 29.700 0.028 0.000 0.743 50 E HN 0.776 nan 8.360 nan 0.000 0.453 51 E N 0.956 121.172 120.200 0.026 0.000 2.070 51 E HA -0.241 4.107 4.350 -0.003 0.000 0.197 51 E C 1.946 178.564 176.600 0.030 0.000 1.004 51 E CA 1.436 57.853 56.400 0.029 0.000 0.805 51 E CB -0.151 29.567 29.700 0.029 0.000 0.744 51 E HN 0.317 nan 8.360 nan 0.000 0.451 52 E N 0.464 120.687 120.200 0.038 0.000 2.077 52 E HA -0.288 4.061 4.350 -0.003 0.000 0.193 52 E C 1.931 178.534 176.600 0.005 0.000 0.989 52 E CA 1.412 57.847 56.400 0.059 0.000 0.800 52 E CB -0.121 29.640 29.700 0.101 0.000 0.746 52 E HN 0.129 nan 8.360 nan 0.000 0.452 53 N N -0.094 118.593 118.700 -0.022 0.000 2.069 53 N HA -0.121 4.618 4.740 -0.003 0.000 0.191 53 N C 1.841 177.294 175.510 -0.096 0.000 1.031 53 N CA 1.910 54.914 53.050 -0.076 0.000 0.852 53 N CB -0.669 37.781 38.487 -0.062 0.000 1.018 53 N HN 0.258 nan 8.380 nan 0.000 0.423 54 G N 0.353 109.130 108.800 -0.040 0.000 2.440 54 G HA2 -0.267 3.691 3.960 -0.003 0.000 0.218 54 G HA3 -0.267 3.691 3.960 -0.003 0.000 0.218 54 G C 1.646 176.522 174.900 -0.040 0.000 1.154 54 G CA 0.612 45.699 45.100 -0.023 0.000 0.767 54 G HN 0.303 nan 8.290 nan 0.000 0.552 55 R N -0.232 120.257 120.500 -0.018 0.000 2.070 55 R HA 0.045 4.383 4.340 -0.003 0.000 0.233 55 R C 2.686 178.957 176.300 -0.048 0.000 1.137 55 R CA 1.123 57.220 56.100 -0.005 0.000 0.945 55 R CB -0.639 29.683 30.300 0.036 0.000 0.845 55 R HN 0.327 nan 8.270 nan 0.000 0.430 56 L N 0.800 121.968 121.223 -0.091 0.000 2.079 56 L HA -0.209 4.130 4.340 -0.003 0.000 0.210 56 L C 2.456 179.200 176.870 -0.209 0.000 1.081 56 L CA 1.185 55.931 54.840 -0.157 0.000 0.752 56 L CB -0.436 41.477 42.059 -0.242 0.000 0.896 56 L HN 0.224 nan 8.230 nan 0.000 0.433 57 L N -0.725 120.319 121.223 -0.297 0.000 2.027 57 L HA -0.111 4.227 4.340 -0.003 0.000 0.206 57 L C 2.723 179.375 176.870 -0.363 0.000 1.074 57 L CA 1.409 55.926 54.840 -0.538 0.000 0.745 57 L CB -1.188 40.333 42.059 -0.896 0.000 0.898 57 L HN 0.280 nan 8.230 nan 0.000 0.433 58 G N -0.860 107.842 108.800 -0.163 0.000 2.459 58 G HA2 -0.295 3.663 3.960 -0.003 0.000 0.217 58 G HA3 -0.295 3.663 3.960 -0.003 0.000 0.217 58 G C 1.483 176.389 174.900 0.009 0.000 1.183 58 G CA 0.614 45.713 45.100 -0.001 0.000 0.776 58 G HN 0.366 nan 8.290 nan 0.000 0.552 59 Q N -0.574 119.216 119.800 -0.015 0.000 2.045 59 Q HA -0.084 4.255 4.340 -0.003 0.000 0.206 59 Q C 2.727 178.733 176.000 0.010 0.000 0.991 59 Q CA 1.617 57.423 55.803 0.006 0.000 0.851 59 Q CB -0.253 28.487 28.738 0.005 0.000 0.911 59 Q HN 0.458 nan 8.270 nan 0.000 0.418 60 M N 0.087 119.668 119.600 -0.031 0.000 2.144 60 M HA -0.246 4.232 4.480 -0.003 0.000 0.260 60 M C 2.119 178.460 176.300 0.069 0.000 1.067 60 M CA 1.435 56.735 55.300 -0.000 0.000 1.095 60 M CB -0.255 32.314 32.600 -0.052 0.000 1.365 60 M HN 0.269 nan 8.290 nan 0.000 0.406 61 E N 0.144 120.398 120.200 0.090 0.000 2.051 61 E HA -0.212 4.137 4.350 -0.003 0.000 0.192 61 E C 1.851 178.534 176.600 0.138 0.000 0.991 61 E CA 1.106 57.624 56.400 0.197 0.000 0.799 61 E CB 0.189 30.070 29.700 0.302 0.000 0.748 61 E HN 0.367 nan 8.360 nan 0.000 0.449 62 E N 0.774 121.034 120.200 0.099 0.000 2.038 62 E HA -0.198 4.151 4.350 -0.003 0.000 0.195 62 E C 1.928 178.571 176.600 0.072 0.000 1.000 62 E CA 0.923 57.370 56.400 0.079 0.000 0.803 62 E CB -0.268 29.468 29.700 0.060 0.000 0.750 62 E HN 0.308 nan 8.360 nan 0.000 0.448 63 E N -0.270 119.970 120.200 0.067 0.000 2.478 63 E HA -0.058 4.290 4.350 -0.003 0.000 0.198 63 E C 0.759 177.405 176.600 0.078 0.000 1.046 63 E CA 0.694 57.131 56.400 0.062 0.000 0.870 63 E CB 0.015 29.746 29.700 0.052 0.000 0.818 63 E HN 0.426 nan 8.360 nan 0.000 0.527 64 G N 1.277 110.135 108.800 0.098 0.000 2.147 64 G HA2 -0.278 3.680 3.960 -0.003 0.000 0.244 64 G HA3 -0.278 3.680 3.960 -0.003 0.000 0.244 64 G C 0.879 175.862 174.900 0.139 0.000 1.005 64 G CA 0.553 45.722 45.100 0.116 0.000 0.713 64 G HN 0.346 nan 8.290 nan 0.000 0.515 65 I N -0.887 119.768 120.570 0.141 0.000 2.584 65 I HA 0.253 4.421 4.170 -0.003 0.000 0.255 65 I C 1.344 177.601 176.117 0.234 0.000 1.145 65 I CA 0.817 62.221 61.300 0.174 0.000 1.462 65 I CB -0.040 38.036 38.000 0.125 0.000 1.102 65 I HN 0.127 nan 8.210 nan 0.000 0.433 66 L N 0.626 121.991 121.223 0.237 0.000 2.370 66 L HA 0.516 4.854 4.340 -0.003 0.000 0.266 66 L C -0.324 176.771 176.870 0.376 0.000 1.002 66 L CA -0.645 54.395 54.840 0.334 0.000 0.818 66 L CB 2.327 44.586 42.059 0.334 0.000 1.325 66 L HN 0.012 nan 8.230 nan 0.000 0.418 67 R N 1.027 121.760 120.500 0.388 0.000 2.664 67 R HA 0.515 4.853 4.340 -0.003 0.000 0.286 67 R C -0.816 175.636 176.300 0.253 0.000 0.967 67 R CA -1.069 55.204 56.100 0.288 0.000 0.933 67 R CB 2.448 32.854 30.300 0.177 0.000 1.146 67 R HN 0.380 nan 8.270 nan 0.000 0.468 68 R N 2.154 122.645 120.500 -0.015 0.000 2.308 68 R HA 0.227 4.566 4.340 -0.003 0.000 0.305 68 R C -0.875 175.254 176.300 -0.286 0.000 1.053 68 R CA -0.088 55.696 56.100 -0.527 0.000 0.957 68 R CB 0.464 30.364 30.300 -0.666 0.000 1.022 68 R HN 0.468 nan 8.270 nan 0.000 0.461 69 L N 6.740 127.787 121.223 -0.293 0.000 2.287 69 L HA 0.274 4.612 4.340 -0.003 0.000 0.280 69 L C 1.108 177.874 176.870 -0.173 0.000 1.055 69 L CA -0.334 54.438 54.840 -0.114 0.000 0.863 69 L CB 1.024 43.141 42.059 0.096 0.000 1.245 69 L HN 0.782 nan 8.230 nan 0.000 0.432 70 K N 1.410 121.687 120.400 -0.204 0.000 2.442 70 K HA -0.138 4.180 4.320 -0.003 0.000 0.198 70 K C 1.627 178.067 176.600 -0.266 0.000 1.042 70 K CA 0.954 57.119 56.287 -0.204 0.000 0.958 70 K CB 0.089 32.495 32.500 -0.157 0.000 0.766 70 K HN 0.368 nan 8.250 nan 0.000 0.474 71 K N 0.022 120.147 120.400 -0.458 0.000 2.283 71 K HA -0.056 4.263 4.320 -0.003 0.000 0.202 71 K C -0.401 175.776 176.600 -0.704 0.000 1.048 71 K CA 0.843 56.710 56.287 -0.700 0.000 0.948 71 K CB 0.100 31.927 32.500 -1.122 0.000 0.742 71 K HN 0.240 nan 8.250 nan 0.000 0.458 72 Y N -0.699 119.560 120.300 -0.068 0.000 2.630 72 Y HA 0.198 4.747 4.550 -0.002 0.000 0.337 72 Y C -0.362 175.516 175.900 -0.037 0.000 1.051 72 Y CA -1.734 56.344 58.100 -0.036 0.000 1.121 72 Y CB 0.623 39.084 38.460 0.002 0.000 1.299 72 Y HN -0.167 nan 8.280 nan 0.000 0.498 73 D N 1.764 122.275 120.400 0.185 0.000 2.344 73 D HA 0.025 4.664 4.640 -0.003 0.000 0.253 73 D C -0.012 176.366 176.300 0.130 0.000 1.255 73 D CA 0.379 54.446 54.000 0.113 0.000 0.894 73 D CB -0.333 40.527 40.800 0.099 0.000 1.067 73 D HN 0.629 nan 8.370 nan 0.000 0.492 74 N N 2.710 121.469 118.700 0.098 0.000 2.738 74 N HA -0.208 4.530 4.740 -0.003 0.000 0.249 74 N C -1.589 174.055 175.510 0.223 0.000 1.047 74 N CA 0.405 53.567 53.050 0.187 0.000 0.707 74 N CB -1.497 37.147 38.487 0.262 0.000 0.937 74 N HN 0.308 nan 8.380 nan 0.000 0.545 75 C N 0.440 119.749 119.300 0.015 0.000 2.411 75 C HA 0.757 5.215 4.460 -0.003 0.000 0.330 75 C C 0.105 175.026 174.990 -0.116 0.000 1.224 75 C CA -0.632 58.491 59.018 0.175 0.000 1.770 75 C CB 0.214 28.149 27.740 0.324 0.000 2.297 75 C HN 0.498 nan 8.230 nan 0.000 0.507 76 W N 1.974 123.456 121.300 0.302 0.000 2.929 76 W HA 0.768 5.426 4.660 -0.003 0.000 0.345 76 W C -0.704 176.025 176.519 0.349 0.000 1.151 76 W CA -0.878 56.629 57.345 0.270 0.000 1.111 76 W CB 0.818 30.398 29.460 0.199 0.000 1.449 76 W HN 0.349 nan 8.180 nan 0.000 0.572 77 L N 2.091 123.629 121.223 0.525 0.000 2.438 77 L HA 0.883 5.222 4.340 -0.003 0.000 0.270 77 L C -0.955 176.144 176.870 0.381 0.000 0.972 77 L CA -0.852 54.243 54.840 0.425 0.000 0.831 77 L CB 1.256 43.493 42.059 0.298 0.000 1.273 77 L HN 0.516 nan 8.230 nan 0.000 0.405 78 A N 6.008 129.049 122.820 0.368 0.000 2.318 78 A HA 0.829 5.147 4.320 -0.003 0.000 0.324 78 A C -1.264 176.412 177.584 0.154 0.000 1.170 78 A CA -0.529 51.688 52.037 0.300 0.000 0.810 78 A CB 0.769 20.003 19.000 0.389 0.000 1.198 78 A HN 0.727 nan 8.150 nan 0.000 0.484 79 L N 2.332 123.618 121.223 0.104 0.000 2.346 79 L HA 0.615 4.954 4.340 -0.003 0.000 0.276 79 L C 0.711 177.477 176.870 -0.174 0.000 1.006 79 L CA -0.600 54.253 54.840 0.022 0.000 0.817 79 L CB 2.237 44.350 42.059 0.090 0.000 1.272 79 L HN 0.925 nan 8.230 nan 0.000 0.421 80 T N -2.749 111.553 114.554 -0.420 0.000 2.922 80 T HA 0.291 4.639 4.350 -0.003 0.000 0.281 80 T C -0.396 174.068 174.700 -0.394 0.000 1.005 80 T CA -0.844 60.690 62.100 -0.942 0.000 0.982 80 T CB 1.908 69.766 68.868 -1.683 0.000 1.158 80 T HN 0.466 nan 8.240 nan 0.000 0.566 81 D N 1.646 121.829 120.400 -0.361 0.000 2.383 81 D HA 0.174 4.813 4.640 -0.003 0.000 0.252 81 D C -1.183 175.084 176.300 -0.054 0.000 1.166 81 D CA -2.095 51.878 54.000 -0.045 0.000 0.879 81 D CB 1.466 42.353 40.800 0.145 0.000 1.164 81 D HN 0.266 nan 8.370 nan 0.000 0.462 82 P HA -0.106 nan 4.420 nan 0.000 0.229 82 P C 0.683 178.028 177.300 0.074 0.000 1.150 82 P CA 0.686 63.861 63.100 0.124 0.000 0.765 82 P CB 0.258 32.030 31.700 0.120 0.000 0.783 83 R N -0.563 119.967 120.500 0.050 0.000 2.310 83 R HA 0.079 4.417 4.340 -0.003 0.000 0.202 83 R C 0.252 176.582 176.300 0.050 0.000 0.933 83 R CA 0.243 56.377 56.100 0.056 0.000 1.054 83 R CB 0.012 30.354 30.300 0.070 0.000 0.985 83 R HN 0.048 nan 8.270 nan 0.000 0.489 84 D N 0.292 120.707 120.400 0.025 0.000 2.468 84 D HA 0.058 4.696 4.640 -0.003 0.000 0.272 84 D C 0.217 176.480 176.300 -0.063 0.000 1.221 84 D CA -0.296 53.746 54.000 0.070 0.000 0.860 84 D CB 1.174 42.143 40.800 0.282 0.000 1.190 84 D HN -0.035 nan 8.370 nan 0.000 0.509 85 V N 0.066 119.852 119.914 -0.214 0.000 3.382 85 V HA 0.892 5.011 4.120 -0.003 0.000 0.296 85 V C 0.399 176.016 176.094 -0.796 0.000 1.529 85 V CA 0.396 62.427 62.300 -0.447 0.000 1.048 85 V CB -0.119 31.276 31.823 -0.714 0.000 0.878 85 V HN 0.444 nan 8.190 nan 0.000 0.442 86 A N 0.240 122.477 122.820 -0.971 0.000 2.544 86 A HA 0.703 5.021 4.320 -0.003 0.000 0.291 86 A C -0.685 176.555 177.584 -0.573 0.000 1.055 86 A CA -1.089 50.198 52.037 -1.251 0.000 0.651 86 A CB 0.746 19.451 19.000 -0.492 0.000 1.296 86 A HN 0.298 nan 8.150 nan 0.000 0.431 87 R N -0.400 119.986 120.500 -0.190 0.000 2.623 87 R HA 0.332 4.670 4.340 -0.003 0.000 0.271 87 R C -1.045 175.273 176.300 0.031 0.000 1.043 87 R CA 0.462 56.623 56.100 0.101 0.000 1.083 87 R CB -0.024 30.389 30.300 0.189 0.000 0.974 87 R HN 0.431 nan 8.270 nan 0.000 0.436 88 I N 2.267 122.884 120.570 0.078 0.000 2.371 88 I HA 0.090 4.258 4.170 -0.003 0.000 0.282 88 I C 0.951 177.106 176.117 0.063 0.000 1.031 88 I CA -0.035 61.299 61.300 0.057 0.000 1.180 88 I CB 1.499 39.544 38.000 0.074 0.000 1.336 88 I HN 0.618 nan 8.210 nan 0.000 0.467 89 E N 2.415 122.631 120.200 0.025 0.000 2.051 89 E HA -0.168 4.180 4.350 -0.003 0.000 0.192 89 E C 1.784 178.407 176.600 0.037 0.000 0.991 89 E CA 1.454 57.860 56.400 0.009 0.000 0.799 89 E CB 0.005 29.678 29.700 -0.044 0.000 0.748 89 E HN 0.661 nan 8.360 nan 0.000 0.449 90 S N 0.814 116.537 115.700 0.038 0.000 2.407 90 S HA -0.168 4.300 4.470 -0.003 0.000 0.235 90 S C 1.524 176.167 174.600 0.072 0.000 1.036 90 S CA 1.352 59.582 58.200 0.050 0.000 1.013 90 S CB -0.079 63.148 63.200 0.044 0.000 0.820 90 S HN 0.085 nan 8.310 nan 0.000 0.476 91 K N 0.852 121.305 120.400 0.088 0.000 2.437 91 K HA 0.211 4.529 4.320 -0.003 0.000 0.205 91 K C -0.449 176.240 176.600 0.150 0.000 1.026 91 K CA 0.135 56.491 56.287 0.116 0.000 1.153 91 K CB 0.833 33.408 32.500 0.125 0.000 0.863 91 K HN 0.049 nan 8.250 nan 0.000 0.502 92 T N 1.136 115.775 114.554 0.141 0.000 2.770 92 T HA 0.459 4.807 4.350 -0.003 0.000 0.283 92 T C -0.728 174.072 174.700 0.167 0.000 0.988 92 T CA -0.740 61.474 62.100 0.190 0.000 0.957 92 T CB 1.168 70.139 68.868 0.172 0.000 0.930 92 T HN 0.005 nan 8.240 nan 0.000 0.443 93 V N 1.542 121.587 119.914 0.220 0.000 3.040 93 V HA 0.783 4.902 4.120 -0.003 0.000 0.312 93 V C -1.006 175.205 176.094 0.195 0.000 1.115 93 V CA -1.204 61.188 62.300 0.153 0.000 0.998 93 V CB 1.969 33.846 31.823 0.089 0.000 1.042 93 V HN 0.810 nan 8.190 nan 0.000 0.433 94 I N 2.072 122.704 120.570 0.102 0.000 2.465 94 I HA 0.572 4.741 4.170 -0.003 0.000 0.291 94 I C -0.906 175.237 176.117 0.044 0.000 1.014 94 I CA -1.010 60.347 61.300 0.095 0.000 1.093 94 I CB 2.310 40.362 38.000 0.087 0.000 1.267 94 I HN 0.469 nan 8.210 nan 0.000 0.431 95 V N 4.963 124.859 119.914 -0.031 0.000 2.334 95 V HA 0.507 4.625 4.120 -0.003 0.000 0.281 95 V C 0.063 176.184 176.094 0.046 0.000 1.016 95 V CA -0.296 61.944 62.300 -0.100 0.000 0.832 95 V CB 1.294 32.948 31.823 -0.282 0.000 0.999 95 V HN 0.900 nan 8.190 nan 0.000 0.439 96 T N 0.895 115.589 114.554 0.233 0.000 2.896 96 T HA 0.391 4.739 4.350 -0.003 0.000 0.297 96 T C 0.592 175.503 174.700 0.352 0.000 1.108 96 T CA -0.805 61.453 62.100 0.264 0.000 1.004 96 T CB 2.095 71.119 68.868 0.261 0.000 1.159 96 T HN 0.419 nan 8.240 nan 0.000 0.499 97 Q N 0.214 120.134 119.800 0.200 0.000 2.096 97 Q HA -0.045 4.293 4.340 -0.003 0.000 0.204 97 Q C 0.009 176.131 176.000 0.205 0.000 0.982 97 Q CA 1.235 57.145 55.803 0.178 0.000 0.850 97 Q CB 0.006 28.797 28.738 0.090 0.000 0.901 97 Q HN 0.622 nan 8.270 nan 0.000 0.422 98 E N 0.319 120.587 120.200 0.114 0.000 2.187 98 E HA 0.097 4.445 4.350 -0.003 0.000 0.268 98 E C 0.188 176.581 176.600 -0.346 0.000 0.896 98 E CA -0.274 56.086 56.400 -0.067 0.000 0.766 98 E CB 1.768 31.419 29.700 -0.082 0.000 1.142 98 E HN 0.152 nan 8.360 nan 0.000 0.408 99 Q N 2.861 122.107 119.800 -0.923 0.000 2.061 99 Q HA -0.197 4.141 4.340 -0.003 0.000 0.204 99 Q C 1.736 177.335 176.000 -0.669 0.000 0.984 99 Q CA 1.345 56.195 55.803 -1.589 0.000 0.846 99 Q CB 0.191 27.906 28.738 -1.705 0.000 0.902 99 Q HN 0.298 nan 8.270 nan 0.000 0.421 100 R N 0.549 120.802 120.500 -0.412 0.000 2.153 100 R HA -0.188 4.150 4.340 -0.003 0.000 0.252 100 R C 1.289 177.504 176.300 -0.140 0.000 1.158 100 R CA 1.938 57.904 56.100 -0.222 0.000 0.975 100 R CB -0.485 29.720 30.300 -0.159 0.000 0.871 100 R HN 0.450 nan 8.270 nan 0.000 0.450 101 D N -1.336 118.992 120.400 -0.120 0.000 2.312 101 D HA -0.052 4.586 4.640 -0.003 0.000 0.211 101 D C 1.364 177.690 176.300 0.044 0.000 0.964 101 D CA 1.052 55.040 54.000 -0.019 0.000 0.877 101 D CB 0.168 40.968 40.800 -0.001 0.000 0.924 101 D HN 0.241 nan 8.370 nan 0.000 0.515 102 T N -0.656 113.897 114.554 -0.003 0.000 3.004 102 T HA 0.125 4.473 4.350 -0.003 0.000 0.243 102 T C 0.793 175.517 174.700 0.039 0.000 1.020 102 T CA 0.335 62.489 62.100 0.090 0.000 1.145 102 T CB 0.711 69.722 68.868 0.237 0.000 0.876 102 T HN -0.001 nan 8.240 nan 0.000 0.449 103 V N -0.699 119.192 119.914 -0.038 0.000 3.049 103 V HA 0.669 4.787 4.120 -0.003 0.000 0.309 103 V C -3.312 172.725 176.094 -0.095 0.000 1.148 103 V CA -3.247 59.023 62.300 -0.050 0.000 0.990 103 V CB 1.894 33.714 31.823 -0.004 0.000 1.039 103 V HN -0.126 nan 8.190 nan 0.000 0.430 104 P HA 0.358 nan 4.420 nan 0.000 0.275 104 P C -0.543 176.701 177.300 -0.094 0.000 1.228 104 P CA -0.249 62.794 63.100 -0.095 0.000 0.786 104 P CB 0.366 32.011 31.700 -0.091 0.000 0.927 105 I N 4.079 124.589 120.570 -0.099 0.000 2.421 105 I HA 0.152 4.320 4.170 -0.003 0.000 0.291 105 I C -1.836 174.239 176.117 -0.070 0.000 1.089 105 I CA -2.504 58.744 61.300 -0.087 0.000 1.354 105 I CB -0.218 37.728 38.000 -0.091 0.000 1.413 105 I HN 0.173 nan 8.210 nan 0.000 0.513 106 P HA 0.183 nan 4.420 nan 0.000 0.274 106 P C 0.445 177.716 177.300 -0.048 0.000 1.237 106 P CA -0.465 62.599 63.100 -0.060 0.000 0.793 106 P CB 1.414 33.084 31.700 -0.049 0.000 0.977 107 K N -0.339 120.032 120.400 -0.049 0.000 2.103 107 K HA 0.010 4.329 4.320 -0.003 0.000 0.204 107 K C 0.946 177.531 176.600 -0.025 0.000 1.052 107 K CA 1.412 57.678 56.287 -0.036 0.000 0.945 107 K CB -0.102 32.376 32.500 -0.036 0.000 0.722 107 K HN 0.702 nan 8.250 nan 0.000 0.443 108 T N -3.488 111.053 114.554 -0.023 0.000 2.868 108 T HA 0.559 4.908 4.350 -0.003 0.000 0.306 108 T C 0.371 175.067 174.700 -0.006 0.000 1.224 108 T CA -0.366 61.727 62.100 -0.011 0.000 1.012 108 T CB 2.172 71.035 68.868 -0.007 0.000 1.221 108 T HN 0.337 nan 8.240 nan 0.000 0.499 109 G N 0.787 109.588 108.800 0.002 0.000 2.575 109 G HA2 -0.111 3.847 3.960 -0.003 0.000 0.267 109 G HA3 -0.111 3.847 3.960 -0.003 0.000 0.267 109 G C -0.784 174.123 174.900 0.011 0.000 1.264 109 G CA 0.019 45.125 45.100 0.010 0.000 0.935 109 G HN 1.054 nan 8.290 nan 0.000 0.568 110 L N -0.062 121.172 121.223 0.018 0.000 2.330 110 L HA 0.597 4.936 4.340 -0.003 0.000 0.271 110 L C 1.164 178.046 176.870 0.020 0.000 1.013 110 L CA -0.520 54.335 54.840 0.025 0.000 0.816 110 L CB 1.933 44.014 42.059 0.037 0.000 1.287 110 L HN 0.786 nan 8.230 nan 0.000 0.435 111 S N 0.595 116.307 115.700 0.020 0.000 2.552 111 S HA -0.017 4.451 4.470 -0.003 0.000 0.289 111 S C 0.591 175.206 174.600 0.025 0.000 1.304 111 S CA 0.130 58.335 58.200 0.010 0.000 1.063 111 S CB 0.473 63.681 63.200 0.013 0.000 0.848 111 S HN 0.678 nan 8.310 nan 0.000 0.499 112 Q N 3.336 123.152 119.800 0.026 0.000 2.282 112 Q HA 0.288 4.626 4.340 -0.003 0.000 0.206 112 Q C 0.743 176.767 176.000 0.040 0.000 0.878 112 Q CA 0.108 55.940 55.803 0.048 0.000 0.944 112 Q CB 0.228 29.030 28.738 0.107 0.000 1.100 112 Q HN 0.701 nan 8.270 nan 0.000 0.509 113 L N -0.353 120.883 121.223 0.022 0.000 2.667 113 L HA 0.370 4.709 4.340 -0.003 0.000 0.232 113 L C 0.643 177.565 176.870 0.088 0.000 1.138 113 L CA -0.236 54.625 54.840 0.035 0.000 0.921 113 L CB 0.606 42.617 42.059 -0.082 0.000 1.180 113 L HN 0.133 nan 8.230 nan 0.000 0.487 114 G N 0.134 108.968 108.800 0.057 0.000 2.345 114 G HA2 0.109 4.068 3.960 -0.003 0.000 0.310 114 G HA3 0.109 4.068 3.960 -0.003 0.000 0.310 114 G C -1.498 173.454 174.900 0.086 0.000 1.476 114 G CA -0.983 44.157 45.100 0.067 0.000 0.978 114 G HN -0.047 nan 8.290 nan 0.000 0.656 115 R N -0.403 120.159 120.500 0.102 0.000 2.439 115 R HA 0.444 4.782 4.340 -0.003 0.000 0.310 115 R C -1.176 175.241 176.300 0.195 0.000 0.955 115 R CA -0.656 55.526 56.100 0.136 0.000 0.853 115 R CB 2.109 32.468 30.300 0.097 0.000 1.171 115 R HN 0.611 nan 8.270 nan 0.000 0.449 116 W N 5.527 126.849 121.300 0.037 0.000 2.512 116 W HA 0.509 5.167 4.660 -0.003 0.000 0.335 116 W C -1.017 175.535 176.519 0.055 0.000 1.088 116 W CA -0.816 56.553 57.345 0.040 0.000 1.236 116 W CB 1.192 30.670 29.460 0.030 0.000 1.307 116 W HN 0.389 nan 8.180 nan 0.000 0.567 117 M N 5.582 124.583 119.600 -0.998 0.000 2.386 117 M HA 0.322 4.800 4.480 -0.003 0.000 0.293 117 M C -0.381 175.143 176.300 -1.294 0.000 1.120 117 M CA -0.604 54.105 55.300 -0.985 0.000 0.909 117 M CB 1.799 34.198 32.600 -0.335 0.000 1.661 117 M HN 0.570 nan 8.290 nan 0.000 0.452 118 S N 2.529 117.578 115.700 -1.085 0.000 2.572 118 S HA 0.155 4.623 4.470 -0.003 0.000 0.279 118 S C 0.584 175.084 174.600 -0.167 0.000 1.341 118 S CA -0.213 57.676 58.200 -0.518 0.000 1.043 118 S CB 0.917 63.979 63.200 -0.229 0.000 0.887 118 S HN 0.888 nan 8.310 nan 0.000 0.516 119 E N 1.138 121.326 120.200 -0.021 0.000 2.097 119 E HA -0.265 4.084 4.350 -0.003 0.000 0.196 119 E C 1.891 178.534 176.600 0.072 0.000 1.000 119 E CA 1.719 58.151 56.400 0.054 0.000 0.804 119 E CB -0.137 29.600 29.700 0.062 0.000 0.740 119 E HN 0.927 nan 8.360 nan 0.000 0.454 120 E N 0.716 120.936 120.200 0.033 0.000 2.031 120 E HA -0.225 4.123 4.350 -0.003 0.000 0.193 120 E C 1.594 178.198 176.600 0.007 0.000 0.994 120 E CA 1.437 57.850 56.400 0.021 0.000 0.800 120 E CB 0.108 29.821 29.700 0.021 0.000 0.752 120 E HN 0.136 nan 8.360 nan 0.000 0.447 121 D N -0.192 120.198 120.400 -0.016 0.000 2.178 121 D HA -0.153 4.486 4.640 -0.003 0.000 0.201 121 D C 1.620 177.931 176.300 0.018 0.000 0.980 121 D CA 0.656 54.643 54.000 -0.021 0.000 0.842 121 D CB -0.324 40.436 40.800 -0.066 0.000 0.948 121 D HN 0.214 nan 8.370 nan 0.000 0.472 122 F N 2.076 121.981 119.950 -0.076 0.000 2.146 122 F HA -0.115 4.410 4.527 -0.002 0.000 0.298 122 F C 2.089 177.909 175.800 0.034 0.000 1.096 122 F CA 1.124 59.106 58.000 -0.029 0.000 1.275 122 F CB 0.074 39.042 39.000 -0.054 0.000 1.008 122 F HN -0.194 nan 8.300 nan 0.000 0.480 123 E N 0.746 120.855 120.200 -0.151 0.000 2.085 123 E HA -0.238 4.111 4.350 -0.003 0.000 0.194 123 E C 2.159 178.676 176.600 -0.138 0.000 0.994 123 E CA 1.486 57.778 56.400 -0.179 0.000 0.801 123 E CB -0.356 29.316 29.700 -0.046 0.000 0.743 123 E HN 0.482 nan 8.360 nan 0.000 0.453 124 K N 0.664 121.004 120.400 -0.100 0.000 2.009 124 K HA -0.114 4.204 4.320 -0.003 0.000 0.210 124 K C 2.199 178.727 176.600 -0.121 0.000 1.049 124 K CA 1.412 57.651 56.287 -0.080 0.000 0.929 124 K CB -0.228 32.240 32.500 -0.053 0.000 0.714 124 K HN 0.064 nan 8.250 nan 0.000 0.440 125 A N 0.692 123.420 122.820 -0.152 0.000 1.933 125 A HA -0.178 4.140 4.320 -0.003 0.000 0.218 125 A C 2.010 179.457 177.584 -0.230 0.000 1.175 125 A CA 1.221 53.160 52.037 -0.163 0.000 0.628 125 A CB -0.652 18.301 19.000 -0.079 0.000 0.814 125 A HN 0.373 nan 8.150 nan 0.000 0.444 126 F N 1.425 121.057 119.950 -0.530 0.000 2.084 126 F HA -0.159 4.367 4.527 -0.002 0.000 0.296 126 F C 1.928 177.623 175.800 -0.176 0.000 1.111 126 F CA 1.988 59.737 58.000 -0.419 0.000 1.224 126 F CB -0.287 38.270 39.000 -0.739 0.000 0.991 126 F HN 0.194 nan 8.300 nan 0.000 0.471 127 N N 0.684 119.329 118.700 -0.091 0.000 2.348 127 N HA -0.131 4.607 4.740 -0.003 0.000 0.185 127 N C 1.614 177.011 175.510 -0.189 0.000 1.019 127 N CA 1.169 54.149 53.050 -0.117 0.000 0.880 127 N CB -0.548 37.929 38.487 -0.017 0.000 0.965 127 N HN 0.444 nan 8.380 nan 0.000 0.437 128 A N -0.092 122.595 122.820 -0.222 0.000 2.218 128 A HA 0.147 4.466 4.320 -0.003 0.000 0.209 128 A C 2.039 179.416 177.584 -0.346 0.000 1.168 128 A CA 0.300 52.202 52.037 -0.225 0.000 0.804 128 A CB 0.227 19.118 19.000 -0.182 0.000 0.834 128 A HN 0.161 nan 8.150 nan 0.000 0.482 129 R N -2.508 117.678 120.500 -0.523 0.000 2.197 129 R HA 0.292 4.630 4.340 -0.003 0.000 0.188 129 R C 1.321 177.213 176.300 -0.680 0.000 1.015 129 R CA 0.563 56.093 56.100 -0.949 0.000 1.132 129 R CB -0.201 29.009 30.300 -1.817 0.000 1.134 129 R HN 0.402 nan 8.270 nan 0.000 0.560 130 F N 1.741 121.339 119.950 -0.587 0.000 2.293 130 F HA 0.120 4.646 4.527 -0.002 0.000 0.297 130 F C -1.365 174.306 175.800 -0.214 0.000 1.089 130 F CA -0.402 57.387 58.000 -0.353 0.000 1.377 130 F CB -0.943 37.674 39.000 -0.639 0.000 1.051 130 F HN -0.191 nan 8.300 nan 0.000 0.511 131 P HA 0.094 nan 4.420 nan 0.000 0.263 131 P C 0.725 178.009 177.300 -0.026 0.000 1.195 131 P CA 1.333 64.410 63.100 -0.038 0.000 0.762 131 P CB 0.276 31.942 31.700 -0.057 0.000 0.799 132 G N 2.975 111.771 108.800 -0.007 0.000 2.180 132 G HA2 -0.401 3.557 3.960 -0.003 0.000 0.263 132 G HA3 -0.401 3.557 3.960 -0.003 0.000 0.263 132 G C 1.185 176.076 174.900 -0.016 0.000 0.989 132 G CA 0.418 45.509 45.100 -0.014 0.000 0.692 132 G HN 0.705 nan 8.290 nan 0.000 0.526 133 C N -1.401 117.897 119.300 -0.003 0.000 2.435 133 C HA 0.362 4.821 4.460 -0.003 0.000 0.279 133 C C 2.372 177.330 174.990 -0.053 0.000 1.321 133 C CA 1.472 60.477 59.018 -0.021 0.000 1.752 133 C CB -0.585 27.152 27.740 -0.006 0.000 1.959 133 C HN 0.490 nan 8.230 nan 0.000 0.500 134 M N 0.861 120.445 119.600 -0.027 0.000 2.551 134 M HA 0.191 4.669 4.480 -0.003 0.000 0.252 134 M C 0.425 176.701 176.300 -0.039 0.000 1.219 134 M CA -0.006 55.273 55.300 -0.036 0.000 0.978 134 M CB -0.237 32.356 32.600 -0.012 0.000 1.533 134 M HN 0.289 nan 8.290 nan 0.000 0.474 135 K N 0.648 121.024 120.400 -0.040 0.000 2.350 135 K HA 0.298 4.617 4.320 -0.003 0.000 0.279 135 K C 1.127 177.702 176.600 -0.041 0.000 1.027 135 K CA 1.180 57.441 56.287 -0.044 0.000 0.969 135 K CB 0.480 32.957 32.500 -0.039 0.000 0.954 135 K HN 0.351 nan 8.250 nan 0.000 0.474 136 G N 2.893 111.666 108.800 -0.045 0.000 2.179 136 G HA2 -0.283 3.676 3.960 -0.003 0.000 0.260 136 G HA3 -0.283 3.676 3.960 -0.003 0.000 0.260 136 G C -0.103 174.792 174.900 -0.008 0.000 0.977 136 G CA 0.415 45.499 45.100 -0.026 0.000 0.641 136 G HN 0.610 nan 8.290 nan 0.000 0.533 137 R N -0.405 120.084 120.500 -0.019 0.000 2.892 137 R HA 0.657 4.996 4.340 -0.003 0.000 0.265 137 R C -0.635 175.660 176.300 -0.010 0.000 1.025 137 R CA -0.552 55.547 56.100 -0.001 0.000 0.982 137 R CB 1.171 31.465 30.300 -0.011 0.000 1.185 137 R HN 0.096 nan 8.270 nan 0.000 0.484 138 T N 2.019 116.558 114.554 -0.025 0.000 2.845 138 T HA 0.261 4.609 4.350 -0.003 0.000 0.288 138 T C -0.153 174.418 174.700 -0.214 0.000 0.980 138 T CA -0.333 61.683 62.100 -0.141 0.000 1.071 138 T CB 0.759 69.436 68.868 -0.320 0.000 0.941 138 T HN 0.333 nan 8.240 nan 0.000 0.487 139 M N 4.581 124.070 119.600 -0.185 0.000 2.080 139 M HA 0.401 4.879 4.480 -0.003 0.000 0.350 139 M C -1.608 174.605 176.300 -0.145 0.000 1.173 139 M CA -0.634 54.611 55.300 -0.092 0.000 1.052 139 M CB 0.295 32.878 32.600 -0.029 0.000 1.577 139 M HN 0.581 nan 8.290 nan 0.000 0.455 140 Y N 3.553 123.888 120.300 0.059 0.000 2.310 140 Y HA 0.433 4.981 4.550 -0.003 0.000 0.326 140 Y C -0.083 175.873 175.900 0.094 0.000 1.151 140 Y CA -0.591 57.552 58.100 0.070 0.000 1.195 140 Y CB 1.315 39.764 38.460 -0.020 0.000 1.210 140 Y HN 0.369 nan 8.280 nan 0.000 0.483 141 V N 5.790 125.866 119.914 0.270 0.000 2.328 141 V HA 0.305 4.424 4.120 -0.003 0.000 0.278 141 V C -0.205 176.013 176.094 0.207 0.000 1.021 141 V CA -0.709 61.709 62.300 0.197 0.000 0.838 141 V CB 0.533 32.434 31.823 0.129 0.000 0.999 141 V HN 0.577 nan 8.190 nan 0.000 0.447 142 I N 7.839 128.538 120.570 0.215 0.000 2.330 142 I HA 0.361 4.530 4.170 -0.003 0.000 0.286 142 I C -2.506 173.786 176.117 0.293 0.000 1.025 142 I CA -1.913 59.517 61.300 0.218 0.000 1.197 142 I CB 2.019 40.118 38.000 0.165 0.000 1.358 142 I HN 0.412 nan 8.210 nan 0.000 0.467 143 P HA 0.323 nan 4.420 nan 0.000 0.293 143 P C -1.084 176.344 177.300 0.213 0.000 1.313 143 P CA -0.202 62.965 63.100 0.112 0.000 0.787 143 P CB 0.394 32.109 31.700 0.026 0.000 0.910 144 F N -0.295 119.680 119.950 0.043 0.000 2.601 144 F HA 0.743 5.269 4.527 -0.002 0.000 0.309 144 F C -0.830 175.016 175.800 0.077 0.000 1.089 144 F CA -1.247 56.782 58.000 0.048 0.000 0.940 144 F CB 1.448 40.477 39.000 0.049 0.000 1.273 144 F HN 0.156 nan 8.300 nan 0.000 0.450 145 S N 3.921 119.703 115.700 0.137 0.000 2.449 145 S HA 0.626 5.095 4.470 -0.003 0.000 0.310 145 S C -0.704 173.961 174.600 0.109 0.000 1.096 145 S CA -0.765 57.469 58.200 0.057 0.000 1.095 145 S CB 0.607 63.816 63.200 0.016 0.000 1.007 145 S HN 0.609 nan 8.310 nan 0.000 0.474 146 M N 4.352 124.006 119.600 0.091 0.000 2.077 146 M HA 0.483 4.962 4.480 -0.003 0.000 0.348 146 M C 0.780 176.990 176.300 -0.151 0.000 1.252 146 M CA 0.214 55.472 55.300 -0.069 0.000 1.096 146 M CB -0.322 32.165 32.600 -0.189 0.000 1.568 146 M HN 1.060 nan 8.290 nan 0.000 0.456 147 G N 5.858 114.508 108.800 -0.250 0.000 2.619 147 G HA2 -0.043 3.915 3.960 -0.003 0.000 0.686 147 G HA3 -0.043 3.915 3.960 -0.003 0.000 0.686 147 G C -3.242 171.558 174.900 -0.166 0.000 1.256 147 G CA -1.438 43.518 45.100 -0.240 0.000 0.826 147 G HN 0.416 nan 8.290 nan 0.000 0.619 148 P HA 0.272 nan 4.420 nan 0.000 0.261 148 P C 0.515 177.741 177.300 -0.125 0.000 1.173 148 P CA -0.226 62.750 63.100 -0.207 0.000 0.760 148 P CB 0.557 32.117 31.700 -0.234 0.000 0.783 149 L N 3.542 124.700 121.223 -0.108 0.000 2.559 149 L HA 0.250 4.588 4.340 -0.003 0.000 0.274 149 L C 1.454 178.289 176.870 -0.058 0.000 1.205 149 L CA 1.926 56.727 54.840 -0.065 0.000 0.907 149 L CB -0.894 41.134 42.059 -0.052 0.000 1.153 149 L HN 0.799 nan 8.230 nan 0.000 0.490 150 G N 2.417 111.193 108.800 -0.040 0.000 2.205 150 G HA2 -0.302 3.656 3.960 -0.003 0.000 0.261 150 G HA3 -0.302 3.656 3.960 -0.003 0.000 0.261 150 G C 0.513 175.390 174.900 -0.038 0.000 0.980 150 G CA 0.353 45.432 45.100 -0.035 0.000 0.632 150 G HN 1.039 nan 8.290 nan 0.000 0.533 151 S N 1.196 116.867 115.700 -0.048 0.000 2.549 151 S HA 0.488 4.956 4.470 -0.003 0.000 0.283 151 S C -0.315 174.264 174.600 -0.035 0.000 1.320 151 S CA -0.235 57.935 58.200 -0.050 0.000 1.058 151 S CB 1.231 64.391 63.200 -0.066 0.000 0.882 151 S HN 0.097 nan 8.310 nan 0.000 0.498 152 P HA 0.084 nan 4.420 nan 0.000 0.233 152 P C 0.731 178.004 177.300 -0.045 0.000 1.167 152 P CA 0.640 63.719 63.100 -0.034 0.000 0.770 152 P CB 0.086 31.765 31.700 -0.036 0.000 0.837 153 L N -2.073 119.117 121.223 -0.055 0.000 2.567 153 L HA 0.130 4.469 4.340 -0.003 0.000 0.225 153 L C 0.749 177.607 176.870 -0.020 0.000 1.119 153 L CA 0.284 55.072 54.840 -0.087 0.000 0.871 153 L CB -0.212 41.783 42.059 -0.107 0.000 1.036 153 L HN -0.102 nan 8.230 nan 0.000 0.459 154 S N -0.010 115.709 115.700 0.030 0.000 2.652 154 S HA 0.385 4.853 4.470 -0.003 0.000 0.270 154 S C 0.045 174.741 174.600 0.161 0.000 1.243 154 S CA -0.534 57.742 58.200 0.127 0.000 0.999 154 S CB 1.369 64.596 63.200 0.046 0.000 0.973 154 S HN 0.002 nan 8.310 nan 0.000 0.544 155 K N 1.567 122.146 120.400 0.298 0.000 2.270 155 K HA 0.547 4.865 4.320 -0.003 0.000 0.255 155 K C -0.716 176.042 176.600 0.264 0.000 0.936 155 K CA -0.343 56.136 56.287 0.321 0.000 0.809 155 K CB 1.491 34.329 32.500 0.564 0.000 1.131 155 K HN 0.515 nan 8.250 nan 0.000 0.427 156 I N 0.947 121.598 120.570 0.135 0.000 2.460 156 I HA 0.503 4.671 4.170 -0.003 0.000 0.298 156 I C 0.583 176.617 176.117 -0.138 0.000 0.989 156 I CA -0.640 60.637 61.300 -0.037 0.000 1.173 156 I CB 2.125 40.099 38.000 -0.043 0.000 1.338 156 I HN 0.611 nan 8.210 nan 0.000 0.456 157 G N 5.958 114.379 108.800 -0.632 0.000 2.605 157 G HA2 0.702 4.660 3.960 -0.003 0.000 0.296 157 G HA3 0.702 4.660 3.960 -0.003 0.000 0.296 157 G C -1.256 173.279 174.900 -0.609 0.000 1.304 157 G CA -0.359 44.328 45.100 -0.688 0.000 0.941 157 G HN 0.309 nan 8.290 nan 0.000 0.475 158 I N 1.015 121.560 120.570 -0.041 0.000 2.439 158 I HA 0.328 4.496 4.170 -0.003 0.000 0.283 158 I C -0.532 175.871 176.117 0.477 0.000 1.023 158 I CA -0.559 60.825 61.300 0.141 0.000 1.100 158 I CB 1.593 39.523 38.000 -0.117 0.000 1.238 158 I HN 0.655 nan 8.210 nan 0.000 0.445 159 E N 7.527 128.060 120.200 0.555 0.000 2.145 159 E HA 0.529 4.877 4.350 -0.003 0.000 0.270 159 E C -1.408 175.390 176.600 0.331 0.000 0.906 159 E CA -0.603 56.067 56.400 0.449 0.000 0.761 159 E CB 1.390 31.272 29.700 0.303 0.000 1.116 159 E HN 0.495 nan 8.360 nan 0.000 0.408 160 L N 3.924 125.341 121.223 0.324 0.000 2.275 160 L HA 0.468 4.807 4.340 -0.003 0.000 0.288 160 L C 0.250 177.268 176.870 0.246 0.000 1.046 160 L CA -0.429 54.541 54.840 0.216 0.000 0.805 160 L CB 1.605 43.712 42.059 0.081 0.000 1.193 160 L HN 0.522 nan 8.230 nan 0.000 0.426 161 T N -0.423 114.276 114.554 0.242 0.000 2.894 161 T HA 0.298 4.647 4.350 -0.003 0.000 0.309 161 T C -0.622 174.243 174.700 0.275 0.000 1.208 161 T CA -0.652 61.627 62.100 0.298 0.000 1.016 161 T CB 1.579 70.594 68.868 0.244 0.000 1.192 161 T HN 0.720 nan 8.240 nan 0.000 0.491 162 D N 1.174 121.713 120.400 0.231 0.000 2.463 162 D HA 0.256 4.894 4.640 -0.003 0.000 0.224 162 D C 0.119 176.526 176.300 0.178 0.000 1.174 162 D CA -0.278 53.827 54.000 0.174 0.000 0.829 162 D CB 0.235 41.061 40.800 0.043 0.000 0.993 162 D HN 0.250 nan 8.370 nan 0.000 0.497 163 S N 0.669 116.475 115.700 0.178 0.000 2.640 163 S HA 0.432 4.901 4.470 -0.003 0.000 0.320 163 S C -2.098 172.431 174.600 -0.118 0.000 1.097 163 S CA -1.459 56.763 58.200 0.036 0.000 1.092 163 S CB 1.699 64.913 63.200 0.023 0.000 0.988 163 S HN -0.247 nan 8.310 nan 0.000 0.470 164 P HA -0.072 nan 4.420 nan 0.000 0.220 164 P C 0.944 178.084 177.300 -0.266 0.000 1.148 164 P CA 0.697 63.522 63.100 -0.458 0.000 0.803 164 P CB -0.102 31.421 31.700 -0.295 0.000 0.782 165 Y N 0.262 120.420 120.300 -0.237 0.000 2.200 165 Y HA -0.163 4.385 4.550 -0.002 0.000 0.290 165 Y C 2.041 177.837 175.900 -0.174 0.000 1.137 165 Y CA 1.243 59.248 58.100 -0.158 0.000 1.163 165 Y CB -0.901 37.498 38.460 -0.101 0.000 0.988 165 Y HN -0.299 nan 8.280 nan 0.000 0.518 166 V N -0.596 119.232 119.914 -0.144 0.000 2.343 166 V HA -0.304 3.814 4.120 -0.003 0.000 0.247 166 V C 2.342 178.240 176.094 -0.327 0.000 1.051 166 V CA 1.704 63.843 62.300 -0.269 0.000 1.036 166 V CB -0.713 30.958 31.823 -0.254 0.000 0.654 166 V HN 0.386 nan 8.190 nan 0.000 0.451 167 V N 0.302 120.022 119.914 -0.323 0.000 2.233 167 V HA -0.290 3.829 4.120 -0.003 0.000 0.247 167 V C 2.719 178.632 176.094 -0.302 0.000 1.050 167 V CA 2.236 64.340 62.300 -0.326 0.000 1.010 167 V CB -1.206 30.324 31.823 -0.489 0.000 0.637 167 V HN 0.569 nan 8.190 nan 0.000 0.444 168 A N -0.571 122.050 122.820 -0.331 0.000 1.940 168 A HA -0.215 4.103 4.320 -0.003 0.000 0.219 168 A C 2.452 179.865 177.584 -0.284 0.000 1.176 168 A CA 2.329 54.193 52.037 -0.288 0.000 0.631 168 A CB -0.640 18.182 19.000 -0.296 0.000 0.814 168 A HN 0.526 nan 8.150 nan 0.000 0.446 169 S N -0.631 114.838 115.700 -0.385 0.000 2.387 169 S HA -0.072 4.397 4.470 -0.003 0.000 0.226 169 S C 1.977 176.406 174.600 -0.285 0.000 1.026 169 S CA 1.360 59.343 58.200 -0.361 0.000 0.972 169 S CB -0.258 62.629 63.200 -0.523 0.000 0.814 169 S HN 0.473 nan 8.310 nan 0.000 0.477 170 M N 1.163 120.586 119.600 -0.295 0.000 2.213 170 M HA 0.001 4.479 4.480 -0.003 0.000 0.263 170 M C 2.154 178.346 176.300 -0.179 0.000 1.062 170 M CA 1.136 56.275 55.300 -0.268 0.000 1.105 170 M CB -1.038 31.390 32.600 -0.286 0.000 1.385 170 M HN 0.267 nan 8.290 nan 0.000 0.417 171 R N 0.365 120.774 120.500 -0.152 0.000 2.127 171 R HA -0.111 4.227 4.340 -0.003 0.000 0.238 171 R C 1.910 178.161 176.300 -0.081 0.000 1.134 171 R CA 1.243 57.286 56.100 -0.095 0.000 0.975 171 R CB -0.072 30.171 30.300 -0.094 0.000 0.865 171 R HN 0.334 nan 8.270 nan 0.000 0.447 172 I N -0.288 120.218 120.570 -0.107 0.000 2.429 172 I HA -0.162 4.006 4.170 -0.003 0.000 0.247 172 I C 1.849 177.905 176.117 -0.101 0.000 1.099 172 I CA 0.545 61.791 61.300 -0.089 0.000 1.422 172 I CB -0.057 37.893 38.000 -0.084 0.000 1.112 172 I HN 0.137 nan 8.210 nan 0.000 0.430 173 M N 0.548 120.068 119.600 -0.133 0.000 2.557 173 M HA 0.043 4.522 4.480 -0.003 0.000 0.259 173 M C 0.914 177.136 176.300 -0.130 0.000 1.086 173 M CA 0.824 56.035 55.300 -0.149 0.000 1.096 173 M CB -1.389 31.087 32.600 -0.208 0.000 1.424 173 M HN 0.384 nan 8.290 nan 0.000 0.488 174 T N -2.131 112.366 114.554 -0.096 0.000 2.778 174 T HA 0.645 4.993 4.350 -0.003 0.000 0.293 174 T C -0.583 174.124 174.700 0.011 0.000 1.144 174 T CA -1.059 61.024 62.100 -0.030 0.000 1.010 174 T CB 2.054 70.932 68.868 0.016 0.000 1.325 174 T HN -0.018 nan 8.240 nan 0.000 0.515 175 R N 0.938 121.466 120.500 0.046 0.000 2.234 175 R HA 0.660 4.998 4.340 -0.003 0.000 0.324 175 R C -0.183 176.170 176.300 0.088 0.000 1.054 175 R CA -0.408 55.716 56.100 0.041 0.000 0.912 175 R CB 0.685 30.992 30.300 0.012 0.000 1.030 175 R HN 0.636 nan 8.270 nan 0.000 0.455 176 M N 1.920 121.558 119.600 0.065 0.000 2.446 176 M HA 0.622 5.100 4.480 -0.003 0.000 0.294 176 M C -0.332 176.004 176.300 0.060 0.000 1.158 176 M CA -0.027 55.326 55.300 0.089 0.000 0.899 176 M CB 2.083 34.720 32.600 0.061 0.000 1.687 176 M HN 0.704 nan 8.290 nan 0.000 0.455 177 G N 2.210 111.052 108.800 0.071 0.000 2.318 177 G HA2 -0.137 3.821 3.960 -0.003 0.000 0.367 177 G HA3 -0.137 3.821 3.960 -0.003 0.000 0.367 177 G C 0.038 174.959 174.900 0.035 0.000 1.260 177 G CA -0.042 45.090 45.100 0.053 0.000 1.055 177 G HN 0.624 nan 8.290 nan 0.000 0.484 178 T N 1.996 116.565 114.554 0.025 0.000 2.720 178 T HA -0.041 4.308 4.350 -0.003 0.000 0.268 178 T C -0.184 174.519 174.700 0.004 0.000 1.037 178 T CA 2.632 64.739 62.100 0.011 0.000 1.144 178 T CB -0.928 67.944 68.868 0.008 0.000 0.864 178 T HN 0.349 nan 8.240 nan 0.000 0.444 179 P HA -0.000 nan 4.420 nan 0.000 0.218 179 P C 1.573 178.870 177.300 -0.005 0.000 1.148 179 P CA 0.475 63.574 63.100 -0.001 0.000 0.822 179 P CB -0.181 31.519 31.700 -0.000 0.000 0.784 180 V N -0.540 119.374 119.914 0.000 0.000 2.358 180 V HA -0.210 3.909 4.120 -0.003 0.000 0.246 180 V C 2.415 178.493 176.094 -0.027 0.000 1.047 180 V CA 1.562 63.856 62.300 -0.009 0.000 1.035 180 V CB -1.116 30.711 31.823 0.007 0.000 0.658 180 V HN 0.081 nan 8.190 nan 0.000 0.452 181 L N -0.492 120.715 121.223 -0.027 0.000 2.083 181 L HA -0.216 4.123 4.340 -0.003 0.000 0.209 181 L C 2.540 179.394 176.870 -0.028 0.000 1.083 181 L CA 1.616 56.431 54.840 -0.042 0.000 0.752 181 L CB -0.487 41.550 42.059 -0.036 0.000 0.899 181 L HN 0.389 nan 8.230 nan 0.000 0.433 182 E N -0.051 120.139 120.200 -0.017 0.000 2.058 182 E HA -0.252 4.097 4.350 -0.003 0.000 0.194 182 E C 2.247 178.839 176.600 -0.012 0.000 0.997 182 E CA 1.451 57.843 56.400 -0.012 0.000 0.801 182 E CB -0.115 29.579 29.700 -0.009 0.000 0.746 182 E HN 0.491 nan 8.360 nan 0.000 0.450 183 A N 0.492 123.303 122.820 -0.014 0.000 1.930 183 A HA -0.145 4.174 4.320 -0.003 0.000 0.217 183 A C 2.091 179.670 177.584 -0.009 0.000 1.175 183 A CA 0.975 53.004 52.037 -0.013 0.000 0.627 183 A CB -0.482 18.509 19.000 -0.016 0.000 0.815 183 A HN 0.286 nan 8.150 nan 0.000 0.443 184 L N -0.634 120.580 121.223 -0.014 0.000 2.046 184 L HA 0.131 4.469 4.340 -0.003 0.000 0.208 184 L C 1.754 178.632 176.870 0.012 0.000 1.077 184 L CA 1.882 56.720 54.840 -0.003 0.000 0.747 184 L CB -1.143 40.896 42.059 -0.033 0.000 0.896 184 L HN 0.709 nan 8.230 nan 0.000 0.432 185 G N -0.639 108.163 108.800 0.003 0.000 2.634 185 G HA2 -0.405 3.553 3.960 -0.003 0.000 0.309 185 G HA3 -0.405 3.553 3.960 -0.003 0.000 0.309 185 G C 0.538 175.457 174.900 0.030 0.000 1.265 185 G CA 0.481 45.588 45.100 0.011 0.000 0.998 185 G HN 0.409 nan 8.290 nan 0.000 0.551 186 D N 2.372 122.794 120.400 0.036 0.000 2.395 186 D HA 0.338 4.977 4.640 -0.003 0.000 0.226 186 D C 1.372 177.710 176.300 0.064 0.000 1.146 186 D CA 0.818 54.851 54.000 0.055 0.000 0.830 186 D CB -0.270 40.552 40.800 0.037 0.000 0.958 186 D HN 0.647 nan 8.370 nan 0.000 0.501 187 G N 0.387 109.228 108.800 0.067 0.000 2.634 187 G HA2 0.075 4.033 3.960 -0.003 0.000 0.255 187 G HA3 0.075 4.033 3.960 -0.003 0.000 0.255 187 G C 0.452 175.414 174.900 0.105 0.000 1.205 187 G CA -0.437 44.700 45.100 0.061 0.000 0.884 187 G HN -0.019 nan 8.290 nan 0.000 0.549 188 E N -0.797 119.422 120.200 0.031 0.000 2.392 188 E HA 0.370 4.718 4.350 -0.003 0.000 0.259 188 E C -0.667 175.957 176.600 0.041 0.000 1.108 188 E CA 0.448 56.813 56.400 -0.058 0.000 0.916 188 E CB 1.113 30.748 29.700 -0.108 0.000 0.989 188 E HN 0.384 nan 8.360 nan 0.000 0.432 189 F N -2.656 117.208 119.950 -0.143 0.000 2.662 189 F HA 0.454 4.979 4.527 -0.003 0.000 0.312 189 F C -0.993 174.647 175.800 -0.267 0.000 1.113 189 F CA -1.412 56.474 58.000 -0.191 0.000 0.951 189 F CB 0.473 39.360 39.000 -0.188 0.000 1.344 189 F HN 0.021 nan 8.300 nan 0.000 0.462 190 V N 2.103 121.938 119.914 -0.132 0.000 2.461 190 V HA 0.258 4.376 4.120 -0.003 0.000 0.275 190 V C -0.103 175.904 176.094 -0.144 0.000 1.047 190 V CA -0.831 61.291 62.300 -0.297 0.000 0.955 190 V CB 1.047 32.501 31.823 -0.615 0.000 0.988 190 V HN 0.658 nan 8.190 nan 0.000 0.471 191 K N 3.868 124.091 120.400 -0.295 0.000 2.276 191 K HA 0.461 4.779 4.320 -0.003 0.000 0.285 191 K C -0.924 175.669 176.600 -0.012 0.000 1.062 191 K CA -0.264 55.781 56.287 -0.403 0.000 0.918 191 K CB 0.685 32.739 32.500 -0.743 0.000 1.055 191 K HN 0.670 nan 8.250 nan 0.000 0.477 192 C N 4.363 123.818 119.300 0.259 0.000 2.322 192 C HA 0.391 4.850 4.460 -0.003 0.000 0.324 192 C C -0.777 174.478 174.990 0.442 0.000 1.249 192 C CA -1.054 58.163 59.018 0.332 0.000 1.453 192 C CB -0.028 27.932 27.740 0.367 0.000 2.145 192 C HN 0.672 nan 8.230 nan 0.000 0.466 193 L N 5.184 126.626 121.223 0.365 0.000 2.325 193 L HA 0.606 4.944 4.340 -0.003 0.000 0.281 193 L C -0.417 176.693 176.870 0.400 0.000 1.004 193 L CA 0.312 55.358 54.840 0.343 0.000 0.823 193 L CB 0.382 42.575 42.059 0.223 0.000 1.236 193 L HN 0.826 nan 8.230 nan 0.000 0.415 194 H N 3.501 122.748 119.070 0.294 0.000 2.690 194 H HA 0.719 5.273 4.556 -0.003 0.000 0.368 194 H C -1.837 173.624 175.328 0.221 0.000 1.150 194 H CA -0.394 55.816 56.048 0.271 0.000 1.174 194 H CB 2.153 32.008 29.762 0.154 0.000 1.684 194 H HN 0.639 nan 8.280 nan 0.000 0.538 195 S N 3.377 118.613 115.700 -0.772 0.000 2.566 195 S HA 0.164 4.632 4.470 -0.003 0.000 0.273 195 S C 0.950 174.966 174.600 -0.974 0.000 1.157 195 S CA -0.171 57.619 58.200 -0.683 0.000 0.938 195 S CB 0.815 63.797 63.200 -0.364 0.000 1.087 195 S HN 0.574 nan 8.310 nan 0.000 0.474 196 V N 2.418 121.950 119.914 -0.636 0.000 2.867 196 V HA 0.275 4.393 4.120 -0.003 0.000 0.260 196 V C 1.617 177.335 176.094 -0.625 0.000 1.099 196 V CA 1.386 63.391 62.300 -0.492 0.000 1.122 196 V CB -1.594 30.043 31.823 -0.310 0.000 0.708 196 V HN 2.037 nan 8.190 nan 0.000 0.490 197 G N -0.821 107.479 108.800 -0.834 0.000 2.160 197 G HA2 -0.248 3.711 3.960 -0.003 0.000 0.244 197 G HA3 -0.248 3.711 3.960 -0.003 0.000 0.244 197 G C -0.009 174.677 174.900 -0.356 0.000 1.022 197 G CA 0.013 44.553 45.100 -0.932 0.000 0.741 197 G HN 0.866 nan 8.290 nan 0.000 0.508 198 C N 2.095 121.242 119.300 -0.256 0.000 3.188 198 C HA 0.441 4.899 4.460 -0.003 0.000 0.230 198 C C -1.491 173.438 174.990 -0.101 0.000 1.239 198 C CA -1.527 57.409 59.018 -0.136 0.000 1.494 198 C CB 0.800 28.471 27.740 -0.116 0.000 1.798 198 C HN 0.484 nan 8.230 nan 0.000 0.458 199 P HA 0.136 nan 4.420 nan 0.000 0.269 199 P C -0.598 176.678 177.300 -0.041 0.000 1.209 199 P CA 0.438 63.504 63.100 -0.057 0.000 0.776 199 P CB 0.982 32.656 31.700 -0.043 0.000 0.876 200 L N 4.292 125.496 121.223 -0.033 0.000 2.350 200 L HA 0.351 4.689 4.340 -0.003 0.000 0.275 200 L C -1.887 174.971 176.870 -0.020 0.000 1.099 200 L CA -2.082 52.745 54.840 -0.022 0.000 0.808 200 L CB 0.444 42.495 42.059 -0.015 0.000 1.149 200 L HN 0.217 nan 8.230 nan 0.000 0.442 201 P HA 0.200 nan 4.420 nan 0.000 0.279 201 P C -0.562 176.731 177.300 -0.012 0.000 1.239 201 P CA -0.545 62.549 63.100 -0.010 0.000 0.789 201 P CB 0.571 32.267 31.700 -0.007 0.000 0.933 202 L N 3.124 124.342 121.223 -0.010 0.000 2.615 202 L HA -0.053 4.285 4.340 -0.003 0.000 0.271 202 L C 1.656 178.523 176.870 -0.006 0.000 1.183 202 L CA 0.161 54.995 54.840 -0.010 0.000 0.933 202 L CB 0.042 42.099 42.059 -0.005 0.000 1.199 202 L HN 0.403 nan 8.230 nan 0.000 0.487 203 Q N 2.658 122.453 119.800 -0.008 0.000 2.331 203 Q HA 0.098 4.437 4.340 -0.003 0.000 0.203 203 Q C 0.063 176.064 176.000 0.001 0.000 0.944 203 Q CA 0.981 56.782 55.803 -0.004 0.000 0.892 203 Q CB 0.440 29.175 28.738 -0.005 0.000 0.983 203 Q HN 0.591 nan 8.270 nan 0.000 0.482 204 K N 0.416 120.817 120.400 0.003 0.000 2.400 204 K HA 0.465 4.784 4.320 -0.003 0.000 0.246 204 K C -2.586 174.021 176.600 0.012 0.000 0.995 204 K CA -1.965 54.328 56.287 0.009 0.000 0.840 204 K CB 1.313 33.821 32.500 0.013 0.000 1.293 204 K HN -0.201 nan 8.250 nan 0.000 0.445 205 P HA 0.004 nan 4.420 nan 0.000 0.266 205 P C -1.172 176.146 177.300 0.029 0.000 1.195 205 P CA -0.413 62.699 63.100 0.021 0.000 0.768 205 P CB 0.339 32.052 31.700 0.021 0.000 0.838 206 L N 4.926 126.169 121.223 0.033 0.000 2.275 206 L HA 0.333 4.672 4.340 -0.003 0.000 0.288 206 L C -0.808 176.099 176.870 0.062 0.000 1.046 206 L CA -0.400 54.469 54.840 0.048 0.000 0.805 206 L CB 1.107 43.190 42.059 0.039 0.000 1.193 206 L HN 0.079 nan 8.230 nan 0.000 0.426 207 V N 5.194 125.161 119.914 0.088 0.000 2.472 207 V HA 0.378 4.496 4.120 -0.003 0.000 0.290 207 V C 0.687 176.851 176.094 0.116 0.000 1.037 207 V CA -0.905 61.444 62.300 0.081 0.000 0.908 207 V CB 1.227 33.091 31.823 0.068 0.000 0.985 207 V HN 0.869 nan 8.190 nan 0.000 0.454 208 N N 3.733 122.481 118.700 0.079 0.000 2.686 208 N HA -0.251 4.487 4.740 -0.003 0.000 0.249 208 N C 0.753 176.357 175.510 0.157 0.000 1.082 208 N CA 1.177 54.285 53.050 0.097 0.000 0.725 208 N CB -0.916 37.614 38.487 0.072 0.000 1.009 208 N HN 0.944 nan 8.380 nan 0.000 0.545 209 N N -2.297 116.485 118.700 0.135 0.000 2.708 209 N HA -0.228 4.510 4.740 -0.003 0.000 0.251 209 N C -0.811 174.806 175.510 0.178 0.000 1.123 209 N CA 1.082 54.209 53.050 0.130 0.000 0.739 209 N CB -0.900 37.655 38.487 0.115 0.000 1.113 209 N HN 0.564 nan 8.380 nan 0.000 0.561 210 W N 2.752 124.049 121.300 -0.005 0.000 2.299 210 W HA 0.359 5.017 4.660 -0.003 0.000 0.319 210 W C -2.693 173.813 176.519 -0.021 0.000 1.008 210 W CA -1.537 55.794 57.345 -0.023 0.000 1.384 210 W CB 0.929 30.370 29.460 -0.032 0.000 1.220 210 W HN -0.074 nan 8.180 nan 0.000 0.402 211 P HA 0.180 nan 4.420 nan 0.000 0.276 211 P C -0.407 176.754 177.300 -0.231 0.000 1.235 211 P CA 0.336 63.325 63.100 -0.184 0.000 0.772 211 P CB 0.846 32.420 31.700 -0.210 0.000 0.871 212 C N 0.904 120.171 119.300 -0.056 0.000 3.307 212 C HA 0.628 5.087 4.460 -0.003 0.000 0.333 212 C C -0.847 174.135 174.990 -0.013 0.000 1.291 212 C CA -0.693 58.319 59.018 -0.010 0.000 1.273 212 C CB 1.530 29.390 27.740 0.201 0.000 1.580 212 C HN 0.531 nan 8.230 nan 0.000 0.481 213 N N 1.212 119.897 118.700 -0.025 0.000 2.750 213 N HA 0.392 5.130 4.740 -0.003 0.000 0.253 213 N C -2.143 173.412 175.510 0.076 0.000 1.408 213 N CA -1.404 51.654 53.050 0.015 0.000 0.780 213 N CB 1.346 39.825 38.487 -0.013 0.000 1.191 213 N HN 0.479 nan 8.380 nan 0.000 0.511 214 P HA -0.102 nan 4.420 nan 0.000 0.216 214 P C 0.857 178.211 177.300 0.090 0.000 1.153 214 P CA 1.275 64.430 63.100 0.092 0.000 0.858 214 P CB 0.644 32.392 31.700 0.080 0.000 0.789 215 E N -0.593 119.654 120.200 0.077 0.000 2.070 215 E HA -0.140 4.209 4.350 -0.003 0.000 0.197 215 E C 1.417 178.063 176.600 0.076 0.000 1.004 215 E CA 1.111 57.550 56.400 0.066 0.000 0.805 215 E CB -0.784 28.946 29.700 0.050 0.000 0.744 215 E HN 0.248 nan 8.360 nan 0.000 0.451 216 L N 0.516 121.807 121.223 0.114 0.000 2.741 216 L HA 0.173 4.511 4.340 -0.003 0.000 0.237 216 L C 0.071 177.077 176.870 0.226 0.000 1.178 216 L CA -0.303 54.608 54.840 0.119 0.000 0.973 216 L CB 0.273 42.394 42.059 0.103 0.000 1.255 216 L HN -0.104 nan 8.230 nan 0.000 0.498 217 T N 2.195 116.870 114.554 0.203 0.000 2.853 217 T HA 0.326 4.674 4.350 -0.003 0.000 0.298 217 T C -0.454 174.374 174.700 0.214 0.000 0.978 217 T CA 0.453 62.688 62.100 0.225 0.000 1.152 217 T CB 0.782 69.750 68.868 0.167 0.000 0.914 217 T HN -0.008 nan 8.240 nan 0.000 0.539 218 L N 5.394 126.779 121.223 0.270 0.000 2.562 218 L HA 0.566 4.904 4.340 -0.003 0.000 0.266 218 L C -1.810 175.241 176.870 0.301 0.000 0.949 218 L CA -0.517 54.479 54.840 0.260 0.000 0.879 218 L CB 1.551 43.761 42.059 0.252 0.000 1.278 218 L HN 0.462 nan 8.230 nan 0.000 0.404 219 I N 5.154 125.877 120.570 0.256 0.000 2.359 219 I HA 0.760 4.928 4.170 -0.003 0.000 0.284 219 I C 0.258 176.467 176.117 0.153 0.000 1.018 219 I CA -0.105 61.325 61.300 0.216 0.000 1.173 219 I CB 1.444 39.585 38.000 0.235 0.000 1.326 219 I HN 0.694 nan 8.210 nan 0.000 0.462 220 A N 5.195 128.041 122.820 0.044 0.000 2.320 220 A HA 0.879 5.198 4.320 -0.003 0.000 0.334 220 A C -1.059 176.324 177.584 -0.334 0.000 1.147 220 A CA -0.499 51.508 52.037 -0.050 0.000 0.820 220 A CB 0.491 19.410 19.000 -0.136 0.000 1.218 220 A HN 0.684 nan 8.150 nan 0.000 0.482 221 H N 0.436 119.447 119.070 -0.098 0.000 2.689 221 H HA 0.578 5.132 4.556 -0.003 0.000 0.346 221 H C -1.459 173.779 175.328 -0.151 0.000 1.037 221 H CA -0.604 55.405 56.048 -0.065 0.000 1.234 221 H CB 1.225 31.004 29.762 0.029 0.000 1.572 221 H HN 0.360 nan 8.280 nan 0.000 0.524 222 L N 5.387 126.569 121.223 -0.067 0.000 2.445 222 L HA 0.326 4.665 4.340 -0.003 0.000 0.252 222 L C -1.822 175.014 176.870 -0.057 0.000 1.105 222 L CA -1.402 53.372 54.840 -0.111 0.000 0.943 222 L CB 1.444 43.382 42.059 -0.201 0.000 1.277 222 L HN 0.486 nan 8.230 nan 0.000 0.465 223 P HA -0.139 nan 4.420 nan 0.000 0.215 223 P C 0.780 178.050 177.300 -0.051 0.000 1.153 223 P CA 1.241 64.330 63.100 -0.018 0.000 0.853 223 P CB 0.345 32.050 31.700 0.009 0.000 0.788 224 D N -0.938 119.435 120.400 -0.045 0.000 2.263 224 D HA -0.102 4.537 4.640 -0.003 0.000 0.208 224 D C 1.765 178.019 176.300 -0.075 0.000 0.971 224 D CA 0.865 54.833 54.000 -0.053 0.000 0.867 224 D CB -0.137 40.642 40.800 -0.035 0.000 0.929 224 D HN 0.270 nan 8.370 nan 0.000 0.492 225 R N -0.078 120.369 120.500 -0.088 0.000 2.334 225 R HA 0.193 4.532 4.340 -0.003 0.000 0.212 225 R C 0.163 176.372 176.300 -0.152 0.000 0.897 225 R CA -0.252 55.780 56.100 -0.113 0.000 1.056 225 R CB 0.682 30.917 30.300 -0.108 0.000 1.046 225 R HN -0.083 nan 8.270 nan 0.000 0.513 226 R N 1.327 121.741 120.500 -0.144 0.000 3.422 226 R HA -0.169 4.170 4.340 -0.003 0.000 0.267 226 R C -1.143 175.035 176.300 -0.203 0.000 1.074 226 R CA 0.812 56.801 56.100 -0.185 0.000 0.718 226 R CB -1.349 28.810 30.300 -0.234 0.000 1.157 226 R HN 0.307 nan 8.270 nan 0.000 0.440 227 E N -0.037 120.075 120.200 -0.146 0.000 2.266 227 E HA 0.522 4.870 4.350 -0.003 0.000 0.268 227 E C -0.401 176.153 176.600 -0.077 0.000 0.879 227 E CA -0.871 55.458 56.400 -0.118 0.000 0.762 227 E CB 1.880 31.517 29.700 -0.106 0.000 1.199 227 E HN 0.109 nan 8.360 nan 0.000 0.422 228 I N 3.701 124.253 120.570 -0.029 0.000 2.465 228 I HA 0.439 4.608 4.170 -0.003 0.000 0.291 228 I C -0.714 175.432 176.117 0.048 0.000 1.014 228 I CA -0.666 60.615 61.300 -0.031 0.000 1.093 228 I CB 1.442 39.456 38.000 0.022 0.000 1.267 228 I HN 0.353 nan 8.210 nan 0.000 0.431 229 I N 4.878 125.472 120.570 0.040 0.000 2.468 229 I HA 0.267 4.435 4.170 -0.003 0.000 0.284 229 I C -0.409 175.907 176.117 0.332 0.000 1.038 229 I CA -0.151 61.272 61.300 0.204 0.000 1.083 229 I CB 1.962 40.114 38.000 0.254 0.000 1.223 229 I HN 0.437 nan 8.210 nan 0.000 0.443 230 S N 6.730 122.698 115.700 0.446 0.000 2.519 230 S HA 0.691 5.159 4.470 -0.003 0.000 0.309 230 S C -1.317 173.572 174.600 0.482 0.000 1.100 230 S CA -0.382 58.083 58.200 0.441 0.000 1.059 230 S CB 0.903 64.328 63.200 0.374 0.000 1.008 230 S HN 0.405 nan 8.310 nan 0.000 0.478 231 F N 3.482 123.550 119.950 0.197 0.000 2.547 231 F HA 0.627 5.153 4.527 -0.003 0.000 0.316 231 F C 0.867 176.630 175.800 -0.063 0.000 1.121 231 F CA 0.536 58.490 58.000 -0.077 0.000 0.911 231 F CB 1.686 40.550 39.000 -0.227 0.000 1.179 231 F HN 0.836 nan 8.300 nan 0.000 0.443 232 G N 2.725 111.172 108.800 -0.588 0.000 2.217 232 G HA2 -0.207 3.751 3.960 -0.003 0.000 0.246 232 G HA3 -0.207 3.751 3.960 -0.003 0.000 0.246 232 G C -0.081 174.786 174.900 -0.056 0.000 0.990 232 G CA 0.216 45.135 45.100 -0.302 0.000 0.627 232 G HN 1.034 nan 8.290 nan 0.000 0.522 233 S N -0.696 115.039 115.700 0.058 0.000 2.536 233 S HA 0.681 5.150 4.470 -0.003 0.000 0.298 233 S C 1.084 175.863 174.600 0.300 0.000 1.083 233 S CA 0.654 58.982 58.200 0.213 0.000 0.995 233 S CB 1.667 65.031 63.200 0.273 0.000 1.058 233 S HN 1.302 nan 8.310 nan 0.000 0.488 234 G N 1.739 110.743 108.800 0.339 0.000 2.939 234 G HA2 0.119 4.077 3.960 -0.003 0.000 0.216 234 G HA3 0.119 4.077 3.960 -0.003 0.000 0.216 234 G C 0.042 175.237 174.900 0.493 0.000 1.125 234 G CA -0.179 45.064 45.100 0.239 0.000 0.766 234 G HN 0.725 nan 8.290 nan 0.000 0.541 235 Y N 2.237 122.815 120.300 0.463 0.000 2.712 235 Y HA 0.304 4.853 4.550 -0.003 0.000 0.333 235 Y C 1.648 177.715 175.900 0.278 0.000 1.225 235 Y CA 0.083 58.410 58.100 0.378 0.000 1.499 235 Y CB 1.127 39.731 38.460 0.240 0.000 1.288 235 Y HN -0.003 nan 8.280 nan 0.000 0.575 236 G N 3.982 112.412 108.800 -0.617 0.000 2.556 236 G HA2 -0.366 3.592 3.960 -0.003 0.000 0.220 236 G HA3 -0.366 3.592 3.960 -0.003 0.000 0.220 236 G C 1.571 176.098 174.900 -0.620 0.000 1.156 236 G CA 0.928 45.600 45.100 -0.713 0.000 0.766 236 G HN 1.023 nan 8.290 nan 0.000 0.583 237 G N 0.142 108.638 108.800 -0.508 0.000 2.471 237 G HA2 -0.124 3.834 3.960 -0.003 0.000 0.219 237 G HA3 -0.124 3.834 3.960 -0.003 0.000 0.219 237 G C 1.568 176.565 174.900 0.161 0.000 1.125 237 G CA 0.974 46.095 45.100 0.035 0.000 0.775 237 G HN 0.456 nan 8.290 nan 0.000 0.548 238 N N -0.083 118.746 118.700 0.216 0.000 2.322 238 N HA 0.020 4.758 4.740 -0.003 0.000 0.181 238 N C 2.099 177.708 175.510 0.164 0.000 1.088 238 N CA 1.065 54.262 53.050 0.246 0.000 0.885 238 N CB 0.584 39.274 38.487 0.338 0.000 1.013 238 N HN 0.444 nan 8.380 nan 0.000 0.472 239 S N -0.691 115.013 115.700 0.006 0.000 2.575 239 S HA 0.245 4.714 4.470 -0.003 0.000 0.230 239 S C 0.581 175.017 174.600 -0.275 0.000 1.062 239 S CA -0.360 57.720 58.200 -0.199 0.000 0.913 239 S CB 0.031 63.017 63.200 -0.356 0.000 0.837 239 S HN 0.001 nan 8.310 nan 0.000 0.487 240 L N 3.397 124.454 121.223 -0.277 0.000 2.404 240 L HA 0.333 4.671 4.340 -0.003 0.000 0.277 240 L C 0.897 177.642 176.870 -0.208 0.000 1.184 240 L CA -0.254 54.391 54.840 -0.325 0.000 1.013 240 L CB 0.072 41.860 42.059 -0.452 0.000 1.318 240 L HN 0.273 nan 8.230 nan 0.000 0.435 241 L N 1.929 123.066 121.223 -0.144 0.000 2.362 241 L HA -0.086 4.253 4.340 -0.003 0.000 0.219 241 L C 2.355 179.336 176.870 0.185 0.000 1.134 241 L CA 1.045 55.912 54.840 0.046 0.000 0.807 241 L CB -0.423 41.715 42.059 0.132 0.000 0.927 241 L HN 0.766 nan 8.230 nan 0.000 0.447 242 G N -0.206 108.587 108.800 -0.011 0.000 2.511 242 G HA2 -0.172 3.786 3.960 -0.003 0.000 0.217 242 G HA3 -0.172 3.786 3.960 -0.003 0.000 0.217 242 G C 1.568 176.458 174.900 -0.017 0.000 1.133 242 G CA 0.179 45.374 45.100 0.157 0.000 0.792 242 G HN 0.251 nan 8.290 nan 0.000 0.539 243 K N 0.173 120.532 120.400 -0.068 0.000 2.004 243 K HA 0.048 4.366 4.320 -0.003 0.000 0.217 243 K C 2.433 179.023 176.600 -0.016 0.000 1.026 243 K CA 0.602 56.831 56.287 -0.097 0.000 0.979 243 K CB -0.043 32.345 32.500 -0.187 0.000 0.818 243 K HN -0.137 nan 8.250 nan 0.000 0.447 244 K N 0.668 121.060 120.400 -0.013 0.000 2.007 244 K HA -0.074 4.244 4.320 -0.003 0.000 0.206 244 K C 2.403 179.128 176.600 0.208 0.000 1.047 244 K CA 1.353 57.646 56.287 0.009 0.000 0.937 244 K CB -0.932 31.612 32.500 0.074 0.000 0.718 244 K HN 0.399 nan 8.250 nan 0.000 0.438 245 C N 0.931 120.416 119.300 0.308 0.000 2.401 245 C HA -0.129 4.329 4.460 -0.003 0.000 0.276 245 C C 2.588 177.886 174.990 0.515 0.000 1.233 245 C CA 0.550 59.859 59.018 0.484 0.000 1.753 245 C CB -0.870 27.061 27.740 0.318 0.000 2.029 245 C HN 0.405 nan 8.230 nan 0.000 0.478 246 F N 1.769 121.875 119.950 0.260 0.000 2.298 246 F HA 0.373 4.898 4.527 -0.003 0.000 0.282 246 F C 2.252 178.256 175.800 0.340 0.000 1.045 246 F CA 1.067 59.240 58.000 0.288 0.000 1.280 246 F CB -1.275 37.913 39.000 0.314 0.000 1.114 246 F HN 0.088 nan 8.300 nan 0.000 0.546 247 A N 0.747 123.736 122.820 0.282 0.000 2.067 247 A HA 0.043 4.361 4.320 -0.003 0.000 0.219 247 A C 2.236 180.116 177.584 0.493 0.000 1.158 247 A CA 1.417 53.680 52.037 0.377 0.000 0.661 247 A CB -0.645 18.400 19.000 0.076 0.000 0.801 247 A HN 0.501 nan 8.150 nan 0.000 0.452 248 L N -2.387 119.013 121.223 0.295 0.000 2.546 248 L HA 0.126 4.465 4.340 -0.003 0.000 0.182 248 L C 2.700 179.715 176.870 0.241 0.000 1.167 248 L CA 0.163 55.134 54.840 0.218 0.000 0.845 248 L CB -0.404 41.637 42.059 -0.030 0.000 1.134 248 L HN 0.235 nan 8.230 nan 0.000 0.500 249 R N -0.194 120.445 120.500 0.231 0.000 2.096 249 R HA -0.154 4.184 4.340 -0.003 0.000 0.229 249 R C 2.197 178.623 176.300 0.211 0.000 1.134 249 R CA 1.558 57.773 56.100 0.191 0.000 0.917 249 R CB -0.334 30.000 30.300 0.057 0.000 0.832 249 R HN 0.253 nan 8.270 nan 0.000 0.430 250 M N 0.099 119.858 119.600 0.265 0.000 2.117 250 M HA -0.104 4.374 4.480 -0.003 0.000 0.262 250 M C 2.505 178.895 176.300 0.151 0.000 1.065 250 M CA 1.614 57.038 55.300 0.207 0.000 1.114 250 M CB -0.983 31.747 32.600 0.216 0.000 1.361 250 M HN 0.251 nan 8.290 nan 0.000 0.408 251 A N 0.827 123.783 122.820 0.227 0.000 1.902 251 A HA -0.156 4.163 4.320 -0.003 0.000 0.217 251 A C 2.406 179.864 177.584 -0.210 0.000 1.181 251 A CA 2.403 54.464 52.037 0.039 0.000 0.623 251 A CB -0.955 18.126 19.000 0.134 0.000 0.818 251 A HN 0.629 nan 8.150 nan 0.000 0.443 252 S N -0.759 114.952 115.700 0.018 0.000 2.400 252 S HA -0.187 4.282 4.470 -0.003 0.000 0.232 252 S C 2.091 176.701 174.600 0.017 0.000 1.025 252 S CA 1.223 59.485 58.200 0.104 0.000 0.993 252 S CB -0.388 63.053 63.200 0.401 0.000 0.808 252 S HN 0.478 nan 8.310 nan 0.000 0.478 253 R N 1.201 121.689 120.500 -0.019 0.000 2.057 253 R HA 0.215 4.553 4.340 -0.003 0.000 0.229 253 R C 2.393 178.467 176.300 -0.377 0.000 1.136 253 R CA 1.223 57.170 56.100 -0.254 0.000 0.952 253 R CB -1.180 29.079 30.300 -0.067 0.000 0.848 253 R HN 0.493 nan 8.270 nan 0.000 0.430 254 L N 0.236 121.290 121.223 -0.282 0.000 1.956 254 L HA -0.244 4.095 4.340 -0.003 0.000 0.216 254 L C 2.671 179.244 176.870 -0.496 0.000 1.073 254 L CA 1.806 56.486 54.840 -0.267 0.000 0.762 254 L CB -0.879 41.115 42.059 -0.109 0.000 0.889 254 L HN 0.200 nan 8.230 nan 0.000 0.433 255 A N -0.114 122.083 122.820 -1.038 0.000 1.915 255 A HA -0.313 4.005 4.320 -0.003 0.000 0.220 255 A C 2.390 179.449 177.584 -0.875 0.000 1.198 255 A CA 2.336 53.317 52.037 -1.760 0.000 0.647 255 A CB -0.693 17.053 19.000 -2.090 0.000 0.825 255 A HN 0.351 nan 8.150 nan 0.000 0.456 256 K N 0.081 120.023 120.400 -0.764 0.000 2.211 256 K HA -0.188 4.130 4.320 -0.003 0.000 0.204 256 K C 1.522 177.732 176.600 -0.650 0.000 1.047 256 K CA 1.943 57.650 56.287 -0.966 0.000 0.935 256 K CB -0.199 31.657 32.500 -1.073 0.000 0.728 256 K HN 0.710 nan 8.250 nan 0.000 0.452 257 E N -0.227 119.700 120.200 -0.454 0.000 2.385 257 E HA -0.045 4.303 4.350 -0.003 0.000 0.194 257 E C 0.359 176.880 176.600 -0.131 0.000 1.013 257 E CA 0.483 56.727 56.400 -0.260 0.000 0.866 257 E CB 0.362 29.937 29.700 -0.208 0.000 0.832 257 E HN 0.391 nan 8.360 nan 0.000 0.500 258 E N -0.748 119.390 120.200 -0.103 0.000 2.734 258 E HA 0.212 4.561 4.350 -0.003 0.000 0.211 258 E C 0.647 177.385 176.600 0.230 0.000 0.991 258 E CA 0.201 56.664 56.400 0.105 0.000 1.065 258 E CB 1.368 31.236 29.700 0.279 0.000 1.047 258 E HN 0.258 nan 8.360 nan 0.000 0.470 259 G N 1.631 110.523 108.800 0.153 0.000 2.253 259 G HA2 -0.243 3.715 3.960 -0.003 0.000 0.251 259 G HA3 -0.243 3.715 3.960 -0.003 0.000 0.251 259 G C 0.252 175.318 174.900 0.276 0.000 0.998 259 G CA 0.473 45.728 45.100 0.258 0.000 0.621 259 G HN 0.354 nan 8.290 nan 0.000 0.524 260 W N -0.121 121.204 121.300 0.041 0.000 2.615 260 W HA 0.830 5.489 4.660 -0.002 0.000 0.423 260 W C -0.276 176.254 176.519 0.018 0.000 1.666 260 W CA -1.416 55.911 57.345 -0.031 0.000 1.717 260 W CB 0.232 29.655 29.460 -0.061 0.000 1.696 260 W HN 0.145 nan 8.180 nan 0.000 0.701 261 L N 1.120 122.422 121.223 0.131 0.000 2.431 261 L HA 0.635 4.973 4.340 -0.003 0.000 0.266 261 L C -0.589 176.382 176.870 0.169 0.000 0.978 261 L CA -1.048 53.787 54.840 -0.008 0.000 0.822 261 L CB 1.877 43.856 42.059 -0.133 0.000 1.310 261 L HN 0.593 nan 8.230 nan 0.000 0.409 262 A N 2.596 125.494 122.820 0.130 0.000 2.310 262 A HA 0.771 5.089 4.320 -0.003 0.000 0.304 262 A C -0.814 177.033 177.584 0.438 0.000 1.231 262 A CA -0.519 51.714 52.037 0.327 0.000 0.799 262 A CB 0.783 19.859 19.000 0.126 0.000 1.162 262 A HN 0.591 nan 8.150 nan 0.000 0.486 263 E N 0.599 121.088 120.200 0.480 0.000 2.336 263 E HA 0.209 4.557 4.350 -0.003 0.000 0.267 263 E C -0.883 175.953 176.600 0.393 0.000 0.906 263 E CA -0.615 56.075 56.400 0.484 0.000 0.781 263 E CB 1.414 31.449 29.700 0.558 0.000 1.261 263 E HN 0.772 nan 8.360 nan 0.000 0.436 264 H N 2.102 121.312 119.070 0.234 0.000 2.970 264 H HA 0.277 4.832 4.556 -0.003 0.000 0.226 264 H C -0.664 174.750 175.328 0.144 0.000 1.909 264 H CA -0.022 56.094 56.048 0.114 0.000 1.388 264 H CB -0.166 29.663 29.762 0.112 0.000 1.773 264 H HN 0.174 nan 8.280 nan 0.000 0.559 265 M N 3.848 123.543 119.600 0.159 0.000 2.395 265 M HA 0.177 4.655 4.480 -0.003 0.000 0.307 265 M C -0.822 175.494 176.300 0.026 0.000 1.091 265 M CA -1.344 53.992 55.300 0.059 0.000 0.919 265 M CB 2.541 35.232 32.600 0.153 0.000 1.662 265 M HN 0.279 nan 8.290 nan 0.000 0.440 266 L N 1.766 122.957 121.223 -0.055 0.000 2.453 266 L HA 0.807 5.146 4.340 -0.003 0.000 0.261 266 L C -0.764 176.126 176.870 0.033 0.000 1.179 266 L CA -0.392 54.442 54.840 -0.010 0.000 0.813 266 L CB 0.487 42.509 42.059 -0.062 0.000 1.110 266 L HN 0.451 nan 8.230 nan 0.000 0.466 267 V N 3.232 123.199 119.914 0.088 0.000 2.638 267 V HA 0.656 4.774 4.120 -0.003 0.000 0.306 267 V C -0.392 175.809 176.094 0.177 0.000 1.052 267 V CA -0.428 61.953 62.300 0.135 0.000 0.885 267 V CB 1.467 33.376 31.823 0.144 0.000 0.999 267 V HN 0.944 nan 8.190 nan 0.000 0.424 268 L N 2.491 123.836 121.223 0.203 0.000 2.393 268 L HA 1.111 5.449 4.340 -0.003 0.000 0.260 268 L C -0.024 176.968 176.870 0.203 0.000 1.002 268 L CA -0.546 54.409 54.840 0.192 0.000 0.818 268 L CB 2.093 44.220 42.059 0.115 0.000 1.369 268 L HN 0.619 nan 8.230 nan 0.000 0.412 269 G N 1.832 110.669 108.800 0.062 0.000 2.422 269 G HA2 0.659 4.618 3.960 -0.003 0.000 0.317 269 G HA3 0.659 4.618 3.960 -0.003 0.000 0.317 269 G C -1.335 173.496 174.900 -0.116 0.000 1.210 269 G CA -0.484 44.423 45.100 -0.322 0.000 0.930 269 G HN 0.900 nan 8.290 nan 0.000 0.468 270 I N 1.891 122.437 120.570 -0.039 0.000 2.474 270 I HA 0.608 4.776 4.170 -0.003 0.000 0.294 270 I C -0.591 175.621 176.117 0.158 0.000 1.005 270 I CA -0.490 60.889 61.300 0.132 0.000 1.113 270 I CB 2.110 40.272 38.000 0.269 0.000 1.289 270 I HN 0.362 nan 8.210 nan 0.000 0.436 271 T N 6.239 120.832 114.554 0.065 0.000 2.824 271 T HA 0.344 4.692 4.350 -0.003 0.000 0.282 271 T C -0.296 174.096 174.700 -0.514 0.000 0.993 271 T CA -0.709 61.326 62.100 -0.109 0.000 0.967 271 T CB 1.112 69.919 68.868 -0.102 0.000 0.960 271 T HN 0.738 nan 8.240 nan 0.000 0.441 272 N N 3.072 121.185 118.700 -0.978 0.000 2.364 272 N HA 0.300 5.038 4.740 -0.003 0.000 0.264 272 N C -2.289 172.572 175.510 -1.082 0.000 1.263 272 N CA -2.159 49.750 53.050 -1.903 0.000 0.959 272 N CB -0.138 37.242 38.487 -1.844 0.000 1.204 272 N HN 0.108 nan 8.380 nan 0.000 0.550 273 P HA -0.001 nan 4.420 nan 0.000 0.226 273 P C -0.026 177.087 177.300 -0.311 0.000 1.153 273 P CA 1.154 63.950 63.100 -0.506 0.000 0.777 273 P CB 0.184 31.667 31.700 -0.361 0.000 0.794 274 E N -1.400 118.616 120.200 -0.308 0.000 2.465 274 E HA 0.279 4.627 4.350 -0.003 0.000 0.191 274 E C 1.449 177.969 176.600 -0.133 0.000 1.053 274 E CA 0.469 56.768 56.400 -0.168 0.000 0.869 274 E CB -0.757 28.876 29.700 -0.113 0.000 0.977 274 E HN 0.124 nan 8.360 nan 0.000 0.483 275 G N 1.064 109.759 108.800 -0.174 0.000 2.176 275 G HA2 -0.361 3.598 3.960 -0.003 0.000 0.253 275 G HA3 -0.361 3.598 3.960 -0.003 0.000 0.253 275 G C 0.124 174.989 174.900 -0.059 0.000 0.979 275 G CA 0.244 45.278 45.100 -0.110 0.000 0.641 275 G HN 0.359 nan 8.290 nan 0.000 0.530 276 E N 0.598 120.778 120.200 -0.033 0.000 2.316 276 E HA 0.501 4.849 4.350 -0.003 0.000 0.275 276 E C 0.061 176.763 176.600 0.171 0.000 1.029 276 E CA -0.385 56.071 56.400 0.093 0.000 0.871 276 E CB 0.418 30.242 29.700 0.206 0.000 1.022 276 E HN 0.316 nan 8.360 nan 0.000 0.418 277 K N 3.861 124.329 120.400 0.112 0.000 2.324 277 K HA 0.381 4.699 4.320 -0.003 0.000 0.253 277 K C -1.224 175.388 176.600 0.020 0.000 0.932 277 K CA -0.679 55.655 56.287 0.077 0.000 0.799 277 K CB 1.126 33.603 32.500 -0.038 0.000 1.154 277 K HN 0.370 nan 8.250 nan 0.000 0.425 278 K N 2.469 122.878 120.400 0.014 0.000 2.477 278 K HA 0.325 4.644 4.320 -0.003 0.000 0.255 278 K C -1.499 175.029 176.600 -0.119 0.000 0.952 278 K CA -0.890 55.370 56.287 -0.045 0.000 0.826 278 K CB 1.712 34.145 32.500 -0.112 0.000 1.331 278 K HN 0.376 nan 8.250 nan 0.000 0.437 279 Y N 1.293 121.643 120.300 0.083 0.000 2.352 279 Y HA 0.453 5.001 4.550 -0.003 0.000 0.339 279 Y C -0.191 175.767 175.900 0.097 0.000 0.992 279 Y CA -0.805 57.352 58.100 0.096 0.000 1.100 279 Y CB 1.249 39.757 38.460 0.080 0.000 1.192 279 Y HN 0.181 nan 8.280 nan 0.000 0.458 280 L N 2.863 124.231 121.223 0.241 0.000 2.341 280 L HA 0.951 5.289 4.340 -0.003 0.000 0.267 280 L C -0.501 176.457 176.870 0.146 0.000 1.009 280 L CA -1.230 53.716 54.840 0.177 0.000 0.819 280 L CB 2.000 44.146 42.059 0.145 0.000 1.323 280 L HN 0.658 nan 8.230 nan 0.000 0.425 281 A N 1.460 124.342 122.820 0.104 0.000 2.374 281 A HA 0.958 5.277 4.320 -0.003 0.000 0.317 281 A C -0.904 176.656 177.584 -0.040 0.000 1.094 281 A CA -0.471 51.602 52.037 0.060 0.000 0.765 281 A CB 1.783 20.848 19.000 0.108 0.000 1.268 281 A HN 0.799 nan 8.150 nan 0.000 0.438 282 A N 0.604 123.335 122.820 -0.148 0.000 2.422 282 A HA 0.786 5.105 4.320 -0.003 0.000 0.302 282 A C -0.324 177.013 177.584 -0.411 0.000 1.041 282 A CA 0.100 51.910 52.037 -0.378 0.000 0.708 282 A CB 1.314 19.894 19.000 -0.700 0.000 1.257 282 A HN 2.274 nan 8.150 nan 0.000 0.414 283 A N 2.371 125.058 122.820 -0.221 0.000 2.256 283 A HA 0.762 5.081 4.320 -0.003 0.000 0.317 283 A C -0.871 176.791 177.584 0.130 0.000 1.318 283 A CA -0.234 51.806 52.037 0.005 0.000 0.894 283 A CB -0.152 19.055 19.000 0.345 0.000 1.165 283 A HN 0.690 nan 8.150 nan 0.000 0.525 284 F N 2.878 122.813 119.950 -0.024 0.000 2.551 284 F HA 0.450 4.976 4.527 -0.002 0.000 0.316 284 F C -2.105 173.686 175.800 -0.016 0.000 1.089 284 F CA -2.475 55.508 58.000 -0.029 0.000 0.915 284 F CB 2.703 41.693 39.000 -0.017 0.000 1.186 284 F HN 0.386 nan 8.300 nan 0.000 0.456 285 P HA 0.141 nan 4.420 nan 0.000 0.293 285 P C 0.376 177.768 177.300 0.155 0.000 1.298 285 P CA -0.056 63.146 63.100 0.170 0.000 0.757 285 P CB 0.448 32.190 31.700 0.070 0.000 1.262 286 S N -0.616 115.163 115.700 0.132 0.000 2.320 286 S HA -0.353 4.115 4.470 -0.003 0.000 0.320 286 S C 1.543 176.188 174.600 0.075 0.000 1.090 286 S CA 2.172 60.434 58.200 0.104 0.000 1.631 286 S CB -1.802 61.417 63.200 0.033 0.000 1.389 286 S HN 0.695 nan 8.310 nan 0.000 0.474 287 A N -0.192 122.632 122.820 0.007 0.000 3.325 287 A HA 0.317 4.635 4.320 -0.003 0.000 0.187 287 A C 1.953 179.567 177.584 0.051 0.000 1.800 287 A CA 0.731 52.764 52.037 -0.006 0.000 0.766 287 A CB -1.163 17.779 19.000 -0.097 0.000 1.206 287 A HN 1.278 nan 8.150 nan 0.000 0.449 288 C N -2.261 117.039 119.300 0.001 0.000 4.570 288 C HA -0.115 4.343 4.460 -0.003 0.000 0.280 288 C C 1.523 176.688 174.990 0.293 0.000 1.622 288 C CA 0.812 59.909 59.018 0.132 0.000 1.837 288 C CB -2.354 25.366 27.740 -0.034 0.000 1.869 288 C HN 2.627 nan 8.230 nan 0.000 0.686 289 G N 0.053 109.028 108.800 0.292 0.000 2.295 289 G HA2 -0.316 3.643 3.960 -0.003 0.000 0.287 289 G HA3 -0.316 3.643 3.960 -0.003 0.000 0.287 289 G C 0.801 175.934 174.900 0.389 0.000 1.055 289 G CA 0.756 46.044 45.100 0.313 0.000 0.922 289 G HN 0.617 nan 8.290 nan 0.000 0.503 290 K N -0.494 120.129 120.400 0.372 0.000 2.001 290 K HA -0.145 4.174 4.320 -0.003 0.000 0.214 290 K C 2.637 179.332 176.600 0.160 0.000 1.050 290 K CA 2.168 58.633 56.287 0.296 0.000 0.934 290 K CB -0.662 31.915 32.500 0.129 0.000 0.718 290 K HN 0.482 nan 8.250 nan 0.000 0.443 291 T N 1.887 116.499 114.554 0.096 0.000 2.833 291 T HA -0.074 4.274 4.350 -0.003 0.000 0.269 291 T C 1.547 176.259 174.700 0.021 0.000 1.054 291 T CA 1.094 63.201 62.100 0.012 0.000 1.135 291 T CB -0.182 68.680 68.868 -0.010 0.000 0.869 291 T HN 0.202 nan 8.240 nan 0.000 0.466 292 N N 1.102 119.860 118.700 0.097 0.000 2.244 292 N HA -0.001 4.738 4.740 -0.003 0.000 0.183 292 N C 1.671 177.233 175.510 0.087 0.000 1.016 292 N CA 0.549 53.656 53.050 0.095 0.000 0.866 292 N CB -0.399 38.189 38.487 0.168 0.000 0.980 292 N HN 0.251 nan 8.380 nan 0.000 0.430 293 L N 1.027 122.341 121.223 0.151 0.000 2.095 293 L HA 0.169 4.508 4.340 -0.003 0.000 0.204 293 L C 2.084 179.000 176.870 0.077 0.000 1.080 293 L CA 1.207 56.139 54.840 0.153 0.000 0.759 293 L CB -1.033 41.221 42.059 0.324 0.000 0.914 293 L HN 0.072 nan 8.230 nan 0.000 0.439 294 A N 0.437 123.284 122.820 0.045 0.000 1.948 294 A HA -0.187 4.132 4.320 -0.003 0.000 0.220 294 A C 1.827 179.394 177.584 -0.028 0.000 1.177 294 A CA 2.232 54.272 52.037 0.005 0.000 0.636 294 A CB -0.689 18.294 19.000 -0.029 0.000 0.815 294 A HN 0.638 nan 8.150 nan 0.000 0.449 295 M N -1.702 117.858 119.600 -0.067 0.000 2.876 295 M HA 0.463 4.941 4.480 -0.003 0.000 0.367 295 M C 0.115 176.386 176.300 -0.049 0.000 1.242 295 M CA -0.332 54.918 55.300 -0.083 0.000 0.889 295 M CB 0.115 32.609 32.600 -0.177 0.000 1.353 295 M HN 0.318 nan 8.290 nan 0.000 0.511 296 M N 2.403 121.993 119.600 -0.017 0.000 2.250 296 M HA 0.135 4.613 4.480 -0.003 0.000 0.337 296 M C -0.777 175.512 176.300 -0.019 0.000 1.161 296 M CA 0.860 56.151 55.300 -0.015 0.000 1.088 296 M CB 0.518 33.112 32.600 -0.009 0.000 1.639 296 M HN 0.480 nan 8.290 nan 0.000 0.447 297 N N 6.827 125.510 118.700 -0.029 0.000 2.485 297 N HA 0.480 5.218 4.740 -0.003 0.000 0.243 297 N C -2.625 172.868 175.510 -0.028 0.000 0.987 297 N CA -1.692 51.343 53.050 -0.025 0.000 0.940 297 N CB 0.952 39.417 38.487 -0.037 0.000 1.122 297 N HN 0.391 nan 8.380 nan 0.000 0.509 298 P HA 0.094 nan 4.420 nan 0.000 0.275 298 P C 0.165 177.443 177.300 -0.037 0.000 1.227 298 P CA -0.220 62.859 63.100 -0.035 0.000 0.781 298 P CB 1.271 32.971 31.700 0.000 0.000 0.906 299 S N 2.744 118.400 115.700 -0.073 0.000 2.461 299 S HA 0.010 4.479 4.470 -0.003 0.000 0.228 299 S C 1.043 175.615 174.600 -0.046 0.000 1.005 299 S CA 0.044 58.205 58.200 -0.065 0.000 0.942 299 S CB -0.595 62.548 63.200 -0.095 0.000 0.776 299 S HN 0.366 nan 8.310 nan 0.000 0.514 300 L N 3.112 124.293 121.223 -0.070 0.000 2.418 300 L HA 0.322 4.660 4.340 -0.003 0.000 0.274 300 L C -2.439 174.516 176.870 0.141 0.000 1.135 300 L CA -2.061 52.763 54.840 -0.027 0.000 0.870 300 L CB 0.100 42.002 42.059 -0.262 0.000 1.154 300 L HN 0.025 nan 8.230 nan 0.000 0.462 301 P HA 0.023 nan 4.420 nan 0.000 0.262 301 P C 0.815 178.224 177.300 0.180 0.000 1.182 301 P CA 0.608 63.780 63.100 0.119 0.000 0.761 301 P CB 0.764 32.509 31.700 0.075 0.000 0.795 302 G N 0.538 109.395 108.800 0.095 0.000 2.176 302 G HA2 -0.225 3.733 3.960 -0.003 0.000 0.253 302 G HA3 -0.225 3.733 3.960 -0.003 0.000 0.253 302 G C -0.311 174.531 174.900 -0.097 0.000 0.979 302 G CA -0.531 44.562 45.100 -0.011 0.000 0.641 302 G HN 0.378 nan 8.290 nan 0.000 0.530 303 W N 0.162 121.417 121.300 -0.075 0.000 2.415 303 W HA 0.771 5.429 4.660 -0.002 0.000 0.355 303 W C 0.595 177.071 176.519 -0.071 0.000 1.161 303 W CA -0.607 56.681 57.345 -0.096 0.000 1.315 303 W CB 1.061 30.457 29.460 -0.107 0.000 1.261 303 W HN 0.079 nan 8.180 nan 0.000 0.636 304 K N 1.052 121.559 120.400 0.177 0.000 2.565 304 K HA 0.538 4.856 4.320 -0.003 0.000 0.251 304 K C -2.037 174.621 176.600 0.096 0.000 0.956 304 K CA -0.521 55.817 56.287 0.085 0.000 0.809 304 K CB 1.695 34.201 32.500 0.010 0.000 1.267 304 K HN 0.289 nan 8.250 nan 0.000 0.438 305 V N 3.513 123.471 119.914 0.073 0.000 2.495 305 V HA 0.419 4.537 4.120 -0.003 0.000 0.298 305 V C -0.731 175.386 176.094 0.038 0.000 1.031 305 V CA -0.646 61.691 62.300 0.061 0.000 0.871 305 V CB 1.761 33.618 31.823 0.057 0.000 0.988 305 V HN 0.794 nan 8.190 nan 0.000 0.432 306 E N 2.115 122.339 120.200 0.040 0.000 2.238 306 E HA 0.443 4.791 4.350 -0.003 0.000 0.267 306 E C -1.298 175.355 176.600 0.088 0.000 0.887 306 E CA -0.531 55.901 56.400 0.054 0.000 0.769 306 E CB 2.324 32.062 29.700 0.063 0.000 1.187 306 E HN 0.716 nan 8.360 nan 0.000 0.416 307 C N 3.402 122.750 119.300 0.080 0.000 2.307 307 C HA 0.352 4.810 4.460 -0.003 0.000 0.340 307 C C 1.283 176.376 174.990 0.171 0.000 1.275 307 C CA -0.292 58.786 59.018 0.100 0.000 1.811 307 C CB -0.304 27.451 27.740 0.026 0.000 2.372 307 C HN 0.710 nan 8.230 nan 0.000 0.531 308 V N 5.155 125.206 119.914 0.227 0.000 2.581 308 V HA 0.417 4.535 4.120 -0.003 0.000 0.240 308 V C 1.369 177.626 176.094 0.271 0.000 1.054 308 V CA 1.362 63.831 62.300 0.283 0.000 1.076 308 V CB -0.049 31.934 31.823 0.266 0.000 0.748 308 V HN 1.063 nan 8.190 nan 0.000 0.474 309 G N -0.146 108.797 108.800 0.239 0.000 2.673 309 G HA2 0.455 4.413 3.960 -0.003 0.000 0.292 309 G HA3 0.455 4.413 3.960 -0.003 0.000 0.292 309 G C -0.863 174.166 174.900 0.214 0.000 1.450 309 G CA 0.437 45.696 45.100 0.265 0.000 0.837 309 G HN 0.127 nan 8.290 nan 0.000 0.505 310 D N -1.061 119.495 120.400 0.260 0.000 2.469 310 D HA 0.167 4.806 4.640 -0.003 0.000 0.213 310 D C 0.366 176.725 176.300 0.097 0.000 1.135 310 D CA 0.255 54.330 54.000 0.125 0.000 0.834 310 D CB 1.296 42.124 40.800 0.047 0.000 1.009 310 D HN 0.325 nan 8.370 nan 0.000 0.507 311 D N -0.677 119.792 120.400 0.115 0.000 2.464 311 D HA 0.198 4.836 4.640 -0.003 0.000 0.272 311 D C -0.174 176.198 176.300 0.120 0.000 1.224 311 D CA 0.188 54.251 54.000 0.105 0.000 1.118 311 D CB 1.012 41.895 40.800 0.138 0.000 1.710 311 D HN -0.039 nan 8.370 nan 0.000 0.479 312 I N 1.654 122.273 120.570 0.081 0.000 2.509 312 I HA 0.716 4.885 4.170 -0.003 0.000 0.293 312 I C -0.639 175.510 176.117 0.053 0.000 1.020 312 I CA -1.036 60.310 61.300 0.076 0.000 1.088 312 I CB 1.368 39.360 38.000 -0.012 0.000 1.267 312 I HN 0.088 nan 8.210 nan 0.000 0.430 313 A N 5.921 128.839 122.820 0.162 0.000 2.374 313 A HA 0.718 5.036 4.320 -0.003 0.000 0.305 313 A C -1.897 175.944 177.584 0.429 0.000 1.053 313 A CA -0.459 51.691 52.037 0.188 0.000 0.726 313 A CB 1.099 20.214 19.000 0.191 0.000 1.229 313 A HN 0.593 nan 8.150 nan 0.000 0.431 314 W N 2.187 123.593 121.300 0.178 0.000 2.376 314 W HA 0.694 5.353 4.660 -0.003 0.000 0.312 314 W C -0.276 176.348 176.519 0.176 0.000 1.060 314 W CA -1.138 56.374 57.345 0.278 0.000 1.221 314 W CB 1.108 30.704 29.460 0.227 0.000 1.281 314 W HN 0.514 nan 8.180 nan 0.000 0.456 315 M N 3.335 123.187 119.600 0.420 0.000 2.395 315 M HA 0.449 4.927 4.480 -0.003 0.000 0.307 315 M C -0.410 175.958 176.300 0.112 0.000 1.091 315 M CA -0.761 54.642 55.300 0.172 0.000 0.919 315 M CB 3.103 35.739 32.600 0.060 0.000 1.662 315 M HN 0.249 nan 8.290 nan 0.000 0.440 316 K N 2.271 122.670 120.400 -0.001 0.000 2.535 316 K HA 0.508 4.826 4.320 -0.003 0.000 0.251 316 K C -1.564 174.988 176.600 -0.081 0.000 0.942 316 K CA -0.515 55.755 56.287 -0.029 0.000 0.798 316 K CB 1.950 34.469 32.500 0.031 0.000 1.267 316 K HN 0.569 nan 8.250 nan 0.000 0.434 317 F N 3.470 123.355 119.950 -0.108 0.000 2.608 317 F HA -0.093 4.433 4.527 -0.002 0.000 0.380 317 F C 1.386 177.151 175.800 -0.057 0.000 1.083 317 F CA 0.183 58.077 58.000 -0.177 0.000 1.266 317 F CB 0.428 39.111 39.000 -0.528 0.000 1.076 317 F HN 0.650 nan 8.300 nan 0.000 0.574 318 D N 2.680 123.206 120.400 0.209 0.000 2.506 318 D HA 0.281 4.919 4.640 -0.003 0.000 0.272 318 D C 0.926 177.304 176.300 0.131 0.000 1.214 318 D CA -0.254 53.831 54.000 0.142 0.000 1.067 318 D CB 0.407 41.282 40.800 0.125 0.000 1.117 318 D HN 0.438 nan 8.370 nan 0.000 0.578 319 A N -0.823 122.054 122.820 0.094 0.000 2.076 319 A HA -0.191 4.128 4.320 -0.003 0.000 0.220 319 A C 1.816 179.429 177.584 0.048 0.000 1.160 319 A CA 1.447 53.524 52.037 0.067 0.000 0.653 319 A CB -0.659 18.368 19.000 0.045 0.000 0.801 319 A HN 0.464 nan 8.150 nan 0.000 0.455 320 Q N -1.646 118.196 119.800 0.070 0.000 2.280 320 Q HA 0.352 4.691 4.340 -0.003 0.000 0.201 320 Q C 1.028 176.953 176.000 -0.126 0.000 0.890 320 Q CA 0.712 56.529 55.803 0.024 0.000 0.947 320 Q CB 0.310 29.137 28.738 0.149 0.000 1.081 320 Q HN 0.872 nan 8.270 nan 0.000 0.502 321 G N 0.187 108.943 108.800 -0.072 0.000 2.136 321 G HA2 -0.242 3.717 3.960 -0.003 0.000 0.242 321 G HA3 -0.242 3.717 3.960 -0.003 0.000 0.242 321 G C -0.356 174.493 174.900 -0.084 0.000 0.989 321 G CA -0.283 44.699 45.100 -0.195 0.000 0.682 321 G HN 0.400 nan 8.290 nan 0.000 0.522 322 H N -0.678 118.486 119.070 0.157 0.000 2.580 322 H HA 0.369 4.923 4.556 -0.003 0.000 0.322 322 H C 0.295 175.733 175.328 0.182 0.000 1.082 322 H CA -0.622 55.523 56.048 0.163 0.000 1.383 322 H CB 1.736 31.548 29.762 0.082 0.000 1.450 322 H HN 0.153 nan 8.280 nan 0.000 0.505 323 L N 5.288 126.634 121.223 0.206 0.000 2.485 323 L HA 0.058 4.396 4.340 -0.003 0.000 0.279 323 L C 0.309 177.179 176.870 0.000 0.000 1.124 323 L CA 0.102 54.891 54.840 -0.085 0.000 0.888 323 L CB -0.224 41.709 42.059 -0.210 0.000 1.217 323 L HN 0.365 nan 8.230 nan 0.000 0.464 324 R N 4.498 124.992 120.500 -0.011 0.000 2.254 324 R HA 0.635 4.974 4.340 -0.003 0.000 0.318 324 R C -0.500 175.796 176.300 -0.007 0.000 1.031 324 R CA -0.356 55.739 56.100 -0.008 0.000 0.905 324 R CB 1.275 31.572 30.300 -0.005 0.000 1.050 324 R HN 0.705 nan 8.270 nan 0.000 0.456 325 A N 4.072 126.882 122.820 -0.018 0.000 2.324 325 A HA 0.690 5.008 4.320 -0.003 0.000 0.330 325 A C -0.221 177.354 177.584 -0.015 0.000 1.165 325 A CA -0.762 51.287 52.037 0.021 0.000 0.813 325 A CB 0.725 19.749 19.000 0.040 0.000 1.197 325 A HN 0.740 nan 8.150 nan 0.000 0.484 326 I N -0.310 120.273 120.570 0.021 0.000 2.730 326 I HA 0.592 4.761 4.170 -0.003 0.000 0.298 326 I C -0.768 175.294 176.117 -0.091 0.000 1.089 326 I CA -0.860 60.413 61.300 -0.044 0.000 1.041 326 I CB 2.278 40.239 38.000 -0.065 0.000 1.235 326 I HN 0.416 nan 8.210 nan 0.000 0.423 327 N N 6.710 125.354 118.700 -0.093 0.000 2.420 327 N HA 0.455 5.194 4.740 -0.003 0.000 0.249 327 N C -1.918 173.429 175.510 -0.271 0.000 1.033 327 N CA -2.549 50.431 53.050 -0.116 0.000 0.944 327 N CB 1.130 39.667 38.487 0.083 0.000 1.113 327 N HN 0.521 nan 8.380 nan 0.000 0.502 328 P HA 0.051 nan 4.420 nan 0.000 0.249 328 P C -0.379 176.675 177.300 -0.410 0.000 1.229 328 P CA 0.517 63.181 63.100 -0.726 0.000 0.788 328 P CB 0.557 31.272 31.700 -1.642 0.000 1.072 329 E N 0.095 120.143 120.200 -0.253 0.000 2.280 329 E HA 0.170 4.519 4.350 -0.003 0.000 0.264 329 E C 0.271 176.856 176.600 -0.026 0.000 1.064 329 E CA -0.395 55.917 56.400 -0.147 0.000 0.900 329 E CB 0.505 30.129 29.700 -0.126 0.000 1.123 329 E HN -0.148 nan 8.360 nan 0.000 0.418 330 N N -0.530 118.148 118.700 -0.037 0.000 2.171 330 N HA 0.177 4.916 4.740 -0.003 0.000 0.212 330 N C -0.574 174.863 175.510 -0.122 0.000 1.184 330 N CA 0.062 53.153 53.050 0.067 0.000 0.888 330 N CB 1.109 39.615 38.487 0.033 0.000 1.038 330 N HN 0.488 nan 8.380 nan 0.000 0.517 331 G N -1.217 107.404 108.800 -0.298 0.000 2.634 331 G HA2 0.476 4.435 3.960 -0.003 0.000 0.309 331 G HA3 0.476 4.435 3.960 -0.003 0.000 0.309 331 G C -1.776 172.779 174.900 -0.575 0.000 1.299 331 G CA -0.722 44.065 45.100 -0.521 0.000 0.798 331 G HN 0.025 nan 8.290 nan 0.000 0.490 332 F N -0.172 119.795 119.950 0.028 0.000 2.493 332 F HA 0.524 5.049 4.527 -0.003 0.000 0.329 332 F C -0.770 175.089 175.800 0.099 0.000 1.126 332 F CA -0.675 57.367 58.000 0.071 0.000 0.937 332 F CB 2.530 41.600 39.000 0.118 0.000 1.146 332 F HN 0.285 nan 8.300 nan 0.000 0.442 333 F N 3.246 123.217 119.950 0.034 0.000 2.344 333 F HA 0.584 5.110 4.527 -0.003 0.000 0.344 333 F C 0.426 176.047 175.800 -0.298 0.000 1.140 333 F CA -0.992 56.924 58.000 -0.141 0.000 1.256 333 F CB 0.005 38.929 39.000 -0.127 0.000 1.573 333 F HN 0.449 nan 8.300 nan 0.000 0.547 334 G N 2.656 110.929 108.800 -0.878 0.000 2.400 334 G HA2 0.453 4.412 3.960 -0.003 0.000 0.301 334 G HA3 0.453 4.412 3.960 -0.003 0.000 0.301 334 G C -0.876 173.218 174.900 -1.344 0.000 1.154 334 G CA -0.611 43.777 45.100 -1.187 0.000 0.852 334 G HN 0.245 nan 8.290 nan 0.000 0.511 335 V N 1.729 121.229 119.914 -0.690 0.000 2.529 335 V HA 0.249 4.367 4.120 -0.003 0.000 0.292 335 V C 1.375 177.155 176.094 -0.523 0.000 1.028 335 V CA 0.778 62.780 62.300 -0.497 0.000 1.074 335 V CB 0.872 32.545 31.823 -0.250 0.000 0.958 335 V HN 0.980 nan 8.190 nan 0.000 0.481 336 A N 7.491 129.966 122.820 -0.575 0.000 1.887 336 A HA 0.267 4.585 4.320 -0.003 0.000 0.212 336 A C -1.499 175.373 177.584 -1.187 0.000 1.198 336 A CA 0.296 51.822 52.037 -0.852 0.000 0.628 336 A CB -0.857 17.554 19.000 -0.981 0.000 0.847 336 A HN 0.710 nan 8.150 nan 0.000 0.449 337 P HA 0.274 nan 4.420 nan 0.000 0.264 337 P C 0.753 177.925 177.300 -0.213 0.000 1.193 337 P CA 1.980 64.836 63.100 -0.407 0.000 0.763 337 P CB 0.519 32.105 31.700 -0.191 0.000 0.810 338 G N 1.629 110.429 108.800 0.000 0.000 2.194 338 G HA2 -0.190 3.768 3.960 -0.003 0.000 0.236 338 G HA3 -0.190 3.768 3.960 -0.003 0.000 0.236 338 G C 0.171 175.122 174.900 0.084 0.000 0.987 338 G CA -0.168 44.969 45.100 0.061 0.000 0.635 338 G HN 0.570 nan 8.290 nan 0.000 0.520 339 T N 1.819 116.450 114.554 0.129 0.000 2.749 339 T HA 0.627 4.975 4.350 -0.003 0.000 0.295 339 T C 0.313 175.214 174.700 0.335 0.000 0.936 339 T CA 0.674 62.897 62.100 0.205 0.000 1.060 339 T CB 1.410 70.367 68.868 0.149 0.000 0.904 339 T HN 1.382 nan 8.240 nan 0.000 0.500 340 S N 1.824 117.575 115.700 0.085 0.000 2.638 340 S HA 0.444 4.912 4.470 -0.003 0.000 0.274 340 S C 1.011 175.567 174.600 -0.073 0.000 1.157 340 S CA -0.839 57.360 58.200 -0.002 0.000 0.826 340 S CB 0.821 63.984 63.200 -0.062 0.000 1.139 340 S HN 0.175 nan 8.310 nan 0.000 0.474 341 V N 2.040 121.903 119.914 -0.085 0.000 2.324 341 V HA -0.191 3.928 4.120 -0.003 0.000 0.250 341 V C 2.600 178.615 176.094 -0.132 0.000 1.060 341 V CA 2.318 64.562 62.300 -0.093 0.000 1.042 341 V CB -1.016 30.760 31.823 -0.079 0.000 0.650 341 V HN 0.869 nan 8.190 nan 0.000 0.450 342 K N 0.239 120.538 120.400 -0.169 0.000 2.025 342 K HA -0.143 4.175 4.320 -0.003 0.000 0.207 342 K C 2.268 178.630 176.600 -0.398 0.000 1.049 342 K CA 1.952 58.098 56.287 -0.235 0.000 0.933 342 K CB -0.544 31.820 32.500 -0.226 0.000 0.714 342 K HN 0.707 nan 8.250 nan 0.000 0.438 343 T N -1.312 112.929 114.554 -0.521 0.000 2.985 343 T HA -0.052 4.297 4.350 -0.003 0.000 0.266 343 T C 0.926 175.420 174.700 -0.343 0.000 1.076 343 T CA 0.743 62.354 62.100 -0.816 0.000 1.135 343 T CB 0.068 68.481 68.868 -0.758 0.000 0.890 343 T HN -0.023 nan 8.240 nan 0.000 0.480 344 N N 1.049 119.632 118.700 -0.196 0.000 2.884 344 N HA 0.216 4.954 4.740 -0.003 0.000 0.211 344 N C -2.582 172.872 175.510 -0.095 0.000 1.442 344 N CA -1.421 51.566 53.050 -0.105 0.000 0.757 344 N CB 1.484 39.936 38.487 -0.058 0.000 1.461 344 N HN 0.017 nan 8.380 nan 0.000 0.557 345 P HA -0.092 nan 4.420 nan 0.000 0.216 345 P C 0.821 178.075 177.300 -0.078 0.000 1.150 345 P CA 1.042 64.093 63.100 -0.081 0.000 0.837 345 P CB 0.565 32.220 31.700 -0.074 0.000 0.786 346 N N 0.292 118.943 118.700 -0.082 0.000 2.188 346 N HA -0.091 4.647 4.740 -0.003 0.000 0.184 346 N C 1.931 177.368 175.510 -0.122 0.000 1.018 346 N CA 1.469 54.466 53.050 -0.088 0.000 0.858 346 N CB -0.836 37.600 38.487 -0.085 0.000 0.989 346 N HN 0.132 nan 8.380 nan 0.000 0.426 347 A N 1.590 124.325 122.820 -0.142 0.000 1.898 347 A HA -0.055 4.263 4.320 -0.003 0.000 0.216 347 A C 2.151 179.599 177.584 -0.225 0.000 1.181 347 A CA 0.743 52.655 52.037 -0.208 0.000 0.620 347 A CB -0.397 18.503 19.000 -0.168 0.000 0.819 347 A HN 0.075 nan 8.150 nan 0.000 0.442 348 I N 0.203 120.693 120.570 -0.133 0.000 2.163 348 I HA -0.256 3.912 4.170 -0.003 0.000 0.243 348 I C 2.260 178.317 176.117 -0.100 0.000 1.085 348 I CA 1.815 63.059 61.300 -0.093 0.000 1.347 348 I CB -1.162 36.806 38.000 -0.052 0.000 1.044 348 I HN 0.382 nan 8.210 nan 0.000 0.408 349 K N -0.016 120.331 120.400 -0.088 0.000 2.097 349 K HA -0.120 4.199 4.320 -0.003 0.000 0.205 349 K C 2.006 178.562 176.600 -0.074 0.000 1.050 349 K CA 1.742 57.990 56.287 -0.065 0.000 0.938 349 K CB -0.266 32.204 32.500 -0.050 0.000 0.718 349 K HN 0.294 nan 8.250 nan 0.000 0.442 350 T N 2.110 116.603 114.554 -0.102 0.000 2.759 350 T HA -0.118 4.231 4.350 -0.003 0.000 0.269 350 T C 1.668 176.304 174.700 -0.106 0.000 1.042 350 T CA 1.382 63.431 62.100 -0.085 0.000 1.140 350 T CB -0.244 68.578 68.868 -0.078 0.000 0.864 350 T HN 0.402 nan 8.240 nan 0.000 0.455 351 I N -1.151 119.311 120.570 -0.180 0.000 3.806 351 I HA 0.241 4.410 4.170 -0.003 0.000 0.321 351 I C 1.395 177.456 176.117 -0.093 0.000 1.315 351 I CA 0.002 61.195 61.300 -0.178 0.000 1.148 351 I CB -0.162 37.647 38.000 -0.318 0.000 1.028 351 I HN -0.076 nan 8.210 nan 0.000 0.415 352 Q N 1.919 121.671 119.800 -0.079 0.000 2.488 352 Q HA 0.178 4.516 4.340 -0.003 0.000 0.211 352 Q C 0.044 176.047 176.000 0.004 0.000 0.967 352 Q CA 0.794 56.560 55.803 -0.060 0.000 0.926 352 Q CB 0.098 28.839 28.738 0.004 0.000 0.992 352 Q HN 0.626 nan 8.270 nan 0.000 0.506 353 K N 0.190 120.596 120.400 0.011 0.000 2.532 353 K HA 0.197 4.516 4.320 -0.003 0.000 0.265 353 K C -0.811 175.829 176.600 0.067 0.000 0.948 353 K CA -0.707 55.615 56.287 0.059 0.000 0.842 353 K CB 1.278 33.806 32.500 0.048 0.000 1.392 353 K HN -0.111 nan 8.250 nan 0.000 0.436 354 N N 1.343 120.112 118.700 0.115 0.000 2.702 354 N HA -0.175 4.564 4.740 -0.003 0.000 0.261 354 N C -1.239 174.331 175.510 0.099 0.000 0.965 354 N CA 1.258 54.388 53.050 0.133 0.000 0.795 354 N CB -0.948 37.592 38.487 0.088 0.000 0.909 354 N HN 0.496 nan 8.380 nan 0.000 0.546 355 T N 0.664 115.289 114.554 0.119 0.000 2.876 355 T HA 0.634 4.982 4.350 -0.003 0.000 0.289 355 T C 0.628 175.358 174.700 0.051 0.000 1.014 355 T CA -0.520 61.568 62.100 -0.019 0.000 0.986 355 T CB 1.907 70.641 68.868 -0.223 0.000 1.021 355 T HN 0.074 nan 8.240 nan 0.000 0.458 356 I N 2.999 123.546 120.570 -0.038 0.000 2.339 356 I HA 0.432 4.600 4.170 -0.003 0.000 0.290 356 I C -0.893 175.200 176.117 -0.041 0.000 0.994 356 I CA -0.606 60.757 61.300 0.106 0.000 1.191 356 I CB 0.834 38.891 38.000 0.095 0.000 1.343 356 I HN 0.488 nan 8.210 nan 0.000 0.458 357 F N 3.478 123.582 119.950 0.255 0.000 2.421 357 F HA 0.444 4.970 4.527 -0.002 0.000 0.337 357 F C 0.504 176.437 175.800 0.221 0.000 1.105 357 F CA -0.471 57.661 58.000 0.220 0.000 1.049 357 F CB 1.874 41.017 39.000 0.238 0.000 1.139 357 F HN 0.239 nan 8.300 nan 0.000 0.479 358 T N 3.652 118.386 114.554 0.299 0.000 2.791 358 T HA 0.242 4.590 4.350 -0.003 0.000 0.288 358 T C -0.232 174.535 174.700 0.112 0.000 0.999 358 T CA -0.677 61.549 62.100 0.210 0.000 0.952 358 T CB 0.473 69.461 68.868 0.200 0.000 0.938 358 T HN 0.626 nan 8.240 nan 0.000 0.444 359 N N 0.502 119.276 118.700 0.125 0.000 2.776 359 N HA -0.135 4.603 4.740 -0.003 0.000 0.250 359 N C 0.154 175.744 175.510 0.134 0.000 1.112 359 N CA 1.019 54.142 53.050 0.123 0.000 0.733 359 N CB -1.770 36.667 38.487 -0.084 0.000 1.097 359 N HN 0.645 nan 8.380 nan 0.000 0.558 360 V N -3.035 117.006 119.914 0.212 0.000 3.369 360 V HA 0.931 5.050 4.120 -0.003 0.000 0.309 360 V C 0.981 177.214 176.094 0.231 0.000 1.069 360 V CA -0.361 62.082 62.300 0.238 0.000 1.042 360 V CB 1.514 33.557 31.823 0.367 0.000 1.192 360 V HN 0.267 nan 8.190 nan 0.000 0.447 361 A N 0.425 123.356 122.820 0.184 0.000 2.264 361 A HA 0.682 5.000 4.320 -0.003 0.000 0.304 361 A C -0.044 177.588 177.584 0.081 0.000 1.100 361 A CA -0.496 51.608 52.037 0.112 0.000 0.839 361 A CB 0.734 19.738 19.000 0.007 0.000 1.121 361 A HN 1.059 nan 8.150 nan 0.000 0.496 362 E N 0.451 120.677 120.200 0.042 0.000 2.218 362 E HA 0.433 4.781 4.350 -0.003 0.000 0.263 362 E C -0.243 176.337 176.600 -0.034 0.000 0.879 362 E CA -0.551 55.855 56.400 0.011 0.000 0.762 362 E CB 1.143 30.860 29.700 0.027 0.000 1.166 362 E HN 0.799 nan 8.360 nan 0.000 0.415 363 T N 1.028 115.540 114.554 -0.070 0.000 2.813 363 T HA 0.038 4.386 4.350 -0.003 0.000 0.297 363 T C 1.366 176.012 174.700 -0.090 0.000 1.036 363 T CA 0.023 62.052 62.100 -0.119 0.000 1.044 363 T CB 1.267 70.043 68.868 -0.152 0.000 0.993 363 T HN 0.458 nan 8.240 nan 0.000 0.535 364 S N -0.185 115.462 115.700 -0.089 0.000 2.481 364 S HA -0.092 4.376 4.470 -0.003 0.000 0.231 364 S C 1.071 175.622 174.600 -0.082 0.000 0.996 364 S CA 0.616 58.774 58.200 -0.069 0.000 0.942 364 S CB -0.645 62.521 63.200 -0.057 0.000 0.768 364 S HN 0.905 nan 8.310 nan 0.000 0.520 365 D N 0.606 120.943 120.400 -0.105 0.000 2.319 365 D HA 0.297 4.936 4.640 -0.003 0.000 0.230 365 D C 1.208 177.412 176.300 -0.160 0.000 1.094 365 D CA 0.328 54.255 54.000 -0.123 0.000 0.856 365 D CB -0.785 39.936 40.800 -0.130 0.000 0.915 365 D HN 0.483 nan 8.370 nan 0.000 0.517 366 G N -0.799 107.917 108.800 -0.139 0.000 2.182 366 G HA2 -0.098 3.860 3.960 -0.003 0.000 0.248 366 G HA3 -0.098 3.860 3.960 -0.003 0.000 0.248 366 G C 0.521 175.293 174.900 -0.213 0.000 1.042 366 G CA -0.081 44.929 45.100 -0.150 0.000 0.775 366 G HN 0.787 nan 8.290 nan 0.000 0.501 367 G N -1.627 107.060 108.800 -0.188 0.000 2.557 367 G HA2 0.895 4.853 3.960 -0.003 0.000 0.302 367 G HA3 0.895 4.853 3.960 -0.003 0.000 0.302 367 G C 0.333 175.237 174.900 0.006 0.000 1.311 367 G CA 0.128 45.137 45.100 -0.152 0.000 1.030 367 G HN 1.555 nan 8.290 nan 0.000 0.509 368 V N -2.886 117.051 119.914 0.037 0.000 2.975 368 V HA 0.858 4.977 4.120 -0.003 0.000 0.318 368 V C -1.049 174.932 176.094 -0.188 0.000 1.077 368 V CA -1.159 61.049 62.300 -0.153 0.000 1.000 368 V CB 1.600 33.139 31.823 -0.473 0.000 1.066 368 V HN 0.690 nan 8.190 nan 0.000 0.452 369 Y N 2.023 122.110 120.300 -0.355 0.000 2.552 369 Y HA 0.756 5.305 4.550 -0.002 0.000 0.337 369 Y C -1.341 174.436 175.900 -0.205 0.000 1.094 369 Y CA -0.819 57.013 58.100 -0.448 0.000 1.028 369 Y CB 2.179 40.470 38.460 -0.283 0.000 1.321 369 Y HN 1.132 nan 8.280 nan 0.000 0.456 370 W N 1.278 122.348 121.300 -0.384 0.000 3.057 370 W HA 0.609 5.268 4.660 -0.003 0.000 0.328 370 W C -1.617 174.727 176.519 -0.291 0.000 1.232 370 W CA -1.112 56.083 57.345 -0.251 0.000 1.187 370 W CB 0.200 29.566 29.460 -0.158 0.000 1.417 370 W HN 0.353 nan 8.180 nan 0.000 0.569 371 E N 1.195 121.488 120.200 0.155 0.000 2.480 371 E HA 0.401 4.750 4.350 -0.003 0.000 0.258 371 E C 1.117 177.823 176.600 0.176 0.000 0.984 371 E CA 2.211 58.677 56.400 0.110 0.000 0.930 371 E CB 0.163 29.919 29.700 0.094 0.000 0.936 371 E HN 1.235 nan 8.360 nan 0.000 0.466 372 G N 3.151 111.999 108.800 0.079 0.000 2.147 372 G HA2 -0.319 3.640 3.960 -0.003 0.000 0.244 372 G HA3 -0.319 3.640 3.960 -0.003 0.000 0.244 372 G C 0.729 175.664 174.900 0.058 0.000 1.005 372 G CA 0.337 45.485 45.100 0.080 0.000 0.713 372 G HN 0.628 nan 8.290 nan 0.000 0.515 373 I N -0.092 120.380 120.570 -0.163 0.000 2.761 373 I HA 0.112 4.281 4.170 -0.003 0.000 0.261 373 I C 1.270 177.230 176.117 -0.262 0.000 1.198 373 I CA 1.146 62.221 61.300 -0.375 0.000 1.482 373 I CB 0.076 37.373 38.000 -1.172 0.000 1.100 373 I HN 0.268 nan 8.210 nan 0.000 0.445 374 D N 2.747 123.031 120.400 -0.194 0.000 2.697 374 D HA -0.279 4.359 4.640 -0.003 0.000 0.238 374 D C -0.173 176.073 176.300 -0.091 0.000 1.152 374 D CA 0.849 54.793 54.000 -0.093 0.000 0.666 374 D CB -1.028 39.732 40.800 -0.065 0.000 1.037 374 D HN 0.627 nan 8.370 nan 0.000 0.423 375 E N 0.576 120.723 120.200 -0.089 0.000 2.373 375 E HA 0.348 4.696 4.350 -0.003 0.000 0.251 375 E C -2.436 174.221 176.600 0.094 0.000 0.923 375 E CA -1.919 54.464 56.400 -0.029 0.000 0.798 375 E CB 1.159 30.806 29.700 -0.090 0.000 1.303 375 E HN 0.101 nan 8.360 nan 0.000 0.412 376 P HA 0.017 nan 4.420 nan 0.000 0.266 376 P C -0.612 176.714 177.300 0.043 0.000 1.195 376 P CA 0.097 63.237 63.100 0.067 0.000 0.768 376 P CB 0.565 32.282 31.700 0.029 0.000 0.838 377 L N 1.545 122.773 121.223 0.008 0.000 2.395 377 L HA 0.449 4.788 4.340 -0.003 0.000 0.269 377 L C 1.006 177.853 176.870 -0.039 0.000 1.133 377 L CA -0.798 54.011 54.840 -0.051 0.000 0.812 377 L CB 0.567 42.553 42.059 -0.122 0.000 1.125 377 L HN 0.425 nan 8.230 nan 0.000 0.452 378 A N 1.897 124.688 122.820 -0.047 0.000 2.327 378 A HA 0.326 4.645 4.320 -0.003 0.000 0.255 378 A C 0.482 178.041 177.584 -0.041 0.000 1.099 378 A CA -0.246 51.767 52.037 -0.040 0.000 0.801 378 A CB 0.290 19.264 19.000 -0.043 0.000 1.062 378 A HN 0.803 nan 8.150 nan 0.000 0.496 379 S N 0.091 115.771 115.700 -0.034 0.000 2.593 379 S HA 0.367 4.835 4.470 -0.003 0.000 0.300 379 S C 1.156 175.734 174.600 -0.038 0.000 1.267 379 S CA 0.413 58.593 58.200 -0.032 0.000 1.065 379 S CB -0.210 62.974 63.200 -0.027 0.000 0.807 379 S HN 2.625 nan 8.310 nan 0.000 0.499 380 G N 1.762 110.540 108.800 -0.038 0.000 2.155 380 G HA2 -0.227 3.731 3.960 -0.003 0.000 0.257 380 G HA3 -0.227 3.731 3.960 -0.003 0.000 0.257 380 G C 0.056 174.926 174.900 -0.050 0.000 0.983 380 G CA 0.050 45.126 45.100 -0.040 0.000 0.676 380 G HN 1.252 nan 8.290 nan 0.000 0.528 381 V N 1.856 121.732 119.914 -0.063 0.000 2.498 381 V HA 0.660 4.778 4.120 -0.003 0.000 0.279 381 V C 0.967 177.007 176.094 -0.090 0.000 1.048 381 V CA 0.415 62.665 62.300 -0.084 0.000 0.967 381 V CB 1.358 33.117 31.823 -0.107 0.000 0.988 381 V HN 0.630 nan 8.190 nan 0.000 0.473 382 T N 3.104 117.610 114.554 -0.081 0.000 2.949 382 T HA 0.796 5.145 4.350 -0.003 0.000 0.287 382 T C -0.550 174.105 174.700 -0.076 0.000 1.034 382 T CA -0.755 61.309 62.100 -0.060 0.000 1.018 382 T CB 1.946 70.798 68.868 -0.026 0.000 1.135 382 T HN 0.307 nan 8.240 nan 0.000 0.532 383 I N 1.097 121.656 120.570 -0.017 0.000 2.436 383 I HA 0.329 4.498 4.170 -0.003 0.000 0.289 383 I C -0.261 175.899 176.117 0.072 0.000 1.010 383 I CA -0.723 60.569 61.300 -0.013 0.000 1.098 383 I CB 2.203 40.200 38.000 -0.004 0.000 1.266 383 I HN 0.654 nan 8.210 nan 0.000 0.434 384 T N 4.651 119.225 114.554 0.033 0.000 2.744 384 T HA 0.248 4.597 4.350 -0.003 0.000 0.291 384 T C 0.359 175.090 174.700 0.051 0.000 0.957 384 T CA -0.512 61.622 62.100 0.057 0.000 1.002 384 T CB 1.005 69.894 68.868 0.035 0.000 0.919 384 T HN 0.743 nan 8.240 nan 0.000 0.468 385 S N 3.897 119.640 115.700 0.073 0.000 2.626 385 S HA 0.134 4.603 4.470 -0.003 0.000 0.257 385 S C 1.525 176.172 174.600 0.079 0.000 1.288 385 S CA -0.877 57.340 58.200 0.029 0.000 0.980 385 S CB 0.330 63.563 63.200 0.055 0.000 0.975 385 S HN 0.899 nan 8.310 nan 0.000 0.577 386 W N 0.763 122.052 121.300 -0.018 0.000 2.721 386 W HA 0.114 4.773 4.660 -0.002 0.000 0.245 386 W C 0.369 176.900 176.519 0.020 0.000 1.276 386 W CA 0.471 57.824 57.345 0.013 0.000 1.342 386 W CB -0.819 28.655 29.460 0.025 0.000 1.135 386 W HN 0.713 nan 8.180 nan 0.000 0.654 387 K N 1.003 121.028 120.400 -0.625 0.000 2.437 387 K HA 0.005 4.324 4.320 -0.003 0.000 0.205 387 K C 0.336 176.804 176.600 -0.220 0.000 1.026 387 K CA -0.265 55.692 56.287 -0.549 0.000 1.153 387 K CB -0.648 31.445 32.500 -0.679 0.000 0.863 387 K HN -0.125 nan 8.250 nan 0.000 0.502 388 N N 2.038 120.674 118.700 -0.106 0.000 2.758 388 N HA -0.145 4.594 4.740 -0.003 0.000 0.248 388 N C -1.418 174.078 175.510 -0.024 0.000 1.076 388 N CA 0.894 53.924 53.050 -0.034 0.000 0.696 388 N CB -0.861 37.611 38.487 -0.026 0.000 0.979 388 N HN 0.486 nan 8.380 nan 0.000 0.550 389 K N -0.016 120.379 120.400 -0.008 0.000 2.435 389 K HA 0.341 4.660 4.320 -0.003 0.000 0.251 389 K C -0.207 176.441 176.600 0.080 0.000 0.954 389 K CA -0.870 55.430 56.287 0.022 0.000 0.820 389 K CB 1.725 34.233 32.500 0.013 0.000 1.292 389 K HN 0.111 nan 8.250 nan 0.000 0.436 390 E N 0.963 121.206 120.200 0.072 0.000 2.398 390 E HA 0.068 4.416 4.350 -0.003 0.000 0.263 390 E C -1.537 175.173 176.600 0.182 0.000 1.046 390 E CA 0.153 56.614 56.400 0.102 0.000 0.908 390 E CB 0.587 30.316 29.700 0.048 0.000 0.963 390 E HN 0.426 nan 8.360 nan 0.000 0.431 391 W N 3.283 124.575 121.300 -0.014 0.000 3.022 391 W HA 0.506 5.165 4.660 -0.002 0.000 0.335 391 W C -1.269 175.247 176.519 -0.006 0.000 1.133 391 W CA -0.371 56.976 57.345 0.003 0.000 1.219 391 W CB 1.438 30.918 29.460 0.033 0.000 1.409 391 W HN 0.626 nan 8.180 nan 0.000 0.507 392 S N 1.200 116.449 115.700 -0.751 0.000 2.661 392 S HA 0.394 4.862 4.470 -0.003 0.000 0.285 392 S C 0.401 174.098 174.600 -1.506 0.000 1.138 392 S CA -0.106 57.648 58.200 -0.744 0.000 0.855 392 S CB 1.346 64.328 63.200 -0.362 0.000 1.136 392 S HN 0.749 nan 8.310 nan 0.000 0.484 393 S N 0.148 115.359 115.700 -0.816 0.000 2.500 393 S HA -0.087 4.381 4.470 -0.003 0.000 0.239 393 S C 0.941 175.313 174.600 -0.381 0.000 0.989 393 S CA 0.985 58.870 58.200 -0.525 0.000 0.951 393 S CB -0.894 62.249 63.200 -0.096 0.000 0.759 393 S HN 0.874 nan 8.310 nan 0.000 0.523 394 E N 1.039 121.001 120.200 -0.396 0.000 2.479 394 E HA 0.079 4.427 4.350 -0.003 0.000 0.193 394 E C 0.259 176.719 176.600 -0.232 0.000 1.049 394 E CA 0.190 56.446 56.400 -0.240 0.000 0.870 394 E CB -0.121 29.473 29.700 -0.177 0.000 0.944 394 E HN 0.390 nan 8.360 nan 0.000 0.492 395 D N 1.067 121.256 120.400 -0.352 0.000 2.347 395 D HA 0.017 4.656 4.640 -0.003 0.000 0.213 395 D C 1.428 177.675 176.300 -0.090 0.000 0.985 395 D CA 0.965 54.824 54.000 -0.234 0.000 0.879 395 D CB 0.240 40.846 40.800 -0.324 0.000 0.919 395 D HN 0.380 nan 8.370 nan 0.000 0.526 396 G N 1.378 110.147 108.800 -0.053 0.000 2.143 396 G HA2 -0.275 3.684 3.960 -0.003 0.000 0.248 396 G HA3 -0.275 3.684 3.960 -0.003 0.000 0.248 396 G C -0.008 174.954 174.900 0.103 0.000 0.991 396 G CA 0.532 45.648 45.100 0.027 0.000 0.689 396 G HN 0.529 nan 8.290 nan 0.000 0.522 397 E N -0.295 120.022 120.200 0.194 0.000 2.356 397 E HA 0.654 5.002 4.350 -0.003 0.000 0.275 397 E C -3.025 173.895 176.600 0.533 0.000 0.904 397 E CA -2.456 54.125 56.400 0.302 0.000 0.757 397 E CB 2.632 32.500 29.700 0.279 0.000 1.232 397 E HN 0.103 nan 8.360 nan 0.000 0.442 398 P HA -0.033 nan 4.420 nan 0.000 0.270 398 P C 1.059 178.504 177.300 0.240 0.000 1.223 398 P CA -0.330 62.972 63.100 0.336 0.000 0.785 398 P CB 0.812 32.590 31.700 0.129 0.000 0.923 399 C N 0.091 119.182 119.300 -0.348 0.000 2.485 399 C HA 0.478 4.936 4.460 -0.003 0.000 0.277 399 C C 1.104 176.056 174.990 -0.064 0.000 1.376 399 C CA 0.353 58.848 59.018 -0.873 0.000 1.759 399 C CB -1.287 25.450 27.740 -1.671 0.000 1.970 399 C HN 0.635 nan 8.230 nan 0.000 0.509 400 A N 0.064 122.856 122.820 -0.047 0.000 2.380 400 A HA 0.580 4.899 4.320 -0.003 0.000 0.315 400 A C -0.501 176.795 177.584 -0.480 0.000 1.101 400 A CA -0.366 51.603 52.037 -0.113 0.000 0.771 400 A CB 0.163 19.176 19.000 0.021 0.000 1.287 400 A HN 0.586 nan 8.150 nan 0.000 0.436 401 H N 1.904 120.302 119.070 -1.121 0.000 2.815 401 H HA 0.124 4.679 4.556 -0.003 0.000 0.350 401 H C -1.802 173.207 175.328 -0.531 0.000 1.080 401 H CA -0.957 54.400 56.048 -1.151 0.000 1.433 401 H CB 1.330 30.161 29.762 -1.553 0.000 1.432 401 H HN 0.264 nan 8.280 nan 0.000 0.592 402 P HA -0.118 nan 4.420 nan 0.000 0.219 402 P C 0.706 177.870 177.300 -0.227 0.000 1.146 402 P CA 1.312 64.165 63.100 -0.411 0.000 0.808 402 P CB 0.287 31.733 31.700 -0.424 0.000 0.779 403 N N -1.083 117.607 118.700 -0.017 0.000 2.251 403 N HA 0.015 4.754 4.740 -0.003 0.000 0.217 403 N C -0.400 175.096 175.510 -0.023 0.000 1.124 403 N CA -0.168 52.908 53.050 0.044 0.000 0.843 403 N CB -0.232 38.310 38.487 0.092 0.000 1.024 403 N HN -0.016 nan 8.380 nan 0.000 0.501 404 S N -0.195 115.445 115.700 -0.099 0.000 2.573 404 S HA 0.283 4.751 4.470 -0.003 0.000 0.277 404 S C 0.157 174.607 174.600 -0.250 0.000 1.346 404 S CA -0.323 57.784 58.200 -0.156 0.000 1.034 404 S CB 1.170 64.283 63.200 -0.146 0.000 0.879 404 S HN 0.108 nan 8.310 nan 0.000 0.528 405 R N 0.600 120.949 120.500 -0.252 0.000 2.837 405 R HA 0.549 4.887 4.340 -0.003 0.000 0.271 405 R C -1.149 174.946 176.300 -0.342 0.000 0.993 405 R CA -0.688 55.098 56.100 -0.523 0.000 0.931 405 R CB 1.473 31.240 30.300 -0.888 0.000 1.206 405 R HN 0.785 nan 8.270 nan 0.000 0.474 406 F N -1.351 118.346 119.950 -0.422 0.000 2.508 406 F HA 0.642 5.167 4.527 -0.003 0.000 0.325 406 F C -0.387 175.167 175.800 -0.409 0.000 1.090 406 F CA -1.624 56.064 58.000 -0.520 0.000 0.945 406 F CB 1.214 39.867 39.000 -0.578 0.000 1.156 406 F HN 0.342 nan 8.300 nan 0.000 0.463 407 C N 3.550 122.799 119.300 -0.085 0.000 2.321 407 C HA 0.787 5.246 4.460 -0.003 0.000 0.323 407 C C -0.541 174.469 174.990 0.033 0.000 1.191 407 C CA 0.134 59.183 59.018 0.051 0.000 1.455 407 C CB -0.188 27.606 27.740 0.090 0.000 2.083 407 C HN 1.098 nan 8.230 nan 0.000 0.442 408 T N 6.835 121.459 114.554 0.116 0.000 2.912 408 T HA 0.623 4.972 4.350 -0.003 0.000 0.299 408 T C -2.964 171.729 174.700 -0.011 0.000 1.052 408 T CA -1.053 61.077 62.100 0.051 0.000 0.996 408 T CB 1.867 70.775 68.868 0.066 0.000 1.070 408 T HN 0.487 nan 8.240 nan 0.000 0.465 409 P HA 0.241 nan 4.420 nan 0.000 0.267 409 P C 0.143 177.298 177.300 -0.242 0.000 1.205 409 P CA -0.108 62.916 63.100 -0.127 0.000 0.765 409 P CB 0.528 32.193 31.700 -0.058 0.000 0.828 410 A N 3.591 126.088 122.820 -0.539 0.000 1.972 410 A HA -0.171 4.147 4.320 -0.003 0.000 0.219 410 A C 2.093 179.329 177.584 -0.580 0.000 1.169 410 A CA 2.034 53.521 52.037 -0.916 0.000 0.635 410 A CB -1.510 16.616 19.000 -1.457 0.000 0.810 410 A HN 0.576 nan 8.150 nan 0.000 0.446 411 S N -0.901 114.570 115.700 -0.381 0.000 2.537 411 S HA -0.167 4.302 4.470 -0.003 0.000 0.240 411 S C 1.583 176.131 174.600 -0.087 0.000 0.981 411 S CA 1.393 59.493 58.200 -0.167 0.000 0.948 411 S CB -0.335 62.896 63.200 0.052 0.000 0.759 411 S HN 0.690 nan 8.310 nan 0.000 0.531 412 Q N -0.348 119.408 119.800 -0.075 0.000 2.384 412 Q HA 0.238 4.576 4.340 -0.003 0.000 0.207 412 Q C 0.605 176.596 176.000 -0.015 0.000 0.904 412 Q CA -0.120 55.668 55.803 -0.025 0.000 0.933 412 Q CB 0.367 29.098 28.738 -0.013 0.000 1.077 412 Q HN 0.681 nan 8.270 nan 0.000 0.522 413 C N 2.353 121.653 119.300 0.000 0.000 2.633 413 C HA 0.094 4.552 4.460 -0.003 0.000 0.415 413 C C -1.159 173.815 174.990 -0.026 0.000 1.393 413 C CA -1.544 57.476 59.018 0.004 0.000 1.700 413 C CB 0.482 28.259 27.740 0.062 0.000 2.541 413 C HN 0.335 nan 8.230 nan 0.000 0.603 414 P HA -0.035 nan 4.420 nan 0.000 0.222 414 P C 0.602 177.896 177.300 -0.010 0.000 1.147 414 P CA 1.412 64.501 63.100 -0.017 0.000 0.790 414 P CB -0.188 31.499 31.700 -0.021 0.000 0.780 415 I N -4.869 115.692 120.570 -0.016 0.000 3.762 415 I HA 0.321 4.489 4.170 -0.003 0.000 0.333 415 I C 0.271 176.392 176.117 0.007 0.000 1.566 415 I CA -1.052 60.248 61.300 -0.000 0.000 1.129 415 I CB -0.262 37.736 38.000 -0.003 0.000 1.218 415 I HN -0.305 nan 8.210 nan 0.000 0.456 416 I N 2.729 123.286 120.570 -0.021 0.000 2.752 416 I HA -0.033 4.136 4.170 -0.003 0.000 0.289 416 I C 0.743 176.888 176.117 0.048 0.000 1.197 416 I CA 0.534 61.795 61.300 -0.065 0.000 1.432 416 I CB 0.152 37.996 38.000 -0.260 0.000 1.359 416 I HN 0.311 nan 8.210 nan 0.000 0.571 417 D N 5.935 126.416 120.400 0.134 0.000 2.424 417 D HA 0.037 4.676 4.640 -0.003 0.000 0.244 417 D C 0.793 177.283 176.300 0.317 0.000 1.134 417 D CA 0.441 54.584 54.000 0.239 0.000 0.881 417 D CB 1.454 42.456 40.800 0.337 0.000 1.191 417 D HN 0.756 nan 8.370 nan 0.000 0.445 418 A N 3.351 126.316 122.820 0.241 0.000 2.125 418 A HA -0.017 4.301 4.320 -0.003 0.000 0.219 418 A C 1.519 179.221 177.584 0.197 0.000 1.156 418 A CA 1.613 53.777 52.037 0.212 0.000 0.671 418 A CB -0.006 19.078 19.000 0.140 0.000 0.794 418 A HN 0.559 nan 8.150 nan 0.000 0.459 419 A N -0.836 122.117 122.820 0.222 0.000 2.535 419 A HA 0.307 4.626 4.320 -0.003 0.000 0.273 419 A C 1.363 179.000 177.584 0.088 0.000 1.267 419 A CA 0.201 52.304 52.037 0.110 0.000 0.940 419 A CB -0.709 18.341 19.000 0.084 0.000 1.101 419 A HN 0.922 nan 8.150 nan 0.000 0.521 420 W N 0.610 121.925 121.300 0.025 0.000 2.468 420 W HA -0.014 4.645 4.660 -0.002 0.000 0.262 420 W C -0.074 176.421 176.519 -0.040 0.000 1.241 420 W CA 1.315 58.661 57.345 0.002 0.000 1.232 420 W CB -0.287 29.192 29.460 0.033 0.000 1.124 420 W HN 0.498 nan 8.180 nan 0.000 0.597 421 E N 0.958 120.720 120.200 -0.730 0.000 2.693 421 E HA 0.011 4.359 4.350 -0.003 0.000 0.214 421 E C 0.348 176.719 176.600 -0.382 0.000 0.990 421 E CA -0.121 55.816 56.400 -0.770 0.000 1.047 421 E CB 0.581 29.673 29.700 -1.015 0.000 1.039 421 E HN -0.011 nan 8.360 nan 0.000 0.475 422 S N 2.149 117.703 115.700 -0.243 0.000 2.498 422 S HA 0.089 4.558 4.470 -0.003 0.000 0.281 422 S C -1.678 172.833 174.600 -0.149 0.000 1.265 422 S CA -1.259 56.847 58.200 -0.156 0.000 1.071 422 S CB 0.790 63.928 63.200 -0.103 0.000 0.894 422 S HN -0.132 nan 8.310 nan 0.000 0.491 423 P HA -0.099 nan 4.420 nan 0.000 0.222 423 P C 1.137 178.385 177.300 -0.086 0.000 1.147 423 P CA 0.834 63.869 63.100 -0.108 0.000 0.790 423 P CB 0.055 31.701 31.700 -0.091 0.000 0.780 424 E N -0.465 119.688 120.200 -0.079 0.000 2.216 424 E HA 0.092 4.441 4.350 -0.003 0.000 0.192 424 E C 1.242 177.799 176.600 -0.071 0.000 0.988 424 E CA 0.926 57.288 56.400 -0.063 0.000 0.834 424 E CB -0.763 28.908 29.700 -0.050 0.000 0.772 424 E HN 0.169 nan 8.360 nan 0.000 0.479 425 G N 0.877 109.619 108.800 -0.096 0.000 2.757 425 G HA2 -0.173 3.785 3.960 -0.003 0.000 0.638 425 G HA3 -0.173 3.785 3.960 -0.003 0.000 0.638 425 G C -0.226 174.574 174.900 -0.166 0.000 1.344 425 G CA -0.255 44.777 45.100 -0.113 0.000 0.855 425 G HN 0.605 nan 8.290 nan 0.000 0.537 426 V N -2.467 117.303 119.914 -0.240 0.000 2.555 426 V HA 0.861 4.980 4.120 -0.003 0.000 0.302 426 V C -2.100 173.855 176.094 -0.231 0.000 1.038 426 V CA -1.970 60.075 62.300 -0.423 0.000 0.887 426 V CB 2.235 33.392 31.823 -1.109 0.000 0.991 426 V HN 0.929 nan 8.190 nan 0.000 0.434 427 P HA 0.290 nan 4.420 nan 0.000 0.276 427 P C -0.552 176.808 177.300 0.101 0.000 1.264 427 P CA -0.021 63.084 63.100 0.008 0.000 0.769 427 P CB 0.847 32.525 31.700 -0.038 0.000 0.840 428 I N 4.197 124.833 120.570 0.109 0.000 2.416 428 I HA 0.124 4.293 4.170 -0.003 0.000 0.288 428 I C 1.442 177.659 176.117 0.166 0.000 1.051 428 I CA 0.129 61.520 61.300 0.153 0.000 1.375 428 I CB 0.256 38.333 38.000 0.129 0.000 1.407 428 I HN 0.439 nan 8.210 nan 0.000 0.516 429 E N 3.626 123.926 120.200 0.167 0.000 2.511 429 E HA 0.269 4.617 4.350 -0.003 0.000 0.209 429 E C 0.657 177.356 176.600 0.164 0.000 0.986 429 E CA -0.126 56.361 56.400 0.145 0.000 0.974 429 E CB 1.229 30.981 29.700 0.086 0.000 1.030 429 E HN 0.789 nan 8.360 nan 0.000 0.490 430 G N 1.270 110.183 108.800 0.188 0.000 2.753 430 G HA2 0.539 4.497 3.960 -0.003 0.000 0.295 430 G HA3 0.539 4.497 3.960 -0.003 0.000 0.295 430 G C -1.119 173.889 174.900 0.180 0.000 1.437 430 G CA -0.586 44.655 45.100 0.235 0.000 1.094 430 G HN -0.044 nan 8.290 nan 0.000 0.540 431 I N 2.353 122.988 120.570 0.109 0.000 2.378 431 I HA 0.435 4.604 4.170 -0.003 0.000 0.291 431 I C -0.407 175.585 176.117 -0.208 0.000 0.992 431 I CA -0.748 60.517 61.300 -0.058 0.000 1.154 431 I CB 1.933 39.875 38.000 -0.097 0.000 1.315 431 I HN 0.216 nan 8.210 nan 0.000 0.448 432 I N 6.292 126.723 120.570 -0.232 0.000 2.362 432 I HA 0.402 4.570 4.170 -0.003 0.000 0.289 432 I C -0.627 175.319 176.117 -0.286 0.000 0.994 432 I CA -0.326 60.860 61.300 -0.190 0.000 1.158 432 I CB 1.167 39.156 38.000 -0.020 0.000 1.315 432 I HN 0.357 nan 8.210 nan 0.000 0.451 433 F N 3.319 123.233 119.950 -0.060 0.000 2.483 433 F HA 0.827 5.352 4.527 -0.003 0.000 0.329 433 F C 0.930 176.551 175.800 -0.299 0.000 1.064 433 F CA -0.491 57.438 58.000 -0.119 0.000 0.986 433 F CB 2.153 41.056 39.000 -0.161 0.000 1.218 433 F HN 0.518 nan 8.300 nan 0.000 0.484 434 G N -0.262 108.523 108.800 -0.025 0.000 2.650 434 G HA2 0.663 4.621 3.960 -0.003 0.000 0.310 434 G HA3 0.663 4.621 3.960 -0.003 0.000 0.310 434 G C -1.194 173.537 174.900 -0.282 0.000 1.270 434 G CA -0.325 44.470 45.100 -0.509 0.000 0.810 434 G HN 1.059 nan 8.290 nan 0.000 0.493 435 G N -1.356 107.227 108.800 -0.362 0.000 2.325 435 G HA2 0.467 4.425 3.960 -0.003 0.000 0.297 435 G HA3 0.467 4.425 3.960 -0.003 0.000 0.297 435 G C -1.563 173.274 174.900 -0.105 0.000 1.448 435 G CA -0.987 44.014 45.100 -0.165 0.000 0.838 435 G HN 0.552 nan 8.290 nan 0.000 0.579 436 R N 1.031 121.486 120.500 -0.075 0.000 2.230 436 R HA 0.433 4.771 4.340 -0.003 0.000 0.337 436 R C -0.436 175.865 176.300 0.002 0.000 1.063 436 R CA -0.611 55.469 56.100 -0.033 0.000 0.935 436 R CB 0.740 30.861 30.300 -0.298 0.000 1.121 436 R HN 0.151 nan 8.270 nan 0.000 0.486 437 R N 3.791 124.335 120.500 0.072 0.000 2.320 437 R HA 0.192 4.530 4.340 -0.003 0.000 0.319 437 R C -1.870 174.476 176.300 0.077 0.000 0.969 437 R CA -2.379 53.751 56.100 0.050 0.000 0.857 437 R CB 1.427 31.756 30.300 0.048 0.000 1.160 437 R HN 0.393 nan 8.270 nan 0.000 0.491 438 P HA -0.085 nan 4.420 nan 0.000 0.220 438 P C -0.033 177.274 177.300 0.013 0.000 1.148 438 P CA 0.954 64.099 63.100 0.076 0.000 0.803 438 P CB 0.593 32.314 31.700 0.035 0.000 0.782 439 A N -2.050 120.750 122.820 -0.034 0.000 2.469 439 A HA 0.647 4.966 4.320 -0.003 0.000 0.299 439 A C 1.063 178.353 177.584 -0.491 0.000 1.098 439 A CA -0.010 51.926 52.037 -0.168 0.000 0.737 439 A CB 1.061 20.011 19.000 -0.083 0.000 1.312 439 A HN 0.189 nan 8.150 nan 0.000 0.414 440 G N -0.802 107.495 108.800 -0.837 0.000 2.480 440 G HA2 -0.207 3.751 3.960 -0.003 0.000 0.246 440 G HA3 -0.207 3.751 3.960 -0.003 0.000 0.246 440 G C 0.389 174.943 174.900 -0.577 0.000 1.073 440 G CA 0.585 44.760 45.100 -1.541 0.000 0.643 440 G HN 1.673 nan 8.290 nan 0.000 0.525 441 V N 3.603 123.372 119.914 -0.241 0.000 2.385 441 V HA 0.446 4.564 4.120 -0.003 0.000 0.269 441 V C -1.374 174.740 176.094 0.034 0.000 1.043 441 V CA -1.417 60.957 62.300 0.125 0.000 0.906 441 V CB 1.319 33.270 31.823 0.213 0.000 0.995 441 V HN 0.162 nan 8.190 nan 0.000 0.467 442 P HA -0.037 nan 4.420 nan 0.000 0.270 442 P C 0.865 177.997 177.300 -0.279 0.000 1.221 442 P CA -0.173 62.810 63.100 -0.195 0.000 0.788 442 P CB 0.582 32.242 31.700 -0.067 0.000 0.904 443 L N 2.959 123.750 121.223 -0.719 0.000 2.042 443 L HA -0.025 4.314 4.340 -0.003 0.000 0.210 443 L C 0.499 177.139 176.870 -0.384 0.000 1.076 443 L CA 2.038 56.492 54.840 -0.644 0.000 0.749 443 L CB -0.121 41.336 42.059 -1.004 0.000 0.893 443 L HN 0.212 nan 8.230 nan 0.000 0.432 444 V N -0.405 119.383 119.914 -0.210 0.000 2.852 444 V HA 0.426 4.545 4.120 -0.003 0.000 0.300 444 V C -1.693 174.560 176.094 0.265 0.000 1.205 444 V CA -0.615 61.695 62.300 0.015 0.000 0.940 444 V CB 1.797 33.630 31.823 0.016 0.000 1.047 444 V HN 0.358 nan 8.190 nan 0.000 0.429 445 Y N 2.610 123.067 120.300 0.262 0.000 2.581 445 Y HA 0.830 5.378 4.550 -0.003 0.000 0.345 445 Y C -0.737 175.471 175.900 0.513 0.000 1.036 445 Y CA -0.989 57.316 58.100 0.341 0.000 1.042 445 Y CB 1.726 40.304 38.460 0.196 0.000 1.289 445 Y HN 0.714 nan 8.280 nan 0.000 0.471 446 E N 2.153 122.780 120.200 0.711 0.000 2.179 446 E HA 0.700 5.048 4.350 -0.003 0.000 0.275 446 E C -0.769 176.061 176.600 0.383 0.000 0.945 446 E CA -1.093 55.613 56.400 0.510 0.000 0.792 446 E CB 1.648 31.726 29.700 0.630 0.000 1.125 446 E HN 1.019 nan 8.360 nan 0.000 0.397 447 A N 4.125 127.050 122.820 0.175 0.000 2.425 447 A HA 0.133 4.452 4.320 -0.003 0.000 0.242 447 A C 0.846 178.616 177.584 0.310 0.000 1.077 447 A CA -0.097 52.080 52.037 0.233 0.000 0.781 447 A CB 0.272 19.282 19.000 0.017 0.000 1.020 447 A HN 0.842 nan 8.150 nan 0.000 0.494 448 L N 0.878 122.370 121.223 0.449 0.000 2.446 448 L HA 0.114 4.452 4.340 -0.003 0.000 0.219 448 L C 0.874 177.868 176.870 0.206 0.000 1.116 448 L CA 1.048 55.956 54.840 0.113 0.000 0.844 448 L CB -0.432 41.522 42.059 -0.176 0.000 0.970 448 L HN 0.900 nan 8.230 nan 0.000 0.457 449 S N -3.671 112.193 115.700 0.273 0.000 2.595 449 S HA 0.027 4.496 4.470 -0.003 0.000 0.270 449 S C -0.125 174.660 174.600 0.309 0.000 1.145 449 S CA -0.918 57.442 58.200 0.267 0.000 0.825 449 S CB 0.203 63.535 63.200 0.221 0.000 1.107 449 S HN 0.221 nan 8.310 nan 0.000 0.461 450 W N 1.267 122.664 121.300 0.161 0.000 2.342 450 W HA -0.190 4.469 4.660 -0.001 0.000 0.297 450 W C 1.374 178.026 176.519 0.222 0.000 1.213 450 W CA 2.468 59.925 57.345 0.185 0.000 1.251 450 W CB -0.399 29.166 29.460 0.175 0.000 1.136 450 W HN 0.894 nan 8.180 nan 0.000 0.526 451 Q N -1.143 118.847 119.800 0.317 0.000 2.050 451 Q HA -0.240 4.098 4.340 -0.003 0.000 0.202 451 Q C 2.356 178.472 176.000 0.194 0.000 0.980 451 Q CA 2.147 58.086 55.803 0.228 0.000 0.840 451 Q CB -1.310 27.564 28.738 0.228 0.000 0.898 451 Q HN 0.477 nan 8.270 nan 0.000 0.424 452 H N -0.753 118.386 119.070 0.116 0.000 2.387 452 H HA -0.070 4.484 4.556 -0.003 0.000 0.299 452 H C 1.812 177.252 175.328 0.187 0.000 1.090 452 H CA 1.155 57.295 56.048 0.153 0.000 1.332 452 H CB 0.037 29.861 29.762 0.103 0.000 1.386 452 H HN 0.369 nan 8.280 nan 0.000 0.516 453 G N 0.414 109.179 108.800 -0.058 0.000 2.418 453 G HA2 -0.201 3.757 3.960 -0.003 0.000 0.217 453 G HA3 -0.201 3.757 3.960 -0.003 0.000 0.217 453 G C 1.864 176.658 174.900 -0.176 0.000 1.158 453 G CA 0.897 45.894 45.100 -0.171 0.000 0.771 453 G HN 0.335 nan 8.290 nan 0.000 0.545 454 V N 0.624 120.412 119.914 -0.209 0.000 2.343 454 V HA -0.164 3.955 4.120 -0.003 0.000 0.247 454 V C 2.352 178.416 176.094 -0.050 0.000 1.051 454 V CA 1.919 64.152 62.300 -0.112 0.000 1.036 454 V CB -0.653 31.183 31.823 0.022 0.000 0.654 454 V HN 0.441 nan 8.190 nan 0.000 0.451 455 F N 0.629 120.527 119.950 -0.086 0.000 2.171 455 F HA -0.148 4.377 4.527 -0.003 0.000 0.300 455 F C 2.140 177.867 175.800 -0.122 0.000 1.090 455 F CA 1.623 59.603 58.000 -0.034 0.000 1.293 455 F CB -0.419 38.614 39.000 0.055 0.000 1.013 455 F HN -0.037 nan 8.300 nan 0.000 0.486 456 V N 0.912 120.584 119.914 -0.404 0.000 2.295 456 V HA -0.254 3.864 4.120 -0.003 0.000 0.246 456 V C 2.827 178.508 176.094 -0.688 0.000 1.049 456 V CA 2.095 64.101 62.300 -0.489 0.000 1.024 456 V CB -1.682 30.017 31.823 -0.208 0.000 0.648 456 V HN 0.555 nan 8.190 nan 0.000 0.447 457 G N -0.513 107.578 108.800 -1.181 0.000 2.442 457 G HA2 -0.218 3.741 3.960 -0.003 0.000 0.219 457 G HA3 -0.218 3.741 3.960 -0.003 0.000 0.219 457 G C 1.698 175.862 174.900 -1.227 0.000 1.141 457 G CA 0.994 44.703 45.100 -2.317 0.000 0.763 457 G HN 0.634 nan 8.290 nan 0.000 0.554 458 A N 0.610 123.073 122.820 -0.596 0.000 2.067 458 A HA 0.427 4.745 4.320 -0.003 0.000 0.219 458 A C 2.485 180.061 177.584 -0.013 0.000 1.158 458 A CA 1.851 53.942 52.037 0.090 0.000 0.661 458 A CB -0.290 18.858 19.000 0.246 0.000 0.801 458 A HN 0.756 nan 8.150 nan 0.000 0.452 459 A N -1.135 121.479 122.820 -0.343 0.000 2.275 459 A HA 0.453 4.771 4.320 -0.003 0.000 0.212 459 A C 0.913 178.386 177.584 -0.185 0.000 1.201 459 A CA -0.355 51.525 52.037 -0.262 0.000 0.843 459 A CB -0.459 18.192 19.000 -0.582 0.000 0.873 459 A HN 0.488 nan 8.150 nan 0.000 0.492 460 M N 1.177 120.651 119.600 -0.210 0.000 2.290 460 M HA 0.041 4.519 4.480 -0.003 0.000 0.356 460 M C 0.131 176.313 176.300 -0.197 0.000 1.448 460 M CA 1.067 56.275 55.300 -0.154 0.000 0.993 460 M CB 0.067 32.566 32.600 -0.168 0.000 1.934 460 M HN 0.285 nan 8.290 nan 0.000 0.461 461 R N 1.385 121.757 120.500 -0.213 0.000 2.744 461 R HA 0.710 5.048 4.340 -0.003 0.000 0.279 461 R C -1.162 175.033 176.300 -0.174 0.000 0.977 461 R CA -0.766 55.142 56.100 -0.320 0.000 0.906 461 R CB 2.462 32.478 30.300 -0.473 0.000 1.197 461 R HN 0.611 nan 8.270 nan 0.000 0.463 462 S N 0.447 116.045 115.700 -0.171 0.000 2.543 462 S HA 0.065 4.533 4.470 -0.003 0.000 0.271 462 S C -1.369 173.159 174.600 -0.118 0.000 1.148 462 S CA -0.730 57.398 58.200 -0.119 0.000 0.914 462 S CB 1.567 64.710 63.200 -0.096 0.000 1.096 462 S HN 0.613 nan 8.310 nan 0.000 0.471 463 E N 3.853 123.989 120.200 -0.108 0.000 2.081 463 E HA 0.381 4.730 4.350 -0.003 0.000 0.270 463 E C 0.617 177.153 176.600 -0.106 0.000 1.180 463 E CA -0.216 56.125 56.400 -0.099 0.000 0.926 463 E CB 0.454 30.105 29.700 -0.082 0.000 1.035 463 E HN 0.682 nan 8.360 nan 0.000 0.418 474 I N 3.151 123.693 120.570 -0.047 0.000 2.498 474 I HA 0.468 4.636 4.170 -0.003 0.000 0.290 474 I C -0.367 175.708 176.117 -0.070 0.000 1.032 474 I CA -0.978 60.290 61.300 -0.053 0.000 1.073 474 I CB 1.809 39.781 38.000 -0.046 0.000 1.251 474 I HN 0.573 nan 8.210 nan 0.000 0.426 475 I N 6.354 126.874 120.570 -0.084 0.000 2.312 475 I HA 0.378 4.546 4.170 -0.003 0.000 0.290 475 I C 0.041 176.071 176.117 -0.145 0.000 1.008 475 I CA -0.102 61.128 61.300 -0.117 0.000 1.226 475 I CB 1.139 39.064 38.000 -0.126 0.000 1.371 475 I HN 0.377 nan 8.210 nan 0.000 0.468 476 M N 4.583 124.091 119.600 -0.154 0.000 2.644 476 M HA 0.435 4.914 4.480 -0.003 0.000 0.316 476 M C -0.316 175.835 176.300 -0.248 0.000 1.200 476 M CA -0.797 54.411 55.300 -0.154 0.000 0.944 476 M CB 1.790 34.335 32.600 -0.092 0.000 1.691 476 M HN 0.426 nan 8.290 nan 0.000 0.471 477 H N 1.212 120.099 119.070 -0.306 0.000 2.683 477 H HA 0.117 4.672 4.556 -0.003 0.000 0.339 477 H C -0.998 174.174 175.328 -0.261 0.000 1.081 477 H CA 0.695 56.479 56.048 -0.441 0.000 1.432 477 H CB 0.836 29.967 29.762 -1.052 0.000 1.462 477 H HN 0.429 nan 8.280 nan 0.000 0.557 478 D N 4.933 125.272 120.400 -0.102 0.000 2.621 478 D HA 0.200 4.838 4.640 -0.003 0.000 0.274 478 D C -2.726 173.548 176.300 -0.043 0.000 1.215 478 D CA -1.820 52.140 54.000 -0.067 0.000 0.810 478 D CB 0.818 41.584 40.800 -0.058 0.000 1.248 478 D HN 0.211 nan 8.370 nan 0.000 0.517 479 P HA 0.004 nan 4.420 nan 0.000 0.258 479 P C 0.146 177.569 177.300 0.206 0.000 1.172 479 P CA 0.091 63.247 63.100 0.093 0.000 0.762 479 P CB -0.185 31.494 31.700 -0.036 0.000 0.764 480 F N 1.901 121.733 119.950 -0.198 0.000 3.093 480 F HA -0.311 4.215 4.527 -0.003 0.000 0.283 480 F C 1.419 177.238 175.800 0.032 0.000 0.848 480 F CA 1.017 58.930 58.000 -0.144 0.000 1.059 480 F CB -2.559 36.465 39.000 0.041 0.000 1.191 480 F HN 0.559 nan 8.300 nan 0.000 0.514 481 A N -1.646 121.259 122.820 0.141 0.000 2.826 481 A HA -0.289 4.030 4.320 -0.003 0.000 0.274 481 A C 1.363 179.097 177.584 0.250 0.000 1.443 481 A CA 1.641 53.806 52.037 0.214 0.000 0.833 481 A CB -1.409 17.764 19.000 0.290 0.000 1.023 481 A HN 0.429 nan 8.150 nan 0.000 0.600 482 M N -1.634 117.917 119.600 -0.082 0.000 2.313 482 M HA 0.148 4.626 4.480 -0.003 0.000 0.273 482 M C 1.613 177.309 176.300 -1.007 0.000 1.049 482 M CA 0.496 55.511 55.300 -0.475 0.000 1.004 482 M CB -0.435 31.641 32.600 -0.873 0.000 1.461 482 M HN 0.643 nan 8.290 nan 0.000 0.514 483 R N 1.912 122.034 120.500 -0.629 0.000 2.159 483 R HA -0.187 4.152 4.340 -0.003 0.000 0.252 483 R C -1.081 174.925 176.300 -0.490 0.000 1.144 483 R CA 2.109 57.939 56.100 -0.450 0.000 0.961 483 R CB -0.963 29.210 30.300 -0.211 0.000 0.877 483 R HN 0.199 nan 8.270 nan 0.000 0.444 484 P HA 0.044 nan 4.420 nan 0.000 0.255 484 P C -0.003 176.799 177.300 -0.830 0.000 1.248 484 P CA 0.893 63.502 63.100 -0.818 0.000 0.807 484 P CB 0.174 31.190 31.700 -1.140 0.000 1.150 485 F N -2.792 116.959 119.950 -0.332 0.000 2.706 485 F HA 0.312 4.838 4.527 -0.002 0.000 0.313 485 F C 0.767 176.427 175.800 -0.234 0.000 1.096 485 F CA -0.786 57.052 58.000 -0.269 0.000 1.219 485 F CB -0.184 38.651 39.000 -0.276 0.000 1.051 485 F HN -0.301 nan 8.300 nan 0.000 0.568 486 F N 1.135 121.048 119.950 -0.062 0.000 2.612 486 F HA 0.101 4.627 4.527 -0.003 0.000 0.389 486 F C 1.601 177.371 175.800 -0.049 0.000 1.055 486 F CA -0.042 57.872 58.000 -0.143 0.000 1.232 486 F CB 0.623 39.461 39.000 -0.270 0.000 1.044 486 F HN 0.069 nan 8.300 nan 0.000 0.560 487 G N 3.363 112.317 108.800 0.256 0.000 3.042 487 G HA2 0.157 4.116 3.960 -0.003 0.000 0.212 487 G HA3 0.157 4.116 3.960 -0.003 0.000 0.212 487 G C -0.505 174.613 174.900 0.362 0.000 1.166 487 G CA 0.281 45.541 45.100 0.266 0.000 0.767 487 G HN 0.751 nan 8.290 nan 0.000 0.546 488 Y N -3.336 117.041 120.300 0.128 0.000 2.895 488 Y HA 0.438 4.986 4.550 -0.002 0.000 0.339 488 Y C -0.603 175.318 175.900 0.034 0.000 1.363 488 Y CA -1.777 56.364 58.100 0.068 0.000 1.085 488 Y CB 0.224 38.708 38.460 0.039 0.000 1.500 488 Y HN -0.174 nan 8.280 nan 0.000 0.442 489 N N 1.792 120.526 118.700 0.056 0.000 2.315 489 N HA -0.133 4.605 4.740 -0.003 0.000 0.270 489 N C 0.497 175.833 175.510 -0.291 0.000 1.329 489 N CA 0.539 53.538 53.050 -0.085 0.000 0.860 489 N CB 0.115 38.612 38.487 0.017 0.000 1.095 489 N HN 0.763 nan 8.380 nan 0.000 0.487 490 F N 4.709 124.290 119.950 -0.614 0.000 2.161 490 F HA -0.028 4.497 4.527 -0.003 0.000 0.300 490 F C 2.032 177.623 175.800 -0.348 0.000 1.089 490 F CA 1.833 59.327 58.000 -0.842 0.000 1.282 490 F CB -0.675 37.652 39.000 -1.121 0.000 1.010 490 F HN 0.549 nan 8.300 nan 0.000 0.485 491 G N 0.558 109.134 108.800 -0.373 0.000 2.491 491 G HA2 -0.315 3.643 3.960 -0.003 0.000 0.218 491 G HA3 -0.315 3.643 3.960 -0.003 0.000 0.218 491 G C 1.820 176.608 174.900 -0.186 0.000 1.180 491 G CA 1.045 45.950 45.100 -0.325 0.000 0.774 491 G HN 0.390 nan 8.290 nan 0.000 0.562 492 K N -0.707 119.663 120.400 -0.051 0.000 2.148 492 K HA -0.084 4.234 4.320 -0.003 0.000 0.204 492 K C 2.194 178.938 176.600 0.240 0.000 1.050 492 K CA 1.130 57.486 56.287 0.116 0.000 0.942 492 K CB -0.315 32.325 32.500 0.234 0.000 0.724 492 K HN 0.501 nan 8.250 nan 0.000 0.446 493 Y N 1.802 122.079 120.300 -0.037 0.000 2.181 493 Y HA -0.196 4.353 4.550 -0.002 0.000 0.288 493 Y C 1.822 177.786 175.900 0.107 0.000 1.146 493 Y CA 1.243 59.372 58.100 0.048 0.000 1.164 493 Y CB -0.129 38.171 38.460 -0.267 0.000 0.982 493 Y HN -0.079 nan 8.280 nan 0.000 0.515 494 L N -0.152 121.050 121.223 -0.035 0.000 2.083 494 L HA -0.207 4.131 4.340 -0.003 0.000 0.209 494 L C 2.820 179.742 176.870 0.086 0.000 1.083 494 L CA 1.085 55.880 54.840 -0.074 0.000 0.752 494 L CB -0.890 40.986 42.059 -0.306 0.000 0.899 494 L HN 0.383 nan 8.230 nan 0.000 0.433 495 A N -0.703 122.167 122.820 0.083 0.000 1.898 495 A HA -0.286 4.032 4.320 -0.003 0.000 0.216 495 A C 2.118 179.823 177.584 0.202 0.000 1.181 495 A CA 1.802 53.916 52.037 0.128 0.000 0.620 495 A CB -0.772 18.284 19.000 0.093 0.000 0.819 495 A HN 0.478 nan 8.150 nan 0.000 0.442 496 H N -1.756 117.372 119.070 0.097 0.000 2.290 496 H HA -0.219 4.335 4.556 -0.003 0.000 0.298 496 H C 1.796 177.173 175.328 0.082 0.000 1.087 496 H CA 2.225 58.306 56.048 0.056 0.000 1.291 496 H CB -0.553 29.221 29.762 0.021 0.000 1.369 496 H HN 0.622 nan 8.280 nan 0.000 0.492 497 W N 0.491 121.729 121.300 -0.104 0.000 2.338 497 W HA -0.158 4.501 4.660 -0.002 0.000 0.304 497 W C 2.669 179.367 176.519 0.298 0.000 1.212 497 W CA 1.501 58.844 57.345 -0.003 0.000 1.264 497 W CB -0.527 28.893 29.460 -0.067 0.000 1.142 497 W HN 0.207 nan 8.180 nan 0.000 0.512 498 L N -0.014 121.489 121.223 0.467 0.000 2.046 498 L HA -0.259 4.079 4.340 -0.003 0.000 0.208 498 L C 2.727 179.813 176.870 0.360 0.000 1.077 498 L CA 1.717 56.831 54.840 0.456 0.000 0.747 498 L CB -1.276 40.954 42.059 0.285 0.000 0.896 498 L HN 0.022 nan 8.230 nan 0.000 0.432 499 S N -0.409 115.425 115.700 0.224 0.000 2.465 499 S HA -0.240 4.229 4.470 -0.003 0.000 0.241 499 S C 1.914 176.580 174.600 0.111 0.000 1.000 499 S CA 1.131 59.418 58.200 0.144 0.000 0.964 499 S CB -0.446 62.831 63.200 0.128 0.000 0.763 499 S HN 0.371 nan 8.310 nan 0.000 0.512 500 M N 1.229 120.901 119.600 0.119 0.000 2.279 500 M HA 0.011 4.490 4.480 -0.003 0.000 0.264 500 M C 2.500 178.705 176.300 -0.158 0.000 1.062 500 M CA 1.402 56.725 55.300 0.040 0.000 1.099 500 M CB -0.566 32.029 32.600 -0.008 0.000 1.394 500 M HN 0.555 nan 8.290 nan 0.000 0.426 501 A N -0.561 122.138 122.820 -0.202 0.000 2.209 501 A HA -0.113 4.206 4.320 -0.003 0.000 0.212 501 A C 1.737 179.258 177.584 -0.105 0.000 1.158 501 A CA 1.136 53.030 52.037 -0.240 0.000 0.742 501 A CB -0.279 18.691 19.000 -0.050 0.000 0.790 501 A HN 0.490 nan 8.150 nan 0.000 0.472 502 Q N -1.183 118.588 119.800 -0.048 0.000 2.217 502 Q HA 0.120 4.458 4.340 -0.003 0.000 0.217 502 Q C 0.379 176.335 176.000 -0.074 0.000 0.844 502 Q CA -0.149 55.628 55.803 -0.044 0.000 0.957 502 Q CB 0.255 28.990 28.738 -0.006 0.000 1.127 502 Q HN 0.730 nan 8.270 nan 0.000 0.503 503 H N 1.874 120.825 119.070 -0.199 0.000 2.848 503 H HA 0.086 4.641 4.556 -0.003 0.000 0.341 503 H C -2.252 172.872 175.328 -0.340 0.000 1.060 503 H CA -1.581 54.297 56.048 -0.283 0.000 1.444 503 H CB 0.828 30.308 29.762 -0.470 0.000 1.446 503 H HN -0.068 nan 8.280 nan 0.000 0.583 504 P HA 0.087 nan 4.420 nan 0.000 0.266 504 P C -0.071 177.096 177.300 -0.222 0.000 1.215 504 P CA 0.687 63.608 63.100 -0.297 0.000 0.763 504 P CB 0.405 31.914 31.700 -0.317 0.000 0.806 505 A N 2.690 125.397 122.820 -0.187 0.000 2.860 505 A HA -0.091 4.227 4.320 -0.003 0.000 0.267 505 A C 0.859 178.292 177.584 -0.251 0.000 1.421 505 A CA 0.582 52.512 52.037 -0.179 0.000 0.831 505 A CB -2.210 16.703 19.000 -0.146 0.000 1.041 505 A HN 0.750 nan 8.150 nan 0.000 0.623 506 A N -0.028 122.590 122.820 -0.337 0.000 2.511 506 A HA 0.474 4.793 4.320 -0.003 0.000 0.242 506 A C 0.643 178.050 177.584 -0.296 0.000 1.069 506 A CA 0.360 52.077 52.037 -0.533 0.000 0.763 506 A CB 0.185 18.724 19.000 -0.770 0.000 1.001 506 A HN 0.446 nan 8.150 nan 0.000 0.498 507 K N 3.840 124.108 120.400 -0.219 0.000 2.290 507 K HA 0.302 4.621 4.320 -0.003 0.000 0.250 507 K C -0.746 175.859 176.600 0.007 0.000 1.092 507 K CA 0.034 56.251 56.287 -0.117 0.000 1.006 507 K CB 0.348 32.731 32.500 -0.194 0.000 1.549 507 K HN 0.627 nan 8.250 nan 0.000 0.436 508 L N 3.777 124.970 121.223 -0.050 0.000 2.455 508 L HA 0.117 4.456 4.340 -0.003 0.000 0.272 508 L C -1.770 175.178 176.870 0.131 0.000 1.174 508 L CA -1.597 53.203 54.840 -0.066 0.000 0.869 508 L CB -0.236 41.650 42.059 -0.289 0.000 1.130 508 L HN 0.168 nan 8.230 nan 0.000 0.474 509 P HA 0.047 nan 4.420 nan 0.000 0.269 509 P C -0.688 176.764 177.300 0.254 0.000 1.209 509 P CA -0.405 62.845 63.100 0.249 0.000 0.776 509 P CB 0.512 32.380 31.700 0.280 0.000 0.876 510 K N 2.355 122.821 120.400 0.110 0.000 2.326 510 K HA 0.272 4.590 4.320 -0.003 0.000 0.275 510 K C -0.497 175.945 176.600 -0.263 0.000 1.018 510 K CA -0.173 56.063 56.287 -0.086 0.000 0.962 510 K CB 0.080 32.471 32.500 -0.182 0.000 0.953 510 K HN 0.379 nan 8.250 nan 0.000 0.475 511 I N 5.003 125.336 120.570 -0.395 0.000 2.378 511 I HA 0.313 4.482 4.170 -0.003 0.000 0.291 511 I C -0.830 174.939 176.117 -0.581 0.000 0.992 511 I CA -0.726 60.333 61.300 -0.402 0.000 1.154 511 I CB 0.882 38.735 38.000 -0.245 0.000 1.315 511 I HN 0.490 nan 8.210 nan 0.000 0.448 512 F N 3.864 123.754 119.950 -0.099 0.000 2.598 512 F HA 0.517 5.042 4.527 -0.003 0.000 0.327 512 F C 0.061 175.768 175.800 -0.155 0.000 1.057 512 F CA -0.756 57.209 58.000 -0.059 0.000 0.957 512 F CB 1.448 40.460 39.000 0.020 0.000 1.278 512 F HN 0.372 nan 8.300 nan 0.000 0.484 513 H N 1.353 120.303 119.070 -0.201 0.000 2.667 513 H HA 0.677 5.231 4.556 -0.003 0.000 0.353 513 H C -1.627 173.479 175.328 -0.369 0.000 1.072 513 H CA -0.626 55.198 56.048 -0.374 0.000 1.214 513 H CB 1.803 31.090 29.762 -0.793 0.000 1.600 513 H HN 0.589 nan 8.280 nan 0.000 0.527 514 V N 2.912 122.427 119.914 -0.666 0.000 3.046 514 V HA 0.606 4.724 4.120 -0.003 0.000 0.316 514 V C -0.586 175.032 176.094 -0.794 0.000 1.104 514 V CA -0.984 60.913 62.300 -0.673 0.000 1.006 514 V CB 2.042 33.280 31.823 -0.975 0.000 1.058 514 V HN 0.788 nan 8.190 nan 0.000 0.440 515 N N 0.728 118.994 118.700 -0.724 0.000 2.572 515 N HA 0.397 5.136 4.740 -0.003 0.000 0.287 515 N C -0.791 174.432 175.510 -0.479 0.000 1.136 515 N CA -0.661 52.071 53.050 -0.530 0.000 0.900 515 N CB 1.298 39.686 38.487 -0.165 0.000 1.484 515 N HN 0.908 nan 8.380 nan 0.000 0.526 516 W N 2.281 123.268 121.300 -0.521 0.000 3.278 516 W HA 0.328 4.987 4.660 -0.003 0.000 0.308 516 W C 0.070 176.037 176.519 -0.920 0.000 1.253 516 W CA -0.481 56.393 57.345 -0.784 0.000 1.759 516 W CB 0.314 29.066 29.460 -1.180 0.000 1.093 516 W HN 0.403 nan 8.180 nan 0.000 0.648 517 F N 0.476 120.418 119.950 -0.013 0.000 2.791 517 F HA 0.315 4.840 4.527 -0.003 0.000 0.308 517 F C 1.127 177.072 175.800 0.242 0.000 1.138 517 F CA -0.778 57.263 58.000 0.069 0.000 1.294 517 F CB -0.196 38.846 39.000 0.070 0.000 0.975 517 F HN -0.365 nan 8.300 nan 0.000 0.512 518 R N 2.128 122.765 120.500 0.228 0.000 2.442 518 R HA 0.248 4.587 4.340 -0.003 0.000 0.291 518 R C -0.332 176.102 176.300 0.223 0.000 1.069 518 R CA 0.201 56.390 56.100 0.148 0.000 1.022 518 R CB 0.587 30.889 30.300 0.004 0.000 0.976 518 R HN 0.190 nan 8.270 nan 0.000 0.443 519 K N 2.144 122.612 120.400 0.115 0.000 2.221 519 K HA 0.190 4.509 4.320 -0.003 0.000 0.243 519 K C -0.695 175.906 176.600 0.002 0.000 0.968 519 K CA -1.014 55.294 56.287 0.036 0.000 0.846 519 K CB 1.233 33.692 32.500 -0.068 0.000 1.141 519 K HN 0.634 nan 8.250 nan 0.000 0.434 520 D N 0.198 120.592 120.400 -0.010 0.000 2.451 520 D HA 0.002 4.640 4.640 -0.003 0.000 0.259 520 D C 0.723 177.009 176.300 -0.023 0.000 1.201 520 D CA -0.509 53.487 54.000 -0.007 0.000 1.028 520 D CB 0.521 41.326 40.800 0.008 0.000 1.095 520 D HN 0.534 nan 8.370 nan 0.000 0.539 521 K N -0.622 119.770 120.400 -0.014 0.000 2.211 521 K HA -0.202 4.116 4.320 -0.003 0.000 0.204 521 K C 0.947 177.531 176.600 -0.026 0.000 1.047 521 K CA 1.367 57.644 56.287 -0.016 0.000 0.935 521 K CB -0.209 32.287 32.500 -0.007 0.000 0.728 521 K HN 0.239 nan 8.250 nan 0.000 0.452 522 E N 0.139 120.322 120.200 -0.029 0.000 2.502 522 E HA 0.106 4.455 4.350 -0.003 0.000 0.194 522 E C 0.757 177.317 176.600 -0.067 0.000 1.062 522 E CA 0.692 57.069 56.400 -0.038 0.000 0.867 522 E CB 0.510 30.193 29.700 -0.028 0.000 0.888 522 E HN 0.584 nan 8.360 nan 0.000 0.510 523 G N 0.934 109.682 108.800 -0.086 0.000 2.143 523 G HA2 -0.281 3.678 3.960 -0.003 0.000 0.248 523 G HA3 -0.281 3.678 3.960 -0.003 0.000 0.248 523 G C -0.040 174.709 174.900 -0.251 0.000 0.991 523 G CA 0.050 45.061 45.100 -0.148 0.000 0.689 523 G HN 0.030 nan 8.290 nan 0.000 0.522 524 K N -0.035 120.259 120.400 -0.177 0.000 2.143 524 K HA 0.499 4.818 4.320 -0.003 0.000 0.272 524 K C 0.455 176.971 176.600 -0.141 0.000 1.001 524 K CA -0.829 55.346 56.287 -0.188 0.000 0.915 524 K CB 0.748 33.212 32.500 -0.059 0.000 1.047 524 K HN 0.156 nan 8.250 nan 0.000 0.458 525 F N 1.924 121.897 119.950 0.039 0.000 2.572 525 F HA -0.052 4.474 4.527 -0.002 0.000 0.370 525 F C 1.805 177.623 175.800 0.030 0.000 1.103 525 F CA -0.240 57.785 58.000 0.041 0.000 1.286 525 F CB 0.297 39.316 39.000 0.033 0.000 1.105 525 F HN 0.357 nan 8.300 nan 0.000 0.583 526 L N 3.275 124.656 121.223 0.264 0.000 2.341 526 L HA -0.034 4.304 4.340 -0.003 0.000 0.214 526 L C 0.210 177.216 176.870 0.226 0.000 1.115 526 L CA 0.588 55.532 54.840 0.174 0.000 0.820 526 L CB 0.058 42.190 42.059 0.121 0.000 0.944 526 L HN 0.568 nan 8.230 nan 0.000 0.452 527 W N 0.676 121.959 121.300 -0.029 0.000 2.683 527 W HA 0.264 4.922 4.660 -0.003 0.000 0.329 527 W C -2.134 174.259 176.519 -0.210 0.000 1.037 527 W CA -1.768 55.500 57.345 -0.128 0.000 1.232 527 W CB 1.988 31.350 29.460 -0.164 0.000 1.390 527 W HN -0.140 nan 8.180 nan 0.000 0.465 528 P HA -0.013 nan 4.420 nan 0.000 0.217 528 P C 0.949 177.780 177.300 -0.781 0.000 1.150 528 P CA 2.193 64.917 63.100 -0.627 0.000 0.832 528 P CB 0.305 31.627 31.700 -0.631 0.000 0.787 529 G N -1.678 106.492 108.800 -1.051 0.000 2.569 529 G HA2 -0.287 3.672 3.960 -0.003 0.000 0.259 529 G HA3 -0.287 3.672 3.960 -0.003 0.000 0.259 529 G C 0.317 174.792 174.900 -0.707 0.000 1.263 529 G CA -0.163 44.406 45.100 -0.886 0.000 0.928 529 G HN 0.213 nan 8.290 nan 0.000 0.572 530 F N -1.800 117.870 119.950 -0.466 0.000 3.078 530 F HA -0.320 4.205 4.527 -0.003 0.000 0.250 530 F C 2.708 178.324 175.800 -0.306 0.000 1.463 530 F CA 2.137 59.939 58.000 -0.330 0.000 1.788 530 F CB -1.639 37.221 39.000 -0.234 0.000 0.886 530 F HN 1.586 nan 8.300 nan 0.000 0.305 531 G N -0.270 108.537 108.800 0.011 0.000 2.475 531 G HA2 -0.217 3.741 3.960 -0.003 0.000 0.220 531 G HA3 -0.217 3.741 3.960 -0.003 0.000 0.220 531 G C 1.116 175.930 174.900 -0.143 0.000 1.125 531 G CA 1.374 46.429 45.100 -0.075 0.000 0.755 531 G HN 0.561 nan 8.290 nan 0.000 0.565 532 E N 1.138 121.214 120.200 -0.207 0.000 2.338 532 E HA -0.059 4.289 4.350 -0.003 0.000 0.197 532 E C 2.035 178.577 176.600 -0.098 0.000 1.007 532 E CA 0.275 56.532 56.400 -0.238 0.000 0.849 532 E CB -0.299 29.100 29.700 -0.501 0.000 0.774 532 E HN 0.345 nan 8.360 nan 0.000 0.506 533 N N 1.058 119.633 118.700 -0.210 0.000 2.443 533 N HA -0.120 4.618 4.740 -0.003 0.000 0.184 533 N C 1.755 177.181 175.510 -0.141 0.000 1.037 533 N CA 1.114 53.996 53.050 -0.279 0.000 0.896 533 N CB -0.320 37.636 38.487 -0.884 0.000 0.959 533 N HN 0.214 nan 8.380 nan 0.000 0.442 534 S N 1.010 116.616 115.700 -0.156 0.000 2.402 534 S HA -0.147 4.321 4.470 -0.003 0.000 0.233 534 S C 1.867 176.302 174.600 -0.276 0.000 1.030 534 S CA 0.732 58.804 58.200 -0.213 0.000 1.003 534 S CB -0.226 62.831 63.200 -0.239 0.000 0.813 534 S HN 0.285 nan 8.310 nan 0.000 0.477 535 R N 0.502 120.919 120.500 -0.139 0.000 2.081 535 R HA 0.016 4.354 4.340 -0.003 0.000 0.235 535 R C 2.351 178.641 176.300 -0.016 0.000 1.131 535 R CA 1.477 57.532 56.100 -0.075 0.000 0.960 535 R CB -0.788 29.589 30.300 0.128 0.000 0.856 535 R HN 0.368 nan 8.270 nan 0.000 0.436 536 V N 1.502 121.441 119.914 0.042 0.000 2.358 536 V HA -0.196 3.922 4.120 -0.003 0.000 0.246 536 V C 2.314 178.450 176.094 0.071 0.000 1.047 536 V CA 1.526 63.876 62.300 0.083 0.000 1.035 536 V CB -0.419 31.501 31.823 0.161 0.000 0.658 536 V HN 0.296 nan 8.190 nan 0.000 0.452 537 L N 0.029 121.248 121.223 -0.006 0.000 2.079 537 L HA -0.255 4.083 4.340 -0.003 0.000 0.210 537 L C 2.591 179.412 176.870 -0.081 0.000 1.081 537 L CA 2.273 57.092 54.840 -0.035 0.000 0.752 537 L CB -0.713 41.316 42.059 -0.050 0.000 0.896 537 L HN 0.506 nan 8.230 nan 0.000 0.433 538 E N -0.137 119.890 120.200 -0.287 0.000 2.058 538 E HA -0.303 4.046 4.350 -0.003 0.000 0.194 538 E C 2.138 178.780 176.600 0.070 0.000 0.997 538 E CA 1.776 57.973 56.400 -0.339 0.000 0.801 538 E CB -0.300 29.090 29.700 -0.518 0.000 0.746 538 E HN 0.463 nan 8.360 nan 0.000 0.450 539 W N 0.913 122.171 121.300 -0.070 0.000 2.358 539 W HA -0.162 4.497 4.660 -0.002 0.000 0.303 539 W C 2.115 178.631 176.519 -0.004 0.000 1.208 539 W CA 1.893 59.232 57.345 -0.011 0.000 1.274 539 W CB -0.199 29.242 29.460 -0.031 0.000 1.138 539 W HN 0.104 nan 8.180 nan 0.000 0.515 540 M N -1.205 118.304 119.600 -0.151 0.000 2.086 540 M HA -0.174 4.304 4.480 -0.003 0.000 0.261 540 M C 2.195 178.422 176.300 -0.121 0.000 1.067 540 M CA 1.967 56.960 55.300 -0.511 0.000 1.116 540 M CB -1.063 31.096 32.600 -0.735 0.000 1.348 540 M HN 0.051 nan 8.290 nan 0.000 0.407 541 F N 1.644 121.544 119.950 -0.082 0.000 2.065 541 F HA -0.331 4.194 4.527 -0.002 0.000 0.298 541 F C 2.127 177.944 175.800 0.029 0.000 1.112 541 F CA 1.815 59.849 58.000 0.057 0.000 1.212 541 F CB -0.262 38.873 39.000 0.226 0.000 0.975 541 F HN 0.186 nan 8.300 nan 0.000 0.476 542 N N 0.196 119.087 118.700 0.318 0.000 2.244 542 N HA -0.123 4.615 4.740 -0.003 0.000 0.183 542 N C 1.892 177.376 175.510 -0.043 0.000 1.016 542 N CA 0.776 53.925 53.050 0.167 0.000 0.866 542 N CB -0.394 38.181 38.487 0.145 0.000 0.980 542 N HN 0.234 nan 8.380 nan 0.000 0.430 543 R N 0.952 121.328 120.500 -0.206 0.000 2.075 543 R HA 0.071 4.409 4.340 -0.003 0.000 0.232 543 R C 2.241 178.494 176.300 -0.079 0.000 1.126 543 R CA 0.441 56.398 56.100 -0.238 0.000 0.963 543 R CB -0.815 29.225 30.300 -0.433 0.000 0.858 543 R HN 0.320 nan 8.270 nan 0.000 0.435 544 I N 1.126 121.683 120.570 -0.022 0.000 2.335 544 I HA -0.261 3.907 4.170 -0.003 0.000 0.251 544 I C 1.021 177.105 176.117 -0.055 0.000 1.129 544 I CA 1.358 62.647 61.300 -0.018 0.000 1.402 544 I CB -0.208 37.765 38.000 -0.046 0.000 1.069 544 I HN -0.004 nan 8.210 nan 0.000 0.424 545 D N 0.887 121.246 120.400 -0.069 0.000 2.349 545 D HA 0.164 4.802 4.640 -0.003 0.000 0.224 545 D C 1.021 177.309 176.300 -0.020 0.000 1.029 545 D CA 0.821 54.797 54.000 -0.041 0.000 0.879 545 D CB -0.099 40.694 40.800 -0.010 0.000 0.906 545 D HN 0.385 nan 8.370 nan 0.000 0.528 550 T N -1.289 113.345 114.554 0.132 0.000 2.945 550 T HA 0.731 5.079 4.350 -0.003 0.000 0.286 550 T C -0.682 174.113 174.700 0.159 0.000 1.025 550 T CA -0.797 61.420 62.100 0.194 0.000 1.039 550 T CB 1.546 70.381 68.868 -0.055 0.000 1.068 550 T HN 0.904 nan 8.240 nan 0.000 0.497 551 K N 2.225 122.750 120.400 0.208 0.000 2.394 551 K HA 0.497 4.815 4.320 -0.003 0.000 0.260 551 K C -0.879 175.862 176.600 0.234 0.000 0.967 551 K CA -1.004 55.374 56.287 0.152 0.000 0.855 551 K CB 1.356 33.889 32.500 0.056 0.000 1.101 551 K HN 0.638 nan 8.250 nan 0.000 0.433 552 L N 4.206 125.566 121.223 0.228 0.000 2.416 552 L HA 0.265 4.603 4.340 -0.003 0.000 0.272 552 L C -0.333 176.562 176.870 0.041 0.000 1.161 552 L CA 0.896 55.844 54.840 0.181 0.000 0.845 552 L CB 0.957 43.100 42.059 0.140 0.000 1.119 552 L HN 0.912 nan 8.230 nan 0.000 0.464 553 T N 0.876 115.405 114.554 -0.041 0.000 2.865 553 T HA 0.569 4.917 4.350 -0.003 0.000 0.294 553 T C -2.201 172.384 174.700 -0.191 0.000 1.119 553 T CA -1.425 60.608 62.100 -0.112 0.000 1.007 553 T CB 1.507 70.293 68.868 -0.137 0.000 1.225 553 T HN 0.361 nan 8.240 nan 0.000 0.515 554 P HA 0.053 nan 4.420 nan 0.000 0.218 554 P C 1.527 178.627 177.300 -0.334 0.000 1.149 554 P CA 0.750 63.699 63.100 -0.251 0.000 0.817 554 P CB -0.195 31.367 31.700 -0.231 0.000 0.785 555 I N -5.507 114.774 120.570 -0.481 0.000 3.728 555 I HA 0.400 4.569 4.170 -0.003 0.000 0.307 555 I C 0.753 176.716 176.117 -0.257 0.000 1.276 555 I CA 0.259 61.230 61.300 -0.548 0.000 1.285 555 I CB -0.164 37.109 38.000 -1.210 0.000 1.038 555 I HN -0.044 nan 8.210 nan 0.000 0.445 556 G N 0.564 109.238 108.800 -0.211 0.000 2.357 556 G HA2 0.060 4.018 3.960 -0.003 0.000 0.289 556 G HA3 0.060 4.018 3.960 -0.003 0.000 0.289 556 G C -1.547 173.318 174.900 -0.058 0.000 1.302 556 G CA -0.913 44.146 45.100 -0.069 0.000 0.936 556 G HN 0.203 nan 8.290 nan 0.000 0.513 557 Y N 0.540 121.000 120.300 0.266 0.000 2.304 557 Y HA 0.579 5.128 4.550 -0.003 0.000 0.328 557 Y C 1.472 177.582 175.900 0.350 0.000 1.123 557 Y CA -0.289 57.978 58.100 0.278 0.000 1.218 557 Y CB 0.923 39.588 38.460 0.341 0.000 1.207 557 Y HN 0.657 nan 8.280 nan 0.000 0.495 558 I N 0.662 121.442 120.570 0.349 0.000 3.100 558 I HA 0.700 4.868 4.170 -0.003 0.000 0.312 558 I C -2.830 173.222 176.117 -0.108 0.000 1.063 558 I CA -3.341 58.028 61.300 0.115 0.000 1.031 558 I CB 1.662 39.713 38.000 0.086 0.000 1.243 558 I HN 0.229 nan 8.210 nan 0.000 0.483 559 P HA 0.141 nan 4.420 nan 0.000 0.271 559 P C -1.221 175.871 177.300 -0.347 0.000 1.216 559 P CA -0.309 62.349 63.100 -0.736 0.000 0.776 559 P CB 0.516 31.461 31.700 -1.259 0.000 0.881 560 K N 1.547 121.887 120.400 -0.100 0.000 2.155 560 K HA 0.258 4.577 4.320 -0.003 0.000 0.237 560 K C 0.097 176.610 176.600 -0.144 0.000 1.040 560 K CA -0.687 55.550 56.287 -0.082 0.000 0.912 560 K CB 0.525 33.034 32.500 0.015 0.000 1.137 560 K HN 0.316 nan 8.250 nan 0.000 0.498 561 E N 0.694 120.834 120.200 -0.101 0.000 2.417 561 E HA -0.115 4.234 4.350 -0.003 0.000 0.261 561 E C -0.680 175.880 176.600 -0.068 0.000 1.000 561 E CA 0.537 56.876 56.400 -0.102 0.000 0.919 561 E CB 0.113 29.777 29.700 -0.060 0.000 0.955 561 E HN 0.686 nan 8.360 nan 0.000 0.455 562 D N 1.936 122.286 120.400 -0.083 0.000 2.946 562 D HA -0.256 4.382 4.640 -0.003 0.000 0.202 562 D C 0.743 177.031 176.300 -0.021 0.000 1.068 562 D CA 1.082 55.058 54.000 -0.040 0.000 1.011 562 D CB -1.244 39.550 40.800 -0.010 0.000 1.105 562 D HN 0.521 nan 8.370 nan 0.000 0.425 563 A N -0.176 122.618 122.820 -0.042 0.000 1.929 563 A HA 0.053 4.372 4.320 -0.003 0.000 0.216 563 A C 1.182 178.783 177.584 0.029 0.000 1.176 563 A CA 0.510 52.566 52.037 0.032 0.000 0.628 563 A CB 0.045 19.094 19.000 0.082 0.000 0.816 563 A HN 0.219 nan 8.150 nan 0.000 0.444 564 L N 1.108 122.270 121.223 -0.101 0.000 2.455 564 L HA 0.162 4.501 4.340 -0.003 0.000 0.272 564 L C 0.103 176.982 176.870 0.015 0.000 1.174 564 L CA -0.167 54.631 54.840 -0.071 0.000 0.869 564 L CB -0.009 41.950 42.059 -0.167 0.000 1.130 564 L HN 0.349 nan 8.230 nan 0.000 0.474 565 N N 5.041 123.772 118.700 0.051 0.000 2.402 565 N HA 0.124 4.862 4.740 -0.003 0.000 0.252 565 N C 0.028 175.576 175.510 0.063 0.000 1.118 565 N CA 0.139 53.219 53.050 0.050 0.000 0.945 565 N CB 0.312 38.819 38.487 0.033 0.000 1.147 565 N HN 0.701 nan 8.380 nan 0.000 0.495 566 L N 1.956 123.212 121.223 0.055 0.000 2.728 566 L HA 0.250 4.589 4.340 -0.003 0.000 0.238 566 L C 0.944 177.825 176.870 0.018 0.000 1.143 566 L CA -0.290 54.583 54.840 0.053 0.000 0.937 566 L CB -0.113 41.984 42.059 0.065 0.000 1.225 566 L HN 0.412 nan 8.230 nan 0.000 0.507 567 K N 1.414 121.824 120.400 0.017 0.000 2.491 567 K HA 0.130 4.449 4.320 -0.003 0.000 0.279 567 K C 1.184 177.778 176.600 -0.009 0.000 1.026 567 K CA 1.138 57.430 56.287 0.009 0.000 1.070 567 K CB 0.230 32.740 32.500 0.017 0.000 0.887 567 K HN 0.268 nan 8.250 nan 0.000 0.481 568 G N 3.121 111.913 108.800 -0.012 0.000 2.176 568 G HA2 -0.240 3.719 3.960 -0.003 0.000 0.253 568 G HA3 -0.240 3.719 3.960 -0.003 0.000 0.253 568 G C -0.068 174.803 174.900 -0.049 0.000 0.979 568 G CA -0.002 45.082 45.100 -0.027 0.000 0.641 568 G HN 0.492 nan 8.290 nan 0.000 0.530 569 L N 0.649 121.840 121.223 -0.054 0.000 2.360 569 L HA 0.656 4.994 4.340 -0.003 0.000 0.271 569 L C 1.709 178.551 176.870 -0.047 0.000 1.057 569 L CA -0.489 54.298 54.840 -0.088 0.000 0.803 569 L CB 1.156 43.137 42.059 -0.129 0.000 1.207 569 L HN 0.216 nan 8.230 nan 0.000 0.445 570 G N -0.298 108.470 108.800 -0.053 0.000 2.379 570 G HA2 -0.084 3.874 3.960 -0.003 0.000 0.287 570 G HA3 -0.084 3.874 3.960 -0.003 0.000 0.287 570 G C -0.396 174.526 174.900 0.037 0.000 1.422 570 G CA -0.084 45.016 45.100 -0.001 0.000 1.081 570 G HN 0.766 nan 8.290 nan 0.000 0.569 571 H N -0.840 118.222 119.070 -0.013 0.000 2.582 571 H HA 0.470 5.025 4.556 -0.003 0.000 0.345 571 H C -0.287 175.054 175.328 0.022 0.000 1.104 571 H CA -0.636 55.417 56.048 0.008 0.000 1.390 571 H CB 0.575 30.345 29.762 0.013 0.000 1.461 571 H HN 0.086 nan 8.280 nan 0.000 0.551 572 I N 4.369 124.545 120.570 -0.657 0.000 2.465 572 I HA 0.084 4.252 4.170 -0.003 0.000 0.291 572 I C 0.121 175.891 176.117 -0.577 0.000 1.014 572 I CA -0.809 60.228 61.300 -0.438 0.000 1.093 572 I CB 1.455 39.432 38.000 -0.039 0.000 1.267 572 I HN 0.730 nan 8.210 nan 0.000 0.431 573 N N 6.499 125.029 118.700 -0.283 0.000 3.178 573 N HA 0.082 4.821 4.740 -0.003 0.000 0.300 573 N C 1.077 176.613 175.510 0.043 0.000 1.242 573 N CA -0.173 52.838 53.050 -0.066 0.000 1.192 573 N CB 0.377 38.891 38.487 0.044 0.000 1.463 573 N HN 0.412 nan 8.380 nan 0.000 0.539 574 M N 0.751 120.391 119.600 0.066 0.000 2.144 574 M HA -0.236 4.242 4.480 -0.003 0.000 0.260 574 M C 1.925 178.341 176.300 0.194 0.000 1.067 574 M CA 1.246 56.651 55.300 0.176 0.000 1.095 574 M CB -0.744 31.917 32.600 0.101 0.000 1.365 574 M HN 0.590 nan 8.290 nan 0.000 0.406 575 M N -0.300 119.369 119.600 0.115 0.000 2.080 575 M HA -0.231 4.248 4.480 -0.003 0.000 0.260 575 M C 1.837 178.192 176.300 0.092 0.000 1.068 575 M CA 1.929 57.286 55.300 0.096 0.000 1.109 575 M CB -0.415 32.230 32.600 0.075 0.000 1.342 575 M HN 0.264 nan 8.290 nan 0.000 0.405 576 E N -0.063 120.181 120.200 0.073 0.000 2.230 576 E HA -0.125 4.223 4.350 -0.003 0.000 0.192 576 E C 1.992 178.593 176.600 0.002 0.000 0.987 576 E CA 0.449 56.872 56.400 0.037 0.000 0.841 576 E CB 0.041 29.760 29.700 0.031 0.000 0.783 576 E HN 0.480 nan 8.360 nan 0.000 0.481 577 L N -0.176 121.051 121.223 0.006 0.000 2.093 577 L HA -0.084 4.254 4.340 -0.003 0.000 0.208 577 L C 1.229 177.890 176.870 -0.348 0.000 1.085 577 L CA 1.694 56.439 54.840 -0.158 0.000 0.755 577 L CB -0.163 41.803 42.059 -0.154 0.000 0.904 577 L HN 0.081 nan 8.230 nan 0.000 0.435 578 F N -1.161 118.752 119.950 -0.061 0.000 2.664 578 F HA 0.289 4.814 4.527 -0.003 0.000 0.303 578 F C 1.358 177.128 175.800 -0.050 0.000 1.092 578 F CA -0.046 57.913 58.000 -0.069 0.000 1.305 578 F CB -0.423 38.519 39.000 -0.096 0.000 1.054 578 F HN 0.009 nan 8.300 nan 0.000 0.565 579 S N 1.810 117.554 115.700 0.074 0.000 2.537 579 S HA 0.278 4.746 4.470 -0.003 0.000 0.286 579 S C -0.303 174.320 174.600 0.037 0.000 1.299 579 S CA -0.221 58.007 58.200 0.047 0.000 1.067 579 S CB -0.072 63.143 63.200 0.025 0.000 0.864 579 S HN 0.248 nan 8.310 nan 0.000 0.494 580 I N 4.051 124.647 120.570 0.043 0.000 2.420 580 I HA 0.251 4.420 4.170 -0.003 0.000 0.282 580 I C 0.182 176.376 176.117 0.127 0.000 1.019 580 I CA -0.462 60.876 61.300 0.063 0.000 1.130 580 I CB 1.681 39.611 38.000 -0.117 0.000 1.262 580 I HN 0.719 nan 8.210 nan 0.000 0.454 581 S N 5.604 121.460 115.700 0.259 0.000 2.525 581 S HA 0.270 4.738 4.470 -0.003 0.000 0.278 581 S C 1.007 175.804 174.600 0.328 0.000 1.234 581 S CA -0.535 57.806 58.200 0.235 0.000 1.058 581 S CB 1.669 64.984 63.200 0.191 0.000 0.983 581 S HN 0.745 nan 8.310 nan 0.000 0.495 582 K N 2.737 123.258 120.400 0.202 0.000 2.057 582 K HA -0.145 4.173 4.320 -0.003 0.000 0.207 582 K C 1.936 178.647 176.600 0.186 0.000 1.049 582 K CA 1.700 58.099 56.287 0.186 0.000 0.931 582 K CB -0.288 32.275 32.500 0.104 0.000 0.714 582 K HN 0.899 nan 8.250 nan 0.000 0.440 583 E N -0.189 120.103 120.200 0.153 0.000 2.049 583 E HA -0.250 4.098 4.350 -0.003 0.000 0.198 583 E C 1.881 178.547 176.600 0.111 0.000 1.007 583 E CA 1.546 58.013 56.400 0.111 0.000 0.809 583 E CB -0.263 29.494 29.700 0.095 0.000 0.749 583 E HN 0.378 nan 8.360 nan 0.000 0.450 584 F N -0.540 119.420 119.950 0.015 0.000 2.113 584 F HA -0.125 4.400 4.527 -0.003 0.000 0.297 584 F C 1.602 177.279 175.800 -0.206 0.000 1.103 584 F CA 1.572 59.507 58.000 -0.110 0.000 1.248 584 F CB -0.297 38.616 39.000 -0.145 0.000 0.999 584 F HN 0.091 nan 8.300 nan 0.000 0.475 585 W N 0.710 122.116 121.300 0.177 0.000 2.519 585 W HA -0.074 4.585 4.660 -0.003 0.000 0.266 585 W C 2.183 178.688 176.519 -0.023 0.000 1.253 585 W CA 0.856 58.245 57.345 0.072 0.000 1.274 585 W CB -0.470 29.058 29.460 0.114 0.000 1.114 585 W HN -0.024 nan 8.180 nan 0.000 0.596 586 D N 0.643 121.121 120.400 0.129 0.000 2.084 586 D HA -0.199 4.439 4.640 -0.003 0.000 0.194 586 D C 2.069 178.345 176.300 -0.040 0.000 0.990 586 D CA 1.852 55.884 54.000 0.054 0.000 0.826 586 D CB -0.285 40.539 40.800 0.040 0.000 0.971 586 D HN 0.264 nan 8.370 nan 0.000 0.453 587 K N 0.482 120.793 120.400 -0.149 0.000 2.211 587 K HA -0.123 4.196 4.320 -0.003 0.000 0.203 587 K C 1.887 178.308 176.600 -0.299 0.000 1.050 587 K CA 1.069 57.223 56.287 -0.222 0.000 0.945 587 K CB 0.010 32.343 32.500 -0.277 0.000 0.732 587 K HN -0.095 nan 8.250 nan 0.000 0.451 588 E N 1.453 121.391 120.200 -0.437 0.000 2.015 588 E HA -0.148 4.201 4.350 -0.003 0.000 0.191 588 E C 1.966 178.504 176.600 -0.104 0.000 0.991 588 E CA 1.276 57.408 56.400 -0.447 0.000 0.802 588 E CB -0.463 28.750 29.700 -0.813 0.000 0.759 588 E HN 0.134 nan 8.360 nan 0.000 0.447 589 V N 0.727 120.680 119.914 0.066 0.000 2.490 589 V HA -0.240 3.879 4.120 -0.003 0.000 0.250 589 V C 2.190 178.349 176.094 0.109 0.000 1.061 589 V CA 2.506 64.909 62.300 0.171 0.000 1.064 589 V CB -0.349 31.599 31.823 0.207 0.000 0.670 589 V HN 0.406 nan 8.190 nan 0.000 0.461 590 E N -0.470 119.755 120.200 0.041 0.000 2.051 590 E HA -0.284 4.065 4.350 -0.003 0.000 0.192 590 E C 2.082 178.706 176.600 0.040 0.000 0.991 590 E CA 1.618 58.034 56.400 0.028 0.000 0.799 590 E CB -0.328 29.367 29.700 -0.010 0.000 0.748 590 E HN 0.782 nan 8.360 nan 0.000 0.449 591 D N 0.235 120.643 120.400 0.014 0.000 2.144 591 D HA -0.154 4.485 4.640 -0.003 0.000 0.200 591 D C 2.103 178.502 176.300 0.165 0.000 0.978 591 D CA 0.854 54.888 54.000 0.056 0.000 0.833 591 D CB -0.025 40.763 40.800 -0.020 0.000 0.961 591 D HN 0.276 nan 8.370 nan 0.000 0.470 592 I N 0.858 121.532 120.570 0.174 0.000 2.163 592 I HA -0.210 3.959 4.170 -0.003 0.000 0.240 592 I C 2.660 178.928 176.117 0.252 0.000 1.081 592 I CA 1.069 62.534 61.300 0.276 0.000 1.353 592 I CB -0.295 37.869 38.000 0.274 0.000 1.054 592 I HN 0.070 nan 8.210 nan 0.000 0.407 593 E N 1.533 121.851 120.200 0.197 0.000 2.049 593 E HA -0.357 3.992 4.350 -0.003 0.000 0.198 593 E C 2.160 178.816 176.600 0.094 0.000 1.007 593 E CA 2.086 58.571 56.400 0.141 0.000 0.809 593 E CB -0.076 29.684 29.700 0.099 0.000 0.749 593 E HN 0.282 nan 8.360 nan 0.000 0.450 594 K N -0.425 120.027 120.400 0.086 0.000 2.032 594 K HA -0.261 4.057 4.320 -0.003 0.000 0.209 594 K C 2.197 178.824 176.600 0.045 0.000 1.048 594 K CA 1.745 58.065 56.287 0.055 0.000 0.927 594 K CB -0.622 31.912 32.500 0.056 0.000 0.712 594 K HN 0.303 nan 8.250 nan 0.000 0.441 595 Y N 1.047 121.301 120.300 -0.077 0.000 2.114 595 Y HA -0.159 4.390 4.550 -0.003 0.000 0.284 595 Y C 1.638 177.459 175.900 -0.131 0.000 1.143 595 Y CA 1.857 59.831 58.100 -0.210 0.000 1.135 595 Y CB -0.263 37.831 38.460 -0.609 0.000 0.980 595 Y HN 0.039 nan 8.280 nan 0.000 0.499 596 L N -1.162 119.958 121.223 -0.171 0.000 2.056 596 L HA -0.195 4.144 4.340 -0.003 0.000 0.207 596 L C 2.377 179.158 176.870 -0.148 0.000 1.078 596 L CA 1.118 55.847 54.840 -0.185 0.000 0.749 596 L CB -0.739 41.356 42.059 0.060 0.000 0.901 596 L HN 0.132 nan 8.230 nan 0.000 0.433 597 V N -0.221 119.649 119.914 -0.073 0.000 2.358 597 V HA -0.299 3.820 4.120 -0.003 0.000 0.246 597 V C 1.943 177.986 176.094 -0.085 0.000 1.047 597 V CA 2.110 64.375 62.300 -0.058 0.000 1.035 597 V CB -0.388 31.422 31.823 -0.021 0.000 0.658 597 V HN 0.402 nan 8.190 nan 0.000 0.452 598 D N -1.176 119.165 120.400 -0.099 0.000 2.103 598 D HA -0.136 4.502 4.640 -0.003 0.000 0.199 598 D C 2.394 178.615 176.300 -0.133 0.000 0.978 598 D CA 0.849 54.793 54.000 -0.093 0.000 0.829 598 D CB 0.016 40.776 40.800 -0.066 0.000 0.981 598 D HN 0.257 nan 8.370 nan 0.000 0.464 599 Q N -0.256 119.403 119.800 -0.235 0.000 2.187 599 Q HA -0.013 4.326 4.340 -0.003 0.000 0.199 599 Q C 2.116 178.003 176.000 -0.189 0.000 0.957 599 Q CA 0.693 56.339 55.803 -0.261 0.000 0.857 599 Q CB 0.323 28.751 28.738 -0.516 0.000 0.929 599 Q HN 0.286 nan 8.270 nan 0.000 0.453 600 V N 0.470 120.276 119.914 -0.181 0.000 3.125 600 V HA -0.022 4.097 4.120 -0.003 0.000 0.249 600 V C 1.174 177.204 176.094 -0.107 0.000 1.113 600 V CA 0.503 62.727 62.300 -0.127 0.000 1.106 600 V CB -0.420 31.319 31.823 -0.140 0.000 0.768 600 V HN 0.306 nan 8.190 nan 0.000 0.468 601 N N 1.213 119.855 118.700 -0.097 0.000 1.156 601 N HA -0.394 4.344 4.740 -0.003 0.000 0.125 601 N C 1.303 176.774 175.510 -0.064 0.000 0.726 601 N CA 2.466 55.472 53.050 -0.073 0.000 0.887 601 N CB -1.386 37.058 38.487 -0.070 0.000 1.163 601 N HN 0.387 nan 8.380 nan 0.000 0.564 602 A N -0.410 122.375 122.820 -0.059 0.000 2.125 602 A HA -0.101 4.218 4.320 -0.003 0.000 0.219 602 A C 1.291 178.842 177.584 -0.055 0.000 1.156 602 A CA 2.083 54.090 52.037 -0.051 0.000 0.671 602 A CB -0.373 18.598 19.000 -0.048 0.000 0.794 602 A HN 0.596 nan 8.150 nan 0.000 0.459 603 D N -1.021 119.337 120.400 -0.071 0.000 2.339 603 D HA 0.099 4.737 4.640 -0.003 0.000 0.217 603 D C 0.096 176.339 176.300 -0.095 0.000 1.050 603 D CA -0.114 53.839 54.000 -0.078 0.000 0.856 603 D CB 0.053 40.799 40.800 -0.090 0.000 0.922 603 D HN 0.336 nan 8.370 nan 0.000 0.518 604 L N 2.838 124.007 121.223 -0.089 0.000 2.500 604 L HA 0.192 4.530 4.340 -0.003 0.000 0.272 604 L C -2.336 174.504 176.870 -0.051 0.000 1.149 604 L CA -1.228 53.559 54.840 -0.088 0.000 0.897 604 L CB 0.274 42.294 42.059 -0.065 0.000 1.178 604 L HN -0.278 nan 8.230 nan 0.000 0.473 605 P HA 0.044 nan 4.420 nan 0.000 0.268 605 P C 0.801 178.107 177.300 0.010 0.000 1.204 605 P CA -0.278 62.817 63.100 -0.007 0.000 0.768 605 P CB 0.399 32.105 31.700 0.011 0.000 0.842 606 C N 1.794 121.102 119.300 0.013 0.000 2.410 606 C HA -0.118 4.340 4.460 -0.003 0.000 0.281 606 C C 1.964 176.969 174.990 0.024 0.000 1.318 606 C CA 0.566 59.592 59.018 0.014 0.000 1.776 606 C CB -1.660 26.087 27.740 0.011 0.000 1.942 606 C HN 0.583 nan 8.230 nan 0.000 0.508 607 E N 0.881 121.107 120.200 0.043 0.000 2.110 607 E HA -0.114 4.234 4.350 -0.003 0.000 0.193 607 E C 2.197 178.831 176.600 0.057 0.000 0.988 607 E CA 1.313 57.749 56.400 0.060 0.000 0.804 607 E CB -0.028 29.731 29.700 0.098 0.000 0.745 607 E HN 0.651 nan 8.360 nan 0.000 0.458 608 I N 1.145 121.755 120.570 0.067 0.000 2.252 608 I HA -0.201 3.967 4.170 -0.003 0.000 0.245 608 I C 2.033 178.174 176.117 0.041 0.000 1.102 608 I CA 1.328 62.685 61.300 0.096 0.000 1.385 608 I CB -1.080 36.987 38.000 0.112 0.000 1.064 608 I HN 0.155 nan 8.210 nan 0.000 0.414 609 E N 0.749 120.962 120.200 0.021 0.000 2.097 609 E HA -0.220 4.129 4.350 -0.003 0.000 0.196 609 E C 2.332 178.911 176.600 -0.036 0.000 1.000 609 E CA 1.137 57.536 56.400 -0.002 0.000 0.804 609 E CB -0.081 29.618 29.700 -0.002 0.000 0.740 609 E HN 0.446 nan 8.360 nan 0.000 0.454 610 R N 0.581 121.060 120.500 -0.035 0.000 2.092 610 R HA -0.096 4.242 4.340 -0.003 0.000 0.231 610 R C 2.048 178.275 176.300 -0.121 0.000 1.119 610 R CA 0.815 56.882 56.100 -0.056 0.000 0.970 610 R CB -0.150 30.134 30.300 -0.025 0.000 0.864 610 R HN 0.185 nan 8.270 nan 0.000 0.440 611 E N 0.966 121.061 120.200 -0.174 0.000 2.107 611 E HA -0.077 4.271 4.350 -0.003 0.000 0.191 611 E C 2.159 178.393 176.600 -0.609 0.000 0.982 611 E CA 0.698 56.869 56.400 -0.381 0.000 0.809 611 E CB -0.167 29.285 29.700 -0.414 0.000 0.756 611 E HN 0.345 nan 8.360 nan 0.000 0.459 612 I N 0.796 121.089 120.570 -0.461 0.000 2.099 612 I HA -0.302 3.866 4.170 -0.003 0.000 0.239 612 I C 2.572 178.593 176.117 -0.160 0.000 1.066 612 I CA 0.954 62.092 61.300 -0.271 0.000 1.324 612 I CB -0.348 37.637 38.000 -0.025 0.000 1.037 612 I HN 0.099 nan 8.210 nan 0.000 0.401 613 L N 1.124 122.280 121.223 -0.113 0.000 2.046 613 L HA -0.177 4.161 4.340 -0.003 0.000 0.208 613 L C 2.564 179.379 176.870 -0.093 0.000 1.077 613 L CA 2.119 56.915 54.840 -0.074 0.000 0.747 613 L CB -0.672 41.355 42.059 -0.053 0.000 0.896 613 L HN 0.211 nan 8.230 nan 0.000 0.432 614 A N -0.644 122.095 122.820 -0.135 0.000 1.877 614 A HA -0.217 4.101 4.320 -0.003 0.000 0.216 614 A C 2.229 179.723 177.584 -0.149 0.000 1.186 614 A CA 1.958 53.911 52.037 -0.139 0.000 0.620 614 A CB -1.066 17.835 19.000 -0.165 0.000 0.822 614 A HN 0.487 nan 8.150 nan 0.000 0.443 615 L N -0.276 120.837 121.223 -0.185 0.000 2.046 615 L HA -0.118 4.220 4.340 -0.003 0.000 0.208 615 L C 2.177 179.021 176.870 -0.044 0.000 1.077 615 L CA 2.561 57.330 54.840 -0.118 0.000 0.747 615 L CB -0.720 41.302 42.059 -0.061 0.000 0.896 615 L HN 0.395 nan 8.230 nan 0.000 0.432 616 K N -0.928 119.454 120.400 -0.030 0.000 2.009 616 K HA -0.232 4.086 4.320 -0.003 0.000 0.210 616 K C 2.162 178.754 176.600 -0.013 0.000 1.049 616 K CA 2.084 58.373 56.287 0.002 0.000 0.929 616 K CB -0.151 32.350 32.500 0.001 0.000 0.714 616 K HN 0.491 nan 8.250 nan 0.000 0.440 617 Q N -0.104 119.674 119.800 -0.036 0.000 2.002 617 Q HA -0.184 4.155 4.340 -0.003 0.000 0.204 617 Q C 2.168 178.144 176.000 -0.041 0.000 0.988 617 Q CA 1.819 57.600 55.803 -0.037 0.000 0.843 617 Q CB -0.123 28.588 28.738 -0.046 0.000 0.908 617 Q HN 0.230 nan 8.270 nan 0.000 0.420 618 R N 0.203 120.663 120.500 -0.065 0.000 2.117 618 R HA -0.162 4.176 4.340 -0.003 0.000 0.243 618 R C 2.205 178.470 176.300 -0.058 0.000 1.143 618 R CA 1.356 57.410 56.100 -0.077 0.000 0.968 618 R CB -0.416 29.810 30.300 -0.123 0.000 0.863 618 R HN 0.353 nan 8.270 nan 0.000 0.444 619 I N 0.764 121.313 120.570 -0.035 0.000 2.614 619 I HA -0.208 3.960 4.170 -0.003 0.000 0.258 619 I C 2.393 178.516 176.117 0.011 0.000 1.189 619 I CA 1.154 62.454 61.300 -0.000 0.000 1.462 619 I CB -0.329 37.705 38.000 0.057 0.000 1.092 619 I HN 0.242 nan 8.210 nan 0.000 0.442 620 S N 0.039 115.740 115.700 0.002 0.000 2.428 620 S HA -0.169 4.299 4.470 -0.003 0.000 0.230 620 S C 1.604 176.204 174.600 0.001 0.000 1.014 620 S CA 0.582 58.785 58.200 0.006 0.000 0.957 620 S CB -0.220 62.980 63.200 0.000 0.000 0.784 620 S HN 0.349 nan 8.310 nan 0.000 0.499 621 Q N 1.426 121.220 119.800 -0.009 0.000 2.297 621 Q HA 0.467 4.805 4.340 -0.003 0.000 0.265 621 Q C 0.078 176.073 176.000 -0.008 0.000 0.904 621 Q CA -0.169 55.629 55.803 -0.009 0.000 0.969 621 Q CB 0.186 28.914 28.738 -0.016 0.000 1.115 621 Q HN 0.871 nan 8.270 nan 0.000 0.433 622 M N 0.000 119.600 119.600 -0.000 0.000 2.572 622 M HA 0.000 4.478 4.480 -0.003 0.000 0.227 622 M CA 0.000 55.302 55.300 0.003 0.000 0.988 622 M CB 0.000 32.598 32.600 -0.004 0.000 1.302 622 M HN 0.000 nan 8.290 nan 0.000 0.411