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 1dkp_1_A DATA FIRST_RESID 1 DATA SEQUENCE QSEPELKLES VVIVSRAGVR APTKATQLMQ DVTPDAWPTW PVKLGWLTPR DATA SEQUENCE GGELIAYLGH YQRQRLVADG LLAKKGcPQS GQVAIIADVD ERTRKTGEAF DATA SEQUENCE AAGLAPDcAI TVHTQTDTSS PDPLFNPLKT GVcQLDNANV TDAILSRAGG DATA SEQUENCE SIADFTGHRQ TAFRELERVL NFPQSNLcLK REKQDEScSL TQALPSELKV DATA SEQUENCE SADNVSLTGA VSLASMLTEI FLLQQAQGMP EPGWGRITDS HQWNTLLSLH DATA SEQUENCE NAQFYLLQRT PEVARSRATP LLDLIKTALT PHPPQKQAYG VTLPTSVLFI DATA SEQUENCE AGHDTNLANL GGALELNWTL PGQPDNTPPG GELVFERWRR LSDNSQWIQV DATA SEQUENCE SLVFQTLQQM RDKTPLSLNT PPGEVKLTLA GcEERNAQGM cSLAGFTQIV DATA SEQUENCE NEARIPAcSL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 Q HA 0.000 nan 4.340 nan 0.000 0.214 1 Q C 0.000 175.998 176.000 -0.003 0.000 1.003 1 Q CA 0.000 55.801 55.803 -0.003 0.000 1.022 1 Q CB 0.000 28.737 28.738 -0.002 0.000 1.108 2 S N 1.967 117.663 115.700 -0.006 0.000 2.546 2 S HA 0.167 4.637 4.470 0.001 0.000 0.290 2 S C 0.060 174.657 174.600 -0.004 0.000 1.290 2 S CA 0.302 58.498 58.200 -0.007 0.000 1.069 2 S CB 0.434 63.627 63.200 -0.012 0.000 0.846 2 S HN 0.560 nan 8.310 nan 0.000 0.495 3 E N 2.454 122.654 120.200 -0.002 0.000 2.202 3 E HA 0.508 4.859 4.350 0.001 0.000 0.272 3 E C -2.541 174.062 176.600 0.005 0.000 0.951 3 E CA -2.096 54.308 56.400 0.005 0.000 0.813 3 E CB 0.479 30.185 29.700 0.010 0.000 1.151 3 E HN 0.246 nan 8.360 nan 0.000 0.398 4 P HA 0.075 nan 4.420 nan 0.000 0.268 4 P C -0.440 176.873 177.300 0.021 0.000 1.204 4 P CA 0.161 63.271 63.100 0.017 0.000 0.768 4 P CB 0.604 32.338 31.700 0.056 0.000 0.842 5 E N 2.048 122.244 120.200 -0.007 0.000 2.478 5 E HA 0.064 4.414 4.350 0.001 0.000 0.194 5 E C -0.058 176.559 176.600 0.028 0.000 1.045 5 E CA 0.244 56.642 56.400 -0.004 0.000 0.868 5 E CB 0.098 29.771 29.700 -0.044 0.000 0.885 5 E HN 0.161 nan 8.360 nan 0.000 0.505 6 L N 1.537 122.794 121.223 0.057 0.000 2.362 6 L HA 0.474 4.815 4.340 0.001 0.000 0.271 6 L C -0.523 176.568 176.870 0.368 0.000 1.002 6 L CA -0.699 54.253 54.840 0.186 0.000 0.818 6 L CB 1.761 43.865 42.059 0.076 0.000 1.298 6 L HN 0.019 nan 8.230 nan 0.000 0.420 7 K N 3.154 123.786 120.400 0.386 0.000 2.413 7 K HA 0.430 4.750 4.320 0.001 0.000 0.257 7 K C -0.984 175.672 176.600 0.093 0.000 0.946 7 K CA -0.642 55.795 56.287 0.250 0.000 0.823 7 K CB 1.800 34.372 32.500 0.120 0.000 1.109 7 K HN 0.561 nan 8.250 nan 0.000 0.427 8 L N 4.758 125.795 121.223 -0.309 0.000 2.462 8 L HA 0.040 4.381 4.340 0.001 0.000 0.272 8 L C 0.732 177.374 176.870 -0.380 0.000 1.166 8 L CA 0.685 55.018 54.840 -0.846 0.000 0.880 8 L CB 0.535 41.958 42.059 -1.061 0.000 1.142 8 L HN 0.868 nan 8.230 nan 0.000 0.473 9 E N 1.736 121.751 120.200 -0.308 0.000 2.485 9 E HA 0.116 4.467 4.350 0.001 0.000 0.213 9 E C -0.192 176.322 176.600 -0.143 0.000 0.923 9 E CA 0.011 56.317 56.400 -0.156 0.000 1.054 9 E CB 1.241 30.899 29.700 -0.070 0.000 1.077 9 E HN 0.481 nan 8.360 nan 0.000 0.509 10 S N 0.349 115.938 115.700 -0.185 0.000 2.542 10 S HA 0.396 4.867 4.470 0.001 0.000 0.276 10 S C -1.625 172.903 174.600 -0.119 0.000 1.148 10 S CA -0.587 57.543 58.200 -0.116 0.000 0.886 10 S CB 1.777 64.940 63.200 -0.061 0.000 1.109 10 S HN -0.065 nan 8.310 nan 0.000 0.458 11 V N 3.722 123.600 119.914 -0.061 0.000 2.709 11 V HA 0.715 4.835 4.120 0.001 0.000 0.308 11 V C -0.865 175.253 176.094 0.039 0.000 1.062 11 V CA -0.606 61.686 62.300 -0.014 0.000 0.901 11 V CB 1.953 33.770 31.823 -0.009 0.000 1.003 11 V HN 0.699 nan 8.190 nan 0.000 0.425 12 V N 5.893 125.857 119.914 0.084 0.000 2.482 12 V HA 0.532 4.653 4.120 0.001 0.000 0.295 12 V C -0.532 175.642 176.094 0.134 0.000 1.026 12 V CA -0.303 62.048 62.300 0.085 0.000 0.856 12 V CB 1.815 33.668 31.823 0.049 0.000 1.001 12 V HN 0.709 nan 8.190 nan 0.000 0.424 13 I N 5.184 125.770 120.570 0.027 0.000 2.355 13 I HA 0.441 4.612 4.170 0.001 0.000 0.288 13 I C -0.481 175.478 176.117 -0.263 0.000 0.999 13 I CA -0.823 60.437 61.300 -0.067 0.000 1.163 13 I CB 2.001 39.950 38.000 -0.085 0.000 1.316 13 I HN 0.257 nan 8.210 nan 0.000 0.454 14 V N 5.348 125.188 119.914 -0.124 0.000 2.333 14 V HA 0.283 4.403 4.120 0.001 0.000 0.274 14 V C 0.237 176.194 176.094 -0.227 0.000 1.028 14 V CA -0.180 62.022 62.300 -0.163 0.000 0.851 14 V CB 1.259 33.110 31.823 0.047 0.000 1.000 14 V HN 0.793 nan 8.190 nan 0.000 0.456 15 S N 5.675 121.122 115.700 -0.420 0.000 2.501 15 S HA 0.641 5.111 4.470 0.001 0.000 0.301 15 S C -0.238 174.268 174.600 -0.157 0.000 1.096 15 S CA -0.821 57.198 58.200 -0.301 0.000 1.063 15 S CB 1.369 64.289 63.200 -0.467 0.000 1.042 15 S HN 0.803 nan 8.310 nan 0.000 0.494 16 R N 2.349 122.822 120.500 -0.045 0.000 2.528 16 R HA 0.654 4.994 4.340 0.001 0.000 0.271 16 R C 0.360 176.651 176.300 -0.015 0.000 1.056 16 R CA -0.295 55.798 56.100 -0.011 0.000 1.117 16 R CB 0.582 30.915 30.300 0.055 0.000 1.085 16 R HN 0.786 nan 8.270 nan 0.000 0.530 17 A N 1.730 124.526 122.820 -0.040 0.000 2.429 17 A HA 0.354 4.674 4.320 0.001 0.000 0.242 17 A C 0.459 178.066 177.584 0.038 0.000 1.088 17 A CA 0.241 52.268 52.037 -0.017 0.000 0.784 17 A CB 0.036 19.012 19.000 -0.040 0.000 1.038 17 A HN 0.882 nan 8.150 nan 0.000 0.501 18 G N -1.225 107.606 108.800 0.051 0.000 2.525 18 G HA2 0.457 4.417 3.960 0.001 0.000 0.287 18 G HA3 0.457 4.417 3.960 0.001 0.000 0.287 18 G C -0.057 174.878 174.900 0.059 0.000 1.350 18 G CA -0.398 44.742 45.100 0.066 0.000 1.039 18 G HN 0.948 nan 8.290 nan 0.000 0.513 19 V N 0.571 120.531 119.914 0.076 0.000 2.681 19 V HA 0.188 4.309 4.120 0.001 0.000 0.306 19 V C 0.788 176.933 176.094 0.086 0.000 1.077 19 V CA 0.785 63.142 62.300 0.095 0.000 1.224 19 V CB -0.507 31.405 31.823 0.149 0.000 0.879 19 V HN 0.949 nan 8.190 nan 0.000 0.494 20 R N 3.929 124.433 120.500 0.007 0.000 2.817 20 R HA 0.872 5.213 4.340 0.001 0.000 0.268 20 R C -0.657 175.377 176.300 -0.444 0.000 1.027 20 R CA -0.755 55.304 56.100 -0.068 0.000 0.928 20 R CB 1.720 31.994 30.300 -0.044 0.000 1.228 20 R HN 0.639 nan 8.270 nan 0.000 0.469 21 A N 1.876 124.404 122.820 -0.488 0.000 2.351 21 A HA 0.469 4.789 4.320 0.001 0.000 0.257 21 A C -2.055 175.051 177.584 -0.796 0.000 1.087 21 A CA -1.648 49.730 52.037 -1.099 0.000 0.798 21 A CB -0.265 18.458 19.000 -0.462 0.000 1.033 21 A HN 0.623 nan 8.150 nan 0.000 0.488 22 P HA -0.039 nan 4.420 nan 0.000 0.267 22 P C 0.942 178.057 177.300 -0.307 0.000 1.201 22 P CA 0.735 63.542 63.100 -0.489 0.000 0.775 22 P CB 0.273 31.701 31.700 -0.453 0.000 0.854 23 T N -1.016 113.418 114.554 -0.200 0.000 3.055 23 T HA -0.019 4.332 4.350 0.001 0.000 0.265 23 T C 0.717 175.349 174.700 -0.113 0.000 1.111 23 T CA 0.667 62.696 62.100 -0.118 0.000 1.118 23 T CB -0.238 68.589 68.868 -0.069 0.000 0.909 23 T HN 0.612 nan 8.240 nan 0.000 0.501 24 K N -0.339 119.972 120.400 -0.148 0.000 2.533 24 K HA 0.745 5.065 4.320 0.001 0.000 0.272 24 K C -1.866 174.635 176.600 -0.166 0.000 0.985 24 K CA -1.298 54.912 56.287 -0.127 0.000 0.876 24 K CB 1.956 34.398 32.500 -0.097 0.000 1.452 24 K HN -0.042 nan 8.250 nan 0.000 0.439 25 A N 1.400 124.147 122.820 -0.122 0.000 2.984 25 A HA 0.338 4.659 4.320 0.001 0.000 0.320 25 A C -0.336 177.209 177.584 -0.065 0.000 1.142 25 A CA -0.543 51.421 52.037 -0.121 0.000 0.772 25 A CB 0.197 19.157 19.000 -0.067 0.000 1.195 25 A HN 0.771 nan 8.150 nan 0.000 0.459 26 T N -1.631 112.881 114.554 -0.070 0.000 2.862 26 T HA 0.388 4.739 4.350 0.001 0.000 0.276 26 T C 1.031 175.743 174.700 0.020 0.000 0.974 26 T CA -0.056 62.031 62.100 -0.021 0.000 0.966 26 T CB 1.097 69.952 68.868 -0.021 0.000 1.072 26 T HN 0.305 nan 8.240 nan 0.000 0.538 27 Q N -0.293 119.530 119.800 0.038 0.000 2.123 27 Q HA 0.091 4.431 4.340 0.001 0.000 0.199 27 Q C 1.963 178.017 176.000 0.091 0.000 0.966 27 Q CA 1.292 57.134 55.803 0.066 0.000 0.845 27 Q CB -0.784 27.986 28.738 0.053 0.000 0.907 27 Q HN 0.761 nan 8.270 nan 0.000 0.439 28 L N -0.577 120.692 121.223 0.077 0.000 2.079 28 L HA -0.179 4.162 4.340 0.001 0.000 0.210 28 L C 2.080 179.039 176.870 0.148 0.000 1.081 28 L CA 1.326 56.228 54.840 0.102 0.000 0.752 28 L CB -0.114 41.991 42.059 0.076 0.000 0.896 28 L HN 0.391 nan 8.230 nan 0.000 0.433 29 M N -1.053 118.614 119.600 0.111 0.000 2.279 29 M HA -0.242 4.239 4.480 0.001 0.000 0.264 29 M C 2.085 178.647 176.300 0.437 0.000 1.062 29 M CA 1.545 56.938 55.300 0.155 0.000 1.099 29 M CB -0.111 32.404 32.600 -0.142 0.000 1.394 29 M HN 0.258 nan 8.290 nan 0.000 0.426 30 Q N 0.358 120.356 119.800 0.330 0.000 2.302 30 Q HA -0.083 4.258 4.340 0.001 0.000 0.202 30 Q C 1.079 177.235 176.000 0.261 0.000 0.936 30 Q CA 1.246 57.274 55.803 0.374 0.000 0.886 30 Q CB 0.144 29.039 28.738 0.261 0.000 0.986 30 Q HN 0.329 nan 8.270 nan 0.000 0.487 31 D N -0.596 119.931 120.400 0.212 0.000 2.312 31 D HA -0.086 4.555 4.640 0.001 0.000 0.211 31 D C 1.336 177.766 176.300 0.216 0.000 0.964 31 D CA 1.099 55.200 54.000 0.168 0.000 0.877 31 D CB 0.282 41.164 40.800 0.136 0.000 0.924 31 D HN 0.332 nan 8.370 nan 0.000 0.515 32 V N -2.638 117.465 119.914 0.315 0.000 3.633 32 V HA 0.236 4.356 4.120 0.001 0.000 0.283 32 V C 0.618 176.949 176.094 0.396 0.000 1.305 32 V CA 0.118 62.690 62.300 0.453 0.000 1.153 32 V CB -0.145 31.927 31.823 0.416 0.000 0.950 32 V HN -0.003 nan 8.190 nan 0.000 0.432 33 T N 0.620 115.302 114.554 0.213 0.000 3.041 33 T HA 0.503 4.853 4.350 0.001 0.000 0.321 33 T C -2.541 172.092 174.700 -0.112 0.000 1.184 33 T CA -0.624 61.469 62.100 -0.012 0.000 1.050 33 T CB 2.421 71.169 68.868 -0.199 0.000 1.159 33 T HN 0.070 nan 8.240 nan 0.000 0.469 34 P HA 0.172 nan 4.420 nan 0.000 0.235 34 P C -0.091 177.053 177.300 -0.260 0.000 1.177 34 P CA 0.273 63.263 63.100 -0.182 0.000 0.785 34 P CB 0.324 31.919 31.700 -0.175 0.000 0.885 35 D N 0.524 120.617 120.400 -0.511 0.000 2.411 35 D HA 0.358 4.998 4.640 0.001 0.000 0.251 35 D C 0.144 176.262 176.300 -0.304 0.000 1.201 35 D CA -0.144 53.481 54.000 -0.625 0.000 0.996 35 D CB 1.166 41.030 40.800 -1.560 0.000 1.101 35 D HN -0.023 nan 8.370 nan 0.000 0.504 36 A N 0.502 123.308 122.820 -0.022 0.000 2.304 36 A HA 0.374 4.694 4.320 0.001 0.000 0.323 36 A C -1.043 176.804 177.584 0.438 0.000 1.195 36 A CA -0.701 51.461 52.037 0.209 0.000 0.826 36 A CB 0.273 19.382 19.000 0.182 0.000 1.184 36 A HN 0.467 nan 8.150 nan 0.000 0.496 37 W N 3.359 124.938 121.300 0.466 0.000 2.251 37 W HA 0.358 5.019 4.660 0.001 0.000 0.327 37 W C -1.604 175.052 176.519 0.229 0.000 1.361 37 W CA -0.949 56.620 57.345 0.373 0.000 1.234 37 W CB 0.219 29.851 29.460 0.287 0.000 1.212 37 W HN 0.496 nan 8.180 nan 0.000 0.557 38 P HA 0.041 nan 4.420 nan 0.000 0.271 38 P C 0.021 177.443 177.300 0.203 0.000 1.216 38 P CA -0.106 63.090 63.100 0.160 0.000 0.771 38 P CB 0.676 32.368 31.700 -0.013 0.000 0.864 39 T N 0.199 114.837 114.554 0.139 0.000 2.899 39 T HA 0.310 4.661 4.350 0.001 0.000 0.295 39 T C -0.418 174.324 174.700 0.069 0.000 1.033 39 T CA -0.519 61.693 62.100 0.186 0.000 1.084 39 T CB 0.477 69.424 68.868 0.132 0.000 0.979 39 T HN 0.316 nan 8.240 nan 0.000 0.532 40 W N 1.428 122.751 121.300 0.039 0.000 2.578 40 W HA 0.465 5.126 4.660 0.001 0.000 0.353 40 W C -1.200 175.327 176.519 0.014 0.000 1.088 40 W CA -2.134 55.228 57.345 0.028 0.000 1.235 40 W CB 0.744 30.218 29.460 0.023 0.000 1.362 40 W HN 0.537 nan 8.180 nan 0.000 0.592 41 P HA -0.025 nan 4.420 nan 0.000 0.241 41 P C -0.100 177.278 177.300 0.130 0.000 1.191 41 P CA 0.813 63.989 63.100 0.125 0.000 0.771 41 P CB 0.319 32.074 31.700 0.090 0.000 0.929 42 V N -4.150 115.867 119.914 0.171 0.000 3.167 42 V HA 0.530 4.651 4.120 0.001 0.000 0.310 42 V C -0.078 175.984 176.094 -0.053 0.000 1.207 42 V CA -1.737 60.613 62.300 0.084 0.000 1.059 42 V CB 1.747 33.694 31.823 0.206 0.000 1.079 42 V HN -0.285 nan 8.190 nan 0.000 0.446 43 K N 0.963 121.156 120.400 -0.346 0.000 2.286 43 K HA 0.431 4.752 4.320 0.001 0.000 0.256 43 K C -0.364 176.029 176.600 -0.345 0.000 0.999 43 K CA -0.295 55.666 56.287 -0.544 0.000 0.908 43 K CB 0.278 32.032 32.500 -1.242 0.000 0.981 43 K HN 0.566 nan 8.250 nan 0.000 0.500 44 L N 1.286 122.352 121.223 -0.262 0.000 2.525 44 L HA -0.088 4.252 4.340 0.001 0.000 0.278 44 L C 1.500 178.344 176.870 -0.043 0.000 1.218 44 L CA 0.864 55.608 54.840 -0.160 0.000 0.878 44 L CB -0.186 41.795 42.059 -0.131 0.000 1.127 44 L HN 1.062 nan 8.230 nan 0.000 0.492 45 G N 1.241 110.024 108.800 -0.029 0.000 2.189 45 G HA2 -0.262 3.698 3.960 0.001 0.000 0.267 45 G HA3 -0.262 3.698 3.960 0.001 0.000 0.267 45 G C -0.258 174.807 174.900 0.275 0.000 0.975 45 G CA -0.174 44.981 45.100 0.092 0.000 0.644 45 G HN 0.512 nan 8.290 nan 0.000 0.537 46 W N -0.443 120.818 121.300 -0.065 0.000 2.375 46 W HA 0.761 5.421 4.660 0.001 0.000 0.336 46 W C 0.426 176.934 176.519 -0.017 0.000 1.160 46 W CA -1.634 55.695 57.345 -0.026 0.000 1.266 46 W CB 0.498 29.957 29.460 -0.003 0.000 1.195 46 W HN 0.120 nan 8.180 nan 0.000 0.599 47 L N 2.793 124.122 121.223 0.177 0.000 2.410 47 L HA 0.258 4.599 4.340 0.001 0.000 0.273 47 L C 0.967 177.939 176.870 0.169 0.000 1.152 47 L CA 0.303 55.213 54.840 0.116 0.000 0.855 47 L CB 0.176 42.260 42.059 0.041 0.000 1.129 47 L HN 0.489 nan 8.230 nan 0.000 0.463 48 T N 2.836 117.494 114.554 0.173 0.000 2.899 48 T HA 0.399 4.750 4.350 0.001 0.000 0.284 48 T C -1.712 173.059 174.700 0.119 0.000 1.004 48 T CA -1.428 60.785 62.100 0.190 0.000 1.043 48 T CB 1.017 70.040 68.868 0.259 0.000 1.013 48 T HN 0.575 nan 8.240 nan 0.000 0.518 49 P HA -0.158 nan 4.420 nan 0.000 0.218 49 P C 1.474 178.785 177.300 0.020 0.000 1.148 49 P CA 0.978 64.106 63.100 0.047 0.000 0.822 49 P CB 0.096 31.821 31.700 0.041 0.000 0.784 50 R N 0.432 120.956 120.500 0.040 0.000 2.096 50 R HA -0.071 4.270 4.340 0.001 0.000 0.235 50 R C 2.497 178.808 176.300 0.018 0.000 1.127 50 R CA 1.874 57.987 56.100 0.021 0.000 0.968 50 R CB -1.226 29.102 30.300 0.048 0.000 0.861 50 R HN 0.127 nan 8.270 nan 0.000 0.440 51 G N -0.476 108.361 108.800 0.062 0.000 2.422 51 G HA2 -0.216 3.745 3.960 0.001 0.000 0.218 51 G HA3 -0.216 3.745 3.960 0.001 0.000 0.218 51 G C 1.429 176.340 174.900 0.018 0.000 1.146 51 G CA 0.734 45.870 45.100 0.060 0.000 0.769 51 G HN 0.514 nan 8.290 nan 0.000 0.547 52 G N 0.423 109.223 108.800 -0.000 0.000 2.408 52 G HA2 -0.081 3.880 3.960 0.001 0.000 0.217 52 G HA3 -0.081 3.880 3.960 0.001 0.000 0.217 52 G C 1.591 176.428 174.900 -0.106 0.000 1.150 52 G CA 0.975 46.056 45.100 -0.031 0.000 0.776 52 G HN 0.515 nan 8.290 nan 0.000 0.542 53 E N 0.031 120.133 120.200 -0.164 0.000 2.077 53 E HA -0.043 4.308 4.350 0.001 0.000 0.193 53 E C 2.567 178.839 176.600 -0.548 0.000 0.989 53 E CA 0.517 56.690 56.400 -0.378 0.000 0.800 53 E CB -0.189 29.302 29.700 -0.348 0.000 0.746 53 E HN 0.367 nan 8.360 nan 0.000 0.452 54 L N 0.836 121.910 121.223 -0.248 0.000 2.042 54 L HA -0.215 4.126 4.340 0.001 0.000 0.210 54 L C 2.400 179.280 176.870 0.017 0.000 1.076 54 L CA 0.642 55.449 54.840 -0.056 0.000 0.749 54 L CB -0.367 41.727 42.059 0.059 0.000 0.893 54 L HN 0.223 nan 8.230 nan 0.000 0.432 55 I N 0.153 120.733 120.570 0.016 0.000 2.252 55 I HA -0.234 3.937 4.170 0.001 0.000 0.245 55 I C 2.863 179.024 176.117 0.073 0.000 1.102 55 I CA 1.520 62.884 61.300 0.106 0.000 1.385 55 I CB -1.504 36.566 38.000 0.116 0.000 1.064 55 I HN 0.182 nan 8.210 nan 0.000 0.414 56 A N 0.381 123.158 122.820 -0.072 0.000 1.940 56 A HA -0.247 4.074 4.320 0.001 0.000 0.219 56 A C 2.194 179.779 177.584 0.000 0.000 1.176 56 A CA 1.503 53.469 52.037 -0.117 0.000 0.631 56 A CB -0.927 17.942 19.000 -0.217 0.000 0.814 56 A HN 0.348 nan 8.150 nan 0.000 0.446 57 Y N -0.098 120.222 120.300 0.033 0.000 2.181 57 Y HA -0.133 4.417 4.550 0.001 0.000 0.288 57 Y C 2.224 178.202 175.900 0.129 0.000 1.146 57 Y CA 0.929 59.069 58.100 0.067 0.000 1.164 57 Y CB -0.933 37.552 38.460 0.041 0.000 0.982 57 Y HN 0.204 nan 8.280 nan 0.000 0.515 58 L N -1.103 120.300 121.223 0.300 0.000 2.083 58 L HA -0.153 4.187 4.340 0.001 0.000 0.209 58 L C 2.634 179.660 176.870 0.259 0.000 1.083 58 L CA 1.273 56.304 54.840 0.318 0.000 0.752 58 L CB -1.045 41.221 42.059 0.345 0.000 0.899 58 L HN 0.288 nan 8.230 nan 0.000 0.433 59 G N -1.326 107.469 108.800 -0.008 0.000 2.402 59 G HA2 -0.330 3.630 3.960 0.001 0.000 0.216 59 G HA3 -0.330 3.630 3.960 0.001 0.000 0.216 59 G C 1.354 176.077 174.900 -0.296 0.000 1.162 59 G CA 0.906 45.614 45.100 -0.655 0.000 0.777 59 G HN 0.384 nan 8.290 nan 0.000 0.539 60 H N -0.881 118.113 119.070 -0.126 0.000 2.321 60 H HA -0.130 4.427 4.556 0.001 0.000 0.300 60 H C 2.119 177.436 175.328 -0.019 0.000 1.087 60 H CA 1.779 57.794 56.048 -0.056 0.000 1.319 60 H CB -0.420 29.371 29.762 0.048 0.000 1.379 60 H HN 0.353 nan 8.280 nan 0.000 0.501 61 Y N 1.038 121.330 120.300 -0.013 0.000 2.097 61 Y HA -0.270 4.281 4.550 0.001 0.000 0.282 61 Y C 2.381 178.237 175.900 -0.074 0.000 1.152 61 Y CA 2.072 60.141 58.100 -0.052 0.000 1.136 61 Y CB -0.373 38.101 38.460 0.023 0.000 0.975 61 Y HN 0.245 nan 8.280 nan 0.000 0.498 62 Q N 0.161 119.885 119.800 -0.128 0.000 2.135 62 Q HA -0.238 4.102 4.340 0.001 0.000 0.204 62 Q C 2.357 178.211 176.000 -0.242 0.000 0.981 62 Q CA 1.840 57.550 55.803 -0.155 0.000 0.856 62 Q CB -0.490 28.356 28.738 0.180 0.000 0.902 62 Q HN 0.370 nan 8.270 nan 0.000 0.425 63 R N 1.190 121.527 120.500 -0.272 0.000 2.073 63 R HA -0.110 4.231 4.340 0.001 0.000 0.234 63 R C 2.074 178.206 176.300 -0.280 0.000 1.134 63 R CA 1.727 57.673 56.100 -0.256 0.000 0.952 63 R CB -0.336 29.803 30.300 -0.269 0.000 0.850 63 R HN 0.330 nan 8.270 nan 0.000 0.433 64 Q N -0.335 119.241 119.800 -0.374 0.000 2.050 64 Q HA -0.145 4.196 4.340 0.001 0.000 0.202 64 Q C 2.163 177.982 176.000 -0.302 0.000 0.980 64 Q CA 1.272 56.880 55.803 -0.326 0.000 0.840 64 Q CB -0.301 28.233 28.738 -0.341 0.000 0.898 64 Q HN 0.186 nan 8.270 nan 0.000 0.424 65 R N 0.862 121.091 120.500 -0.452 0.000 2.080 65 R HA -0.155 4.186 4.340 0.001 0.000 0.236 65 R C 2.088 178.270 176.300 -0.197 0.000 1.137 65 R CA 1.301 57.174 56.100 -0.378 0.000 0.943 65 R CB -0.457 29.492 30.300 -0.585 0.000 0.846 65 R HN 0.213 nan 8.270 nan 0.000 0.431 66 L N 0.429 121.543 121.223 -0.181 0.000 2.191 66 L HA -0.105 4.236 4.340 0.001 0.000 0.212 66 L C 2.437 179.242 176.870 -0.109 0.000 1.103 66 L CA 0.968 55.734 54.840 -0.123 0.000 0.769 66 L CB -0.772 41.228 42.059 -0.098 0.000 0.908 66 L HN -0.026 nan 8.230 nan 0.000 0.438 67 V N -0.510 119.332 119.914 -0.121 0.000 2.358 67 V HA -0.218 3.903 4.120 0.001 0.000 0.246 67 V C 2.637 178.687 176.094 -0.074 0.000 1.047 67 V CA 1.439 63.681 62.300 -0.096 0.000 1.035 67 V CB -0.919 30.840 31.823 -0.106 0.000 0.658 67 V HN 0.472 nan 8.190 nan 0.000 0.452 68 A N -0.404 122.370 122.820 -0.077 0.000 2.019 68 A HA -0.208 4.113 4.320 0.001 0.000 0.219 68 A C 1.749 179.324 177.584 -0.016 0.000 1.164 68 A CA 1.817 53.828 52.037 -0.043 0.000 0.644 68 A CB -0.400 18.574 19.000 -0.043 0.000 0.805 68 A HN 0.562 nan 8.150 nan 0.000 0.449 69 D N -1.083 119.300 120.400 -0.027 0.000 2.339 69 D HA 0.245 4.885 4.640 0.001 0.000 0.217 69 D C 1.298 177.570 176.300 -0.046 0.000 1.050 69 D CA 0.909 54.903 54.000 -0.011 0.000 0.856 69 D CB -0.066 40.704 40.800 -0.049 0.000 0.922 69 D HN 0.534 nan 8.370 nan 0.000 0.518 70 G N 1.564 110.335 108.800 -0.048 0.000 2.225 70 G HA2 -0.313 3.647 3.960 0.001 0.000 0.267 70 G HA3 -0.313 3.647 3.960 0.001 0.000 0.267 70 G C 0.856 175.717 174.900 -0.065 0.000 1.024 70 G CA 0.624 45.695 45.100 -0.048 0.000 0.784 70 G HN 0.377 nan 8.290 nan 0.000 0.507 71 L N -1.554 119.617 121.223 -0.087 0.000 2.298 71 L HA 0.597 4.938 4.340 0.001 0.000 0.209 71 L C 0.890 177.719 176.870 -0.069 0.000 1.084 71 L CA 0.980 55.765 54.840 -0.092 0.000 0.816 71 L CB 0.074 42.058 42.059 -0.125 0.000 0.967 71 L HN 0.223 nan 8.230 nan 0.000 0.460 72 L N -0.484 120.699 121.223 -0.068 0.000 2.354 72 L HA 0.677 5.018 4.340 0.001 0.000 0.269 72 L C 0.006 176.842 176.870 -0.057 0.000 1.005 72 L CA -0.700 54.104 54.840 -0.059 0.000 0.819 72 L CB 1.276 43.295 42.059 -0.066 0.000 1.311 72 L HN 0.013 nan 8.230 nan 0.000 0.423 73 A N 2.128 124.920 122.820 -0.048 0.000 2.425 73 A HA 0.258 4.579 4.320 0.001 0.000 0.249 73 A C 1.181 178.734 177.584 -0.051 0.000 1.084 73 A CA -0.091 51.920 52.037 -0.043 0.000 0.781 73 A CB 0.112 19.092 19.000 -0.034 0.000 1.019 73 A HN 0.862 nan 8.150 nan 0.000 0.490 74 K N 0.352 120.723 120.400 -0.048 0.000 2.097 74 K HA -0.091 4.230 4.320 0.001 0.000 0.206 74 K C 0.183 176.755 176.600 -0.046 0.000 1.049 74 K CA 1.378 57.633 56.287 -0.054 0.000 0.933 74 K CB -0.077 32.396 32.500 -0.046 0.000 0.717 74 K HN 0.564 nan 8.250 nan 0.000 0.442 75 K N -0.721 119.658 120.400 -0.036 0.000 2.221 75 K HA 0.453 4.774 4.320 0.001 0.000 0.243 75 K C -0.590 175.993 176.600 -0.028 0.000 0.968 75 K CA 0.285 56.554 56.287 -0.029 0.000 0.846 75 K CB 1.856 34.343 32.500 -0.022 0.000 1.141 75 K HN 0.347 nan 8.250 nan 0.000 0.434 76 G N 0.220 109.005 108.800 -0.025 0.000 2.782 76 G HA2 -0.228 3.733 3.960 0.001 0.000 0.228 76 G HA3 -0.228 3.733 3.960 0.001 0.000 0.228 76 G C -0.515 174.369 174.900 -0.027 0.000 1.372 76 G CA -0.632 44.454 45.100 -0.023 0.000 0.862 76 G HN 0.714 nan 8.290 nan 0.000 0.547 77 c N 2.775 121.361 118.600 -0.024 0.000 2.463 77 c HA 0.638 5.209 4.570 0.001 0.000 0.380 77 c C -0.639 173.438 174.090 -0.022 0.000 1.264 77 c CA -0.449 55.865 56.329 -0.025 0.000 2.161 77 c CB 0.619 43.117 42.510 -0.020 0.000 2.515 77 c HN 0.822 nan 8.230 nan 0.000 0.565 78 P HA 0.038 nan 4.420 nan 0.000 0.268 78 P C -0.491 176.803 177.300 -0.010 0.000 1.208 78 P CA 0.209 63.298 63.100 -0.018 0.000 0.777 78 P CB 0.506 32.197 31.700 -0.015 0.000 0.875 79 Q N 0.213 120.007 119.800 -0.010 0.000 2.614 79 Q HA 0.076 4.416 4.340 0.001 0.000 0.244 79 Q C 0.618 176.619 176.000 0.002 0.000 1.097 79 Q CA 0.074 55.874 55.803 -0.006 0.000 0.986 79 Q CB -0.061 28.672 28.738 -0.009 0.000 1.308 79 Q HN 0.431 nan 8.270 nan 0.000 0.546 80 S N -0.355 115.347 115.700 0.004 0.000 2.509 80 S HA 0.267 4.738 4.470 0.001 0.000 0.287 80 S C 0.996 175.605 174.600 0.015 0.000 1.248 80 S CA 0.743 58.951 58.200 0.013 0.000 1.089 80 S CB -0.684 62.523 63.200 0.011 0.000 0.900 80 S HN 0.833 nan 8.310 nan 0.000 0.496 81 G N 3.943 112.760 108.800 0.029 0.000 2.234 81 G HA2 -0.363 3.598 3.960 0.001 0.000 0.260 81 G HA3 -0.363 3.598 3.960 0.001 0.000 0.260 81 G C 0.846 175.757 174.900 0.019 0.000 0.987 81 G CA 0.787 45.903 45.100 0.027 0.000 0.625 81 G HN 0.717 nan 8.290 nan 0.000 0.532 82 Q N -0.121 119.686 119.800 0.012 0.000 2.197 82 Q HA 0.084 4.425 4.340 0.001 0.000 0.207 82 Q C 0.683 176.696 176.000 0.021 0.000 0.984 82 Q CA 1.757 57.563 55.803 0.005 0.000 0.869 82 Q CB -0.041 28.695 28.738 -0.003 0.000 0.906 82 Q HN 0.543 nan 8.270 nan 0.000 0.426 83 V N 0.889 120.827 119.914 0.041 0.000 2.444 83 V HA 0.649 4.770 4.120 0.001 0.000 0.294 83 V C -0.653 175.503 176.094 0.103 0.000 1.022 83 V CA -0.413 61.930 62.300 0.072 0.000 0.850 83 V CB 1.289 33.153 31.823 0.069 0.000 0.992 83 V HN 0.247 nan 8.190 nan 0.000 0.426 84 A N 6.360 129.250 122.820 0.118 0.000 2.342 84 A HA 0.945 5.265 4.320 0.001 0.000 0.323 84 A C -0.883 176.818 177.584 0.195 0.000 1.125 84 A CA -0.548 51.579 52.037 0.149 0.000 0.785 84 A CB 1.031 20.069 19.000 0.064 0.000 1.221 84 A HN 0.761 nan 8.150 nan 0.000 0.463 85 I N 2.644 123.377 120.570 0.271 0.000 2.466 85 I HA 0.436 4.606 4.170 0.001 0.000 0.289 85 I C -0.886 175.379 176.117 0.246 0.000 1.026 85 I CA -0.236 61.223 61.300 0.265 0.000 1.078 85 I CB 1.834 39.972 38.000 0.230 0.000 1.249 85 I HN 0.510 nan 8.210 nan 0.000 0.429 86 I N 4.913 125.554 120.570 0.119 0.000 2.569 86 I HA 0.777 4.948 4.170 0.001 0.000 0.296 86 I C -0.251 175.891 176.117 0.041 0.000 1.028 86 I CA -0.474 60.816 61.300 -0.015 0.000 1.082 86 I CB 2.170 39.978 38.000 -0.319 0.000 1.264 86 I HN 0.653 nan 8.210 nan 0.000 0.429 87 A N 3.734 126.585 122.820 0.053 0.000 2.539 87 A HA 0.557 4.877 4.320 0.001 0.000 0.296 87 A C -1.235 176.313 177.584 -0.061 0.000 1.073 87 A CA -0.594 51.442 52.037 -0.002 0.000 0.700 87 A CB 1.732 20.721 19.000 -0.019 0.000 1.296 87 A HN 0.632 nan 8.150 nan 0.000 0.405 88 D N 0.058 120.159 120.400 -0.497 0.000 2.360 88 D HA 0.219 4.859 4.640 0.001 0.000 0.242 88 D C 1.611 177.792 176.300 -0.199 0.000 1.184 88 D CA 0.549 54.169 54.000 -0.633 0.000 0.930 88 D CB 1.344 41.458 40.800 -1.143 0.000 1.161 88 D HN 0.739 nan 8.370 nan 0.000 0.447 89 V N -0.963 118.909 119.914 -0.070 0.000 3.078 89 V HA -0.003 4.117 4.120 0.001 0.000 0.265 89 V C 0.345 176.400 176.094 -0.064 0.000 1.122 89 V CA 0.626 62.911 62.300 -0.025 0.000 1.141 89 V CB -0.670 31.166 31.823 0.023 0.000 0.735 89 V HN 0.340 nan 8.190 nan 0.000 0.498 90 D N 1.665 122.015 120.400 -0.082 0.000 2.423 90 D HA -0.007 4.633 4.640 0.001 0.000 0.238 90 D C 1.366 177.569 176.300 -0.163 0.000 1.142 90 D CA 0.338 54.289 54.000 -0.081 0.000 0.884 90 D CB 0.907 41.704 40.800 -0.005 0.000 1.199 90 D HN 0.351 nan 8.370 nan 0.000 0.438 91 E N 2.439 122.483 120.200 -0.260 0.000 2.085 91 E HA -0.221 4.130 4.350 0.001 0.000 0.194 91 E C 1.803 178.198 176.600 -0.342 0.000 0.994 91 E CA 1.071 57.199 56.400 -0.453 0.000 0.801 91 E CB 0.153 29.238 29.700 -1.025 0.000 0.743 91 E HN 0.548 nan 8.360 nan 0.000 0.453 92 R N 0.091 120.450 120.500 -0.235 0.000 2.115 92 R HA -0.050 4.290 4.340 0.001 0.000 0.230 92 R C 2.368 178.602 176.300 -0.111 0.000 1.111 92 R CA 1.830 57.854 56.100 -0.127 0.000 0.976 92 R CB -0.994 29.282 30.300 -0.040 0.000 0.870 92 R HN 0.128 nan 8.270 nan 0.000 0.445 93 T N -0.838 113.626 114.554 -0.149 0.000 2.896 93 T HA -0.041 4.310 4.350 0.001 0.000 0.263 93 T C 1.994 176.626 174.700 -0.112 0.000 1.050 93 T CA 0.845 62.837 62.100 -0.180 0.000 1.140 93 T CB -0.184 68.476 68.868 -0.347 0.000 0.877 93 T HN 0.270 nan 8.240 nan 0.000 0.457 94 R N 1.566 121.992 120.500 -0.123 0.000 2.080 94 R HA -0.025 4.316 4.340 0.001 0.000 0.236 94 R C 2.334 178.594 176.300 -0.067 0.000 1.137 94 R CA 1.330 57.377 56.100 -0.088 0.000 0.943 94 R CB -0.264 29.967 30.300 -0.114 0.000 0.846 94 R HN 0.119 nan 8.270 nan 0.000 0.431 95 K N -0.318 120.026 120.400 -0.094 0.000 2.211 95 K HA -0.043 4.278 4.320 0.001 0.000 0.203 95 K C 2.017 178.607 176.600 -0.017 0.000 1.050 95 K CA 1.703 57.950 56.287 -0.067 0.000 0.945 95 K CB -0.332 32.114 32.500 -0.091 0.000 0.732 95 K HN 0.300 nan 8.250 nan 0.000 0.451 96 T N 0.150 114.707 114.554 0.005 0.000 2.821 96 T HA -0.076 4.275 4.350 0.001 0.000 0.267 96 T C 1.868 176.645 174.700 0.127 0.000 1.046 96 T CA 1.511 63.655 62.100 0.073 0.000 1.139 96 T CB -0.297 68.623 68.868 0.087 0.000 0.871 96 T HN 0.434 nan 8.240 nan 0.000 0.454 97 G N 1.140 110.017 108.800 0.128 0.000 2.422 97 G HA2 -0.162 3.799 3.960 0.001 0.000 0.218 97 G HA3 -0.162 3.799 3.960 0.001 0.000 0.218 97 G C 1.455 176.382 174.900 0.045 0.000 1.146 97 G CA 0.545 45.736 45.100 0.151 0.000 0.769 97 G HN 0.500 nan 8.290 nan 0.000 0.547 98 E N 0.443 120.650 120.200 0.011 0.000 2.072 98 E HA 0.040 4.391 4.350 0.001 0.000 0.190 98 E C 2.916 179.496 176.600 -0.033 0.000 0.982 98 E CA 0.667 57.054 56.400 -0.021 0.000 0.803 98 E CB -0.139 29.540 29.700 -0.035 0.000 0.755 98 E HN 0.396 nan 8.360 nan 0.000 0.453 99 A N 0.828 123.637 122.820 -0.018 0.000 1.930 99 A HA -0.167 4.154 4.320 0.001 0.000 0.217 99 A C 1.934 179.485 177.584 -0.055 0.000 1.175 99 A CA 0.900 52.916 52.037 -0.035 0.000 0.627 99 A CB -0.632 18.360 19.000 -0.014 0.000 0.815 99 A HN 0.317 nan 8.150 nan 0.000 0.443 100 F N 0.700 120.515 119.950 -0.225 0.000 2.146 100 F HA 0.002 4.530 4.527 0.002 0.000 0.298 100 F C 2.529 178.149 175.800 -0.300 0.000 1.096 100 F CA 1.184 58.960 58.000 -0.374 0.000 1.275 100 F CB -0.209 38.228 39.000 -0.939 0.000 1.008 100 F HN 0.257 nan 8.300 nan 0.000 0.480 101 A N 0.536 123.256 122.820 -0.167 0.000 1.877 101 A HA -0.132 4.189 4.320 0.001 0.000 0.216 101 A C 2.394 179.863 177.584 -0.192 0.000 1.186 101 A CA 1.839 53.774 52.037 -0.169 0.000 0.620 101 A CB -1.615 17.345 19.000 -0.066 0.000 0.822 101 A HN 0.493 nan 8.150 nan 0.000 0.443 102 A N -0.652 122.081 122.820 -0.145 0.000 1.917 102 A HA 0.035 4.356 4.320 0.001 0.000 0.219 102 A C 2.375 179.877 177.584 -0.136 0.000 1.182 102 A CA 2.161 54.127 52.037 -0.118 0.000 0.633 102 A CB -1.314 17.630 19.000 -0.094 0.000 0.819 102 A HN 0.777 nan 8.150 nan 0.000 0.448 103 G N -0.902 107.781 108.800 -0.194 0.000 2.430 103 G HA2 0.034 3.994 3.960 0.001 0.000 0.216 103 G HA3 0.034 3.994 3.960 0.001 0.000 0.216 103 G C 1.470 176.251 174.900 -0.197 0.000 1.146 103 G CA 0.943 45.949 45.100 -0.157 0.000 0.793 103 G HN 0.460 nan 8.290 nan 0.000 0.537 104 L N 0.591 121.569 121.223 -0.408 0.000 2.072 104 L HA 0.429 4.770 4.340 0.001 0.000 0.205 104 L C 1.412 178.158 176.870 -0.206 0.000 1.079 104 L CA 1.825 56.422 54.840 -0.404 0.000 0.752 104 L CB 0.034 41.745 42.059 -0.581 0.000 0.906 104 L HN 0.167 nan 8.230 nan 0.000 0.436 105 A N -0.658 122.066 122.820 -0.159 0.000 3.007 105 A HA 0.568 4.888 4.320 0.001 0.000 0.314 105 A C -2.587 174.954 177.584 -0.072 0.000 1.153 105 A CA -1.029 50.952 52.037 -0.093 0.000 0.780 105 A CB -0.234 18.718 19.000 -0.080 0.000 1.258 105 A HN 0.055 nan 8.150 nan 0.000 0.460 106 P HA 0.047 nan 4.420 nan 0.000 0.266 106 P C -0.094 177.183 177.300 -0.039 0.000 1.186 106 P CA 0.926 63.999 63.100 -0.045 0.000 0.767 106 P CB 0.332 32.015 31.700 -0.029 0.000 0.820 107 D N -0.328 120.050 120.400 -0.038 0.000 3.018 107 D HA -0.212 4.429 4.640 0.001 0.000 0.224 107 D C 0.312 176.594 176.300 -0.029 0.000 1.185 107 D CA 0.768 54.749 54.000 -0.030 0.000 0.858 107 D CB -1.710 39.076 40.800 -0.024 0.000 1.112 107 D HN 0.390 nan 8.370 nan 0.000 0.415 108 c N 0.282 118.861 118.600 -0.035 0.000 2.799 108 c HA 0.460 5.031 4.570 0.001 0.000 0.267 108 c C 1.575 175.648 174.090 -0.028 0.000 1.257 108 c CA 0.328 56.639 56.329 -0.030 0.000 1.702 108 c CB -0.713 41.776 42.510 -0.034 0.000 1.934 108 c HN 0.701 nan 8.230 nan 0.000 0.594 109 A N 1.123 123.923 122.820 -0.033 0.000 2.519 109 A HA -0.213 4.108 4.320 0.001 0.000 0.297 109 A C 0.020 177.585 177.584 -0.032 0.000 1.472 109 A CA 0.504 52.521 52.037 -0.033 0.000 0.739 109 A CB -2.135 16.849 19.000 -0.027 0.000 1.096 109 A HN 0.684 nan 8.150 nan 0.000 0.414 110 I N 1.404 121.954 120.570 -0.033 0.000 2.471 110 I HA 0.118 4.288 4.170 0.001 0.000 0.286 110 I C 1.221 177.305 176.117 -0.055 0.000 1.079 110 I CA -0.045 61.242 61.300 -0.021 0.000 1.398 110 I CB 1.054 39.053 38.000 -0.002 0.000 1.403 110 I HN 0.480 nan 8.210 nan 0.000 0.530 111 T N 5.927 120.423 114.554 -0.097 0.000 2.940 111 T HA 0.130 4.481 4.350 0.001 0.000 0.309 111 T C 0.092 174.578 174.700 -0.358 0.000 1.056 111 T CA -0.302 61.642 62.100 -0.260 0.000 1.137 111 T CB 0.844 69.465 68.868 -0.413 0.000 0.976 111 T HN 0.252 nan 8.240 nan 0.000 0.547 112 V N 5.640 125.381 119.914 -0.288 0.000 2.294 112 V HA 0.201 4.322 4.120 0.001 0.000 0.272 112 V C 0.301 176.291 176.094 -0.173 0.000 1.027 112 V CA -0.845 61.363 62.300 -0.152 0.000 0.823 112 V CB 0.007 31.801 31.823 -0.049 0.000 1.030 112 V HN 0.844 nan 8.190 nan 0.000 0.457 113 H N 3.212 122.329 119.070 0.078 0.000 2.610 113 H HA 0.569 5.126 4.556 0.001 0.000 0.336 113 H C 0.414 175.845 175.328 0.172 0.000 1.087 113 H CA -0.067 56.057 56.048 0.128 0.000 1.405 113 H CB 1.874 31.735 29.762 0.164 0.000 1.460 113 H HN 0.680 nan 8.280 nan 0.000 0.538 114 T N -0.819 113.942 114.554 0.345 0.000 2.804 114 T HA 0.193 4.544 4.350 0.001 0.000 0.290 114 T C -0.128 174.813 174.700 0.403 0.000 1.099 114 T CA -1.209 61.108 62.100 0.362 0.000 1.011 114 T CB 2.162 71.134 68.868 0.174 0.000 1.291 114 T HN 0.634 nan 8.240 nan 0.000 0.523 115 Q N 0.124 120.137 119.800 0.355 0.000 2.361 115 Q HA 0.159 4.500 4.340 0.001 0.000 0.276 115 Q C 0.692 176.738 176.000 0.076 0.000 1.022 115 Q CA 0.217 56.092 55.803 0.120 0.000 0.898 115 Q CB 0.402 29.217 28.738 0.128 0.000 1.246 115 Q HN 0.762 nan 8.270 nan 0.000 0.410 116 T N 2.242 116.805 114.554 0.016 0.000 2.684 116 T HA -0.162 4.189 4.350 0.001 0.000 0.267 116 T C 0.144 174.858 174.700 0.024 0.000 1.036 116 T CA 1.532 63.645 62.100 0.022 0.000 1.148 116 T CB -0.173 68.695 68.868 -0.001 0.000 0.863 116 T HN 0.682 nan 8.240 nan 0.000 0.436 117 D N 1.306 121.717 120.400 0.017 0.000 2.374 117 D HA 0.117 4.758 4.640 0.001 0.000 0.240 117 D C 0.667 176.986 176.300 0.031 0.000 1.229 117 D CA 0.183 54.194 54.000 0.020 0.000 0.895 117 D CB 0.699 41.507 40.800 0.013 0.000 1.046 117 D HN 0.002 nan 8.370 nan 0.000 0.498 118 T N 1.209 115.780 114.554 0.028 0.000 3.113 118 T HA -0.073 4.278 4.350 0.001 0.000 0.256 118 T C 1.580 176.294 174.700 0.023 0.000 1.131 118 T CA 1.005 63.122 62.100 0.027 0.000 1.074 118 T CB 0.072 68.951 68.868 0.017 0.000 0.944 118 T HN 0.467 nan 8.240 nan 0.000 0.516 119 S N -0.290 115.424 115.700 0.024 0.000 2.556 119 S HA 0.303 4.774 4.470 0.001 0.000 0.216 119 S C 0.663 175.278 174.600 0.024 0.000 0.970 119 S CA -0.576 57.638 58.200 0.024 0.000 0.912 119 S CB 0.239 63.452 63.200 0.022 0.000 0.790 119 S HN 0.164 nan 8.310 nan 0.000 0.504 120 S N 2.597 118.314 115.700 0.028 0.000 2.542 120 S HA 0.670 5.140 4.470 0.001 0.000 0.293 120 S C -2.987 171.639 174.600 0.042 0.000 1.089 120 S CA -1.686 56.531 58.200 0.029 0.000 0.961 120 S CB 1.435 64.650 63.200 0.025 0.000 1.062 120 S HN 0.192 nan 8.310 nan 0.000 0.483 121 P HA 0.195 nan 4.420 nan 0.000 0.272 121 P C -1.198 176.162 177.300 0.100 0.000 1.230 121 P CA -0.186 62.954 63.100 0.067 0.000 0.788 121 P CB 0.378 32.110 31.700 0.053 0.000 0.949 122 D N 2.060 122.561 120.400 0.168 0.000 2.359 122 D HA 0.139 4.780 4.640 0.001 0.000 0.230 122 D C -1.301 175.144 176.300 0.241 0.000 1.118 122 D CA -2.595 51.548 54.000 0.238 0.000 0.844 122 D CB 0.840 41.886 40.800 0.410 0.000 1.059 122 D HN 0.126 nan 8.370 nan 0.000 0.493 123 P HA -0.186 nan 4.420 nan 0.000 0.219 123 P C 1.719 179.060 177.300 0.067 0.000 1.146 123 P CA 0.321 63.474 63.100 0.089 0.000 0.808 123 P CB 0.446 32.170 31.700 0.041 0.000 0.779 124 L N -0.699 120.558 121.223 0.057 0.000 2.081 124 L HA -0.124 4.217 4.340 0.001 0.000 0.212 124 L C 2.029 178.722 176.870 -0.296 0.000 1.080 124 L CA 1.958 56.712 54.840 -0.144 0.000 0.754 124 L CB -1.294 40.626 42.059 -0.232 0.000 0.893 124 L HN -0.193 nan 8.230 nan 0.000 0.433 125 F N -0.952 119.049 119.950 0.086 0.000 2.765 125 F HA 0.239 4.767 4.527 0.001 0.000 0.302 125 F C 0.726 176.570 175.800 0.073 0.000 1.111 125 F CA -0.006 58.052 58.000 0.097 0.000 1.359 125 F CB 0.012 39.108 39.000 0.161 0.000 1.097 125 F HN 0.203 nan 8.300 nan 0.000 0.577 126 N N -0.189 118.609 118.700 0.163 0.000 3.987 126 N HA 0.029 4.770 4.740 0.001 0.000 0.170 126 N C -2.549 172.993 175.510 0.053 0.000 1.436 126 N CA -0.748 52.355 53.050 0.089 0.000 0.843 126 N CB 0.783 39.319 38.487 0.081 0.000 1.734 126 N HN -0.217 nan 8.380 nan 0.000 0.746 127 P HA 0.017 nan 4.420 nan 0.000 0.237 127 P C 1.277 178.579 177.300 0.003 0.000 1.178 127 P CA 0.273 63.380 63.100 0.011 0.000 0.766 127 P CB 0.715 32.412 31.700 -0.005 0.000 0.876 128 L N -0.017 121.206 121.223 0.001 0.000 2.049 128 L HA -0.020 4.320 4.340 0.001 0.000 0.203 128 L C 2.848 179.714 176.870 -0.007 0.000 1.074 128 L CA 1.348 56.182 54.840 -0.009 0.000 0.749 128 L CB -0.835 41.213 42.059 -0.018 0.000 0.907 128 L HN -0.066 nan 8.230 nan 0.000 0.439 129 K N 0.235 120.633 120.400 -0.002 0.000 2.147 129 K HA -0.155 4.165 4.320 0.001 0.000 0.205 129 K C 1.791 178.394 176.600 0.004 0.000 1.049 129 K CA 1.788 58.074 56.287 -0.002 0.000 0.936 129 K CB 0.033 32.533 32.500 -0.001 0.000 0.722 129 K HN 0.398 nan 8.250 nan 0.000 0.446 130 T N -3.440 111.121 114.554 0.012 0.000 3.129 130 T HA 0.199 4.549 4.350 0.001 0.000 0.251 130 T C 1.175 175.877 174.700 0.005 0.000 1.117 130 T CA 0.357 62.465 62.100 0.013 0.000 1.034 130 T CB 0.390 69.273 68.868 0.025 0.000 0.968 130 T HN 0.352 nan 8.240 nan 0.000 0.526 131 G N 0.640 109.440 108.800 -0.001 0.000 2.143 131 G HA2 -0.303 3.658 3.960 0.001 0.000 0.249 131 G HA3 -0.303 3.658 3.960 0.001 0.000 0.249 131 G C 0.837 175.732 174.900 -0.007 0.000 0.981 131 G CA 0.178 45.275 45.100 -0.005 0.000 0.665 131 G HN 0.505 nan 8.290 nan 0.000 0.528 132 V N -0.195 119.716 119.914 -0.006 0.000 2.407 132 V HA -0.009 4.112 4.120 0.001 0.000 0.248 132 V C 1.935 178.021 176.094 -0.014 0.000 1.055 132 V CA 1.950 64.245 62.300 -0.009 0.000 1.049 132 V CB -0.681 31.137 31.823 -0.009 0.000 0.662 132 V HN 1.502 nan 8.190 nan 0.000 0.455 133 c N -2.218 116.373 118.600 -0.014 0.000 3.332 133 c HA 0.762 5.332 4.570 0.001 0.000 0.329 133 c C -0.970 173.109 174.090 -0.019 0.000 1.434 133 c CA -1.082 55.236 56.329 -0.018 0.000 1.314 133 c CB 1.589 44.086 42.510 -0.021 0.000 1.664 133 c HN 0.394 nan 8.230 nan 0.000 0.457 134 Q N 0.309 120.096 119.800 -0.021 0.000 2.433 134 Q HA 0.725 5.065 4.340 0.001 0.000 0.279 134 Q C -1.307 174.677 176.000 -0.026 0.000 1.105 134 Q CA -0.664 55.125 55.803 -0.023 0.000 0.815 134 Q CB 2.396 31.122 28.738 -0.021 0.000 1.403 134 Q HN 0.681 nan 8.270 nan 0.000 0.435 135 L N 0.883 122.089 121.223 -0.029 0.000 2.357 135 L HA 0.292 4.632 4.340 0.001 0.000 0.273 135 L C -0.095 176.756 176.870 -0.032 0.000 1.080 135 L CA -0.681 54.138 54.840 -0.034 0.000 0.803 135 L CB 0.779 42.814 42.059 -0.040 0.000 1.174 135 L HN 0.575 nan 8.230 nan 0.000 0.443 136 D N 2.044 122.424 120.400 -0.033 0.000 2.393 136 D HA -0.030 4.610 4.640 0.001 0.000 0.232 136 D C 0.850 177.130 176.300 -0.033 0.000 1.192 136 D CA 0.083 54.065 54.000 -0.030 0.000 0.882 136 D CB 0.558 41.341 40.800 -0.029 0.000 1.038 136 D HN 0.436 nan 8.370 nan 0.000 0.499 137 N N 3.841 122.522 118.700 -0.031 0.000 2.036 137 N HA -0.258 4.483 4.740 0.001 0.000 0.195 137 N C 1.445 176.936 175.510 -0.032 0.000 1.037 137 N CA 1.813 54.843 53.050 -0.032 0.000 0.855 137 N CB -0.039 38.431 38.487 -0.028 0.000 1.033 137 N HN 0.517 nan 8.380 nan 0.000 0.423 138 A N 0.824 123.627 122.820 -0.028 0.000 1.902 138 A HA -0.150 4.170 4.320 0.001 0.000 0.217 138 A C 2.188 179.754 177.584 -0.030 0.000 1.181 138 A CA 1.562 53.583 52.037 -0.026 0.000 0.623 138 A CB -0.877 18.110 19.000 -0.022 0.000 0.818 138 A HN 0.604 nan 8.150 nan 0.000 0.443 139 N N -0.311 118.371 118.700 -0.031 0.000 2.171 139 N HA -0.109 4.632 4.740 0.001 0.000 0.184 139 N C 1.646 177.130 175.510 -0.043 0.000 1.021 139 N CA 1.376 54.406 53.050 -0.034 0.000 0.854 139 N CB -0.010 38.457 38.487 -0.032 0.000 0.994 139 N HN 0.231 nan 8.380 nan 0.000 0.426 140 V N 0.872 120.757 119.914 -0.048 0.000 2.427 140 V HA -0.173 3.947 4.120 0.001 0.000 0.248 140 V C 2.201 178.256 176.094 -0.064 0.000 1.051 140 V CA 1.664 63.927 62.300 -0.060 0.000 1.048 140 V CB -0.731 31.055 31.823 -0.061 0.000 0.666 140 V HN 0.400 nan 8.190 nan 0.000 0.456 141 T N -0.511 114.011 114.554 -0.054 0.000 2.684 141 T HA -0.243 4.108 4.350 0.001 0.000 0.267 141 T C 1.847 176.517 174.700 -0.051 0.000 1.036 141 T CA 1.810 63.879 62.100 -0.052 0.000 1.148 141 T CB -0.384 68.460 68.868 -0.040 0.000 0.863 141 T HN 0.576 nan 8.240 nan 0.000 0.436 142 D N 0.979 121.353 120.400 -0.043 0.000 2.144 142 D HA -0.050 4.590 4.640 0.001 0.000 0.200 142 D C 2.313 178.585 176.300 -0.046 0.000 0.978 142 D CA 1.166 55.144 54.000 -0.038 0.000 0.833 142 D CB -0.060 40.722 40.800 -0.029 0.000 0.961 142 D HN 0.375 nan 8.370 nan 0.000 0.470 143 A N 0.847 123.632 122.820 -0.058 0.000 1.898 143 A HA -0.083 4.238 4.320 0.001 0.000 0.216 143 A C 2.492 180.018 177.584 -0.098 0.000 1.181 143 A CA 0.825 52.819 52.037 -0.071 0.000 0.620 143 A CB -0.579 18.374 19.000 -0.077 0.000 0.819 143 A HN 0.315 nan 8.150 nan 0.000 0.442 144 I N -0.906 119.598 120.570 -0.111 0.000 2.233 144 I HA -0.181 3.990 4.170 0.001 0.000 0.243 144 I C 2.237 178.276 176.117 -0.131 0.000 1.093 144 I CA 0.705 61.915 61.300 -0.150 0.000 1.380 144 I CB -0.310 37.600 38.000 -0.150 0.000 1.067 144 I HN 0.206 nan 8.210 nan 0.000 0.413 145 L N 0.400 121.570 121.223 -0.089 0.000 2.046 145 L HA -0.196 4.144 4.340 0.001 0.000 0.208 145 L C 2.787 179.638 176.870 -0.032 0.000 1.077 145 L CA 1.728 56.532 54.840 -0.060 0.000 0.747 145 L CB -1.192 40.845 42.059 -0.036 0.000 0.896 145 L HN 0.199 nan 8.230 nan 0.000 0.432 146 S N -0.442 115.239 115.700 -0.031 0.000 2.359 146 S HA -0.203 4.268 4.470 0.001 0.000 0.224 146 S C 2.085 176.693 174.600 0.013 0.000 1.035 146 S CA 1.116 59.312 58.200 -0.006 0.000 1.018 146 S CB -0.083 63.109 63.200 -0.015 0.000 0.876 146 S HN 0.434 nan 8.310 nan 0.000 0.448 147 R N 0.706 121.196 120.500 -0.017 0.000 2.235 147 R HA 0.127 4.468 4.340 0.001 0.000 0.213 147 R C 2.153 178.531 176.300 0.131 0.000 1.059 147 R CA 0.919 57.042 56.100 0.038 0.000 0.997 147 R CB -0.439 29.790 30.300 -0.119 0.000 0.884 147 R HN 0.487 nan 8.270 nan 0.000 0.462 148 A N 0.565 123.398 122.820 0.022 0.000 2.251 148 A HA 0.255 4.576 4.320 0.001 0.000 0.209 148 A C 1.380 179.091 177.584 0.210 0.000 1.187 148 A CA 0.698 52.757 52.037 0.038 0.000 0.823 148 A CB 0.054 18.954 19.000 -0.167 0.000 0.846 148 A HN 0.413 nan 8.150 nan 0.000 0.486 149 G N -2.729 106.159 108.800 0.146 0.000 2.132 149 G HA2 0.180 4.141 3.960 0.001 0.000 0.228 149 G HA3 0.180 4.141 3.960 0.001 0.000 0.228 149 G C 1.411 176.373 174.900 0.103 0.000 1.000 149 G CA 0.794 45.976 45.100 0.137 0.000 0.693 149 G HN 2.047 nan 8.290 nan 0.000 0.515 150 G N -1.898 106.944 108.800 0.070 0.000 2.349 150 G HA2 0.236 4.197 3.960 0.001 0.000 0.213 150 G HA3 0.236 4.197 3.960 0.001 0.000 0.213 150 G C 0.630 175.557 174.900 0.045 0.000 1.044 150 G CA 1.259 46.388 45.100 0.050 0.000 0.633 150 G HN 2.632 nan 8.290 nan 0.000 0.506 151 S N -0.572 115.171 115.700 0.072 0.000 2.570 151 S HA 0.728 5.199 4.470 0.001 0.000 0.270 151 S C 0.797 175.461 174.600 0.107 0.000 1.149 151 S CA -0.312 57.927 58.200 0.065 0.000 0.837 151 S CB 1.430 64.667 63.200 0.063 0.000 1.124 151 S HN 0.354 nan 8.310 nan 0.000 0.465 152 I N 1.250 121.869 120.570 0.082 0.000 2.394 152 I HA -0.035 4.135 4.170 0.001 0.000 0.251 152 I C 2.798 179.034 176.117 0.199 0.000 1.136 152 I CA 1.689 63.068 61.300 0.133 0.000 1.425 152 I CB -2.104 35.940 38.000 0.072 0.000 1.079 152 I HN 0.894 nan 8.210 nan 0.000 0.425 153 A N 0.822 123.715 122.820 0.122 0.000 1.877 153 A HA -0.289 4.032 4.320 0.001 0.000 0.216 153 A C 2.167 179.821 177.584 0.117 0.000 1.186 153 A CA 2.301 54.394 52.037 0.092 0.000 0.620 153 A CB -0.906 18.124 19.000 0.051 0.000 0.822 153 A HN 0.419 nan 8.150 nan 0.000 0.443 154 D N -1.974 118.514 120.400 0.145 0.000 2.144 154 D HA -0.122 4.519 4.640 0.001 0.000 0.200 154 D C 1.597 178.054 176.300 0.262 0.000 0.978 154 D CA 1.073 55.171 54.000 0.163 0.000 0.833 154 D CB -0.172 40.734 40.800 0.177 0.000 0.961 154 D HN 0.359 nan 8.370 nan 0.000 0.470 155 F N 0.906 120.941 119.950 0.141 0.000 2.075 155 F HA -0.192 4.335 4.527 0.001 0.000 0.297 155 F C 2.564 178.482 175.800 0.198 0.000 1.113 155 F CA 2.256 60.357 58.000 0.168 0.000 1.218 155 F CB -0.997 38.087 39.000 0.139 0.000 0.984 155 F HN 0.068 nan 8.300 nan 0.000 0.472 156 T N -2.313 112.407 114.554 0.277 0.000 2.867 156 T HA -0.025 4.326 4.350 0.001 0.000 0.268 156 T C 2.303 177.083 174.700 0.133 0.000 1.057 156 T CA 0.992 63.235 62.100 0.239 0.000 1.136 156 T CB -1.486 67.486 68.868 0.174 0.000 0.874 156 T HN 0.312 nan 8.240 nan 0.000 0.466 157 G N 0.375 109.210 108.800 0.058 0.000 2.462 157 G HA2 -0.217 3.744 3.960 0.001 0.000 0.220 157 G HA3 -0.217 3.744 3.960 0.001 0.000 0.220 157 G C 1.525 176.369 174.900 -0.094 0.000 1.121 157 G CA 0.548 45.629 45.100 -0.033 0.000 0.758 157 G HN 0.583 nan 8.290 nan 0.000 0.559 158 H N -0.062 119.000 119.070 -0.014 0.000 2.547 158 H HA 0.196 4.752 4.556 0.001 0.000 0.266 158 H C 1.533 176.818 175.328 -0.072 0.000 0.988 158 H CA 0.504 56.520 56.048 -0.052 0.000 1.147 158 H CB 0.459 30.165 29.762 -0.093 0.000 1.365 158 H HN 0.340 nan 8.280 nan 0.000 0.589 159 R N -0.006 120.529 120.500 0.057 0.000 2.629 159 R HA 0.094 4.434 4.340 0.001 0.000 0.408 159 R C 1.276 177.686 176.300 0.182 0.000 1.057 159 R CA -0.156 55.963 56.100 0.032 0.000 1.119 159 R CB 0.732 30.966 30.300 -0.110 0.000 1.403 159 R HN 0.044 nan 8.270 nan 0.000 0.576 160 Q N 0.245 120.163 119.800 0.195 0.000 2.135 160 Q HA -0.116 4.225 4.340 0.001 0.000 0.204 160 Q C 1.453 177.552 176.000 0.165 0.000 0.981 160 Q CA 1.815 57.753 55.803 0.225 0.000 0.856 160 Q CB -0.125 28.667 28.738 0.091 0.000 0.902 160 Q HN 0.215 nan 8.270 nan 0.000 0.425 161 T N 1.187 115.792 114.554 0.085 0.000 2.720 161 T HA -0.134 4.217 4.350 0.001 0.000 0.268 161 T C 1.806 176.529 174.700 0.039 0.000 1.037 161 T CA 1.526 63.657 62.100 0.051 0.000 1.144 161 T CB -0.198 68.686 68.868 0.026 0.000 0.864 161 T HN 0.438 nan 8.240 nan 0.000 0.444 162 A N 0.428 123.246 122.820 -0.002 0.000 1.930 162 A HA 0.072 4.392 4.320 0.001 0.000 0.217 162 A C 1.933 179.468 177.584 -0.081 0.000 1.175 162 A CA 1.051 53.042 52.037 -0.076 0.000 0.627 162 A CB -0.829 18.066 19.000 -0.175 0.000 0.815 162 A HN 0.439 nan 8.150 nan 0.000 0.443 163 F N 0.025 119.981 119.950 0.010 0.000 2.146 163 F HA -0.064 4.463 4.527 0.001 0.000 0.298 163 F C 2.539 178.338 175.800 -0.001 0.000 1.096 163 F CA 1.484 59.485 58.000 0.003 0.000 1.275 163 F CB -0.264 38.729 39.000 -0.012 0.000 1.008 163 F HN 0.104 nan 8.300 nan 0.000 0.480 164 R N -0.246 120.369 120.500 0.192 0.000 2.115 164 R HA -0.177 4.163 4.340 0.001 0.000 0.230 164 R C 2.024 178.374 176.300 0.083 0.000 1.111 164 R CA 1.373 57.545 56.100 0.121 0.000 0.976 164 R CB -0.344 30.010 30.300 0.090 0.000 0.870 164 R HN 0.198 nan 8.270 nan 0.000 0.445 165 E N 0.996 121.230 120.200 0.057 0.000 2.106 165 E HA -0.168 4.183 4.350 0.001 0.000 0.192 165 E C 1.720 178.340 176.600 0.033 0.000 0.984 165 E CA 0.762 57.174 56.400 0.020 0.000 0.806 165 E CB -0.096 29.600 29.700 -0.007 0.000 0.750 165 E HN 0.127 nan 8.360 nan 0.000 0.458 166 L N 0.974 122.242 121.223 0.075 0.000 2.056 166 L HA -0.066 4.274 4.340 0.001 0.000 0.207 166 L C 1.776 178.739 176.870 0.155 0.000 1.078 166 L CA 1.887 56.815 54.840 0.147 0.000 0.749 166 L CB -0.546 41.618 42.059 0.174 0.000 0.901 166 L HN 0.134 nan 8.230 nan 0.000 0.433 167 E N -0.665 119.603 120.200 0.114 0.000 2.085 167 E HA -0.249 4.101 4.350 0.001 0.000 0.194 167 E C 2.271 178.968 176.600 0.162 0.000 0.994 167 E CA 0.985 57.464 56.400 0.132 0.000 0.801 167 E CB -0.244 29.541 29.700 0.143 0.000 0.743 167 E HN 0.342 nan 8.360 nan 0.000 0.453 168 R N 0.978 121.538 120.500 0.100 0.000 2.073 168 R HA -0.126 4.215 4.340 0.001 0.000 0.234 168 R C 2.253 178.573 176.300 0.034 0.000 1.134 168 R CA 1.146 57.279 56.100 0.055 0.000 0.952 168 R CB -0.512 29.800 30.300 0.021 0.000 0.850 168 R HN 0.107 nan 8.270 nan 0.000 0.433 169 V N 1.457 121.383 119.914 0.020 0.000 2.490 169 V HA -0.218 3.903 4.120 0.001 0.000 0.250 169 V C 2.275 178.447 176.094 0.130 0.000 1.061 169 V CA 1.437 63.726 62.300 -0.019 0.000 1.064 169 V CB -0.319 31.382 31.823 -0.203 0.000 0.670 169 V HN 0.291 nan 8.190 nan 0.000 0.461 170 L N -0.211 121.129 121.223 0.195 0.000 2.509 170 L HA 0.170 4.511 4.340 0.001 0.000 0.222 170 L C 1.195 178.048 176.870 -0.027 0.000 1.123 170 L CA 0.495 55.440 54.840 0.175 0.000 0.856 170 L CB -0.488 41.760 42.059 0.315 0.000 0.985 170 L HN 0.525 nan 8.230 nan 0.000 0.456 171 N N -0.555 118.157 118.700 0.019 0.000 2.738 171 N HA -0.307 4.434 4.740 0.001 0.000 0.249 171 N C 0.664 176.201 175.510 0.046 0.000 1.047 171 N CA 0.242 53.279 53.050 -0.020 0.000 0.707 171 N CB -1.437 36.963 38.487 -0.144 0.000 0.937 171 N HN 0.261 nan 8.380 nan 0.000 0.545 172 F N 1.665 121.604 119.950 -0.018 0.000 2.120 172 F HA -0.054 4.474 4.527 0.001 0.000 0.300 172 F C -0.512 175.285 175.800 -0.005 0.000 1.095 172 F CA 2.092 60.099 58.000 0.012 0.000 1.249 172 F CB -0.997 38.037 39.000 0.058 0.000 0.995 172 F HN 0.291 nan 8.300 nan 0.000 0.480 173 P HA -0.213 nan 4.420 nan 0.000 0.218 173 P C 0.551 177.731 177.300 -0.200 0.000 1.146 173 P CA 1.520 64.509 63.100 -0.185 0.000 0.813 173 P CB -0.162 31.502 31.700 -0.059 0.000 0.778 174 Q N 0.213 119.922 119.800 -0.150 0.000 2.237 174 Q HA 0.156 4.496 4.340 0.001 0.000 0.252 174 Q C 0.691 176.607 176.000 -0.140 0.000 0.877 174 Q CA -0.056 55.667 55.803 -0.134 0.000 1.011 174 Q CB 0.069 28.742 28.738 -0.108 0.000 1.118 174 Q HN 0.311 nan 8.270 nan 0.000 0.458 175 S N -1.281 114.307 115.700 -0.187 0.000 2.687 175 S HA 0.340 4.810 4.470 0.001 0.000 0.283 175 S C 1.021 175.548 174.600 -0.121 0.000 1.170 175 S CA -0.639 57.484 58.200 -0.129 0.000 1.008 175 S CB 1.530 64.682 63.200 -0.080 0.000 1.026 175 S HN 0.065 nan 8.310 nan 0.000 0.541 176 N N -0.044 118.626 118.700 -0.050 0.000 2.120 176 N HA -0.102 4.638 4.740 0.001 0.000 0.188 176 N C 1.558 177.042 175.510 -0.042 0.000 1.024 176 N CA 1.085 54.115 53.050 -0.034 0.000 0.852 176 N CB -0.700 37.791 38.487 0.006 0.000 1.003 176 N HN 0.649 nan 8.380 nan 0.000 0.424 177 L N 1.023 122.233 121.223 -0.021 0.000 2.079 177 L HA -0.158 4.183 4.340 0.001 0.000 0.210 177 L C 2.361 179.165 176.870 -0.111 0.000 1.081 177 L CA 1.548 56.386 54.840 -0.003 0.000 0.752 177 L CB -0.779 41.363 42.059 0.138 0.000 0.896 177 L HN 0.175 nan 8.230 nan 0.000 0.433 178 c N -1.213 117.215 118.600 -0.286 0.000 2.518 178 c HA -0.041 4.529 4.570 0.001 0.000 0.279 178 c C 2.662 176.648 174.090 -0.175 0.000 1.279 178 c CA 0.491 56.622 56.329 -0.329 0.000 1.703 178 c CB -0.883 41.305 42.510 -0.536 0.000 2.072 178 c HN 0.554 nan 8.230 nan 0.000 0.487 179 L N 0.593 121.728 121.223 -0.147 0.000 2.042 179 L HA -0.158 4.183 4.340 0.001 0.000 0.210 179 L C 2.029 178.862 176.870 -0.062 0.000 1.076 179 L CA 1.595 56.379 54.840 -0.094 0.000 0.749 179 L CB -0.713 41.297 42.059 -0.081 0.000 0.893 179 L HN 0.380 nan 8.230 nan 0.000 0.432 180 K N 0.374 120.743 120.400 -0.051 0.000 2.546 180 K HA 0.034 4.355 4.320 0.001 0.000 0.198 180 K C 0.587 177.174 176.600 -0.022 0.000 1.028 180 K CA -0.172 56.098 56.287 -0.029 0.000 1.150 180 K CB -0.056 32.434 32.500 -0.016 0.000 0.876 180 K HN 0.190 nan 8.250 nan 0.000 0.508 181 R N 1.573 122.053 120.500 -0.033 0.000 2.390 181 R HA 0.040 4.380 4.340 0.001 0.000 0.291 181 R C 0.176 176.466 176.300 -0.017 0.000 1.070 181 R CA 0.106 56.194 56.100 -0.021 0.000 1.014 181 R CB 0.707 30.989 30.300 -0.031 0.000 1.007 181 R HN 0.137 nan 8.270 nan 0.000 0.466 182 E N 2.767 122.962 120.200 -0.008 0.000 2.060 182 E HA -0.106 4.244 4.350 0.001 0.000 0.189 182 E C -0.020 176.575 176.600 -0.008 0.000 0.974 182 E CA 0.974 57.370 56.400 -0.008 0.000 0.808 182 E CB 0.146 29.844 29.700 -0.003 0.000 0.768 182 E HN 0.518 nan 8.360 nan 0.000 0.453 183 K N 1.940 122.337 120.400 -0.004 0.000 2.686 183 K HA 0.031 4.352 4.320 0.001 0.000 0.244 183 K C 0.318 176.914 176.600 -0.007 0.000 1.262 183 K CA 0.293 56.578 56.287 -0.003 0.000 1.199 183 K CB -0.246 32.255 32.500 0.001 0.000 1.428 183 K HN 0.031 nan 8.250 nan 0.000 0.247 184 Q N 0.467 120.260 119.800 -0.012 0.000 2.291 184 Q HA -0.046 4.295 4.340 0.001 0.000 0.211 184 Q C 0.323 176.316 176.000 -0.013 0.000 0.925 184 Q CA 0.066 55.859 55.803 -0.017 0.000 0.949 184 Q CB 0.172 28.896 28.738 -0.023 0.000 1.015 184 Q HN 0.531 nan 8.270 nan 0.000 0.477 185 D N 1.008 121.404 120.400 -0.008 0.000 2.234 185 D HA -0.026 4.614 4.640 0.001 0.000 0.205 185 D C 0.013 176.311 176.300 -0.004 0.000 0.962 185 D CA 0.771 54.768 54.000 -0.006 0.000 0.855 185 D CB 0.543 41.341 40.800 -0.004 0.000 0.951 185 D HN 0.268 nan 8.370 nan 0.000 0.500 186 E N -0.510 119.688 120.200 -0.002 0.000 2.249 186 E HA 0.391 4.741 4.350 0.001 0.000 0.263 186 E C -0.432 176.170 176.600 0.003 0.000 0.950 186 E CA -0.692 55.709 56.400 0.002 0.000 0.827 186 E CB 1.743 31.446 29.700 0.005 0.000 1.220 186 E HN -0.163 nan 8.360 nan 0.000 0.411 187 S N 0.602 116.308 115.700 0.010 0.000 2.572 187 S HA -0.003 4.467 4.470 0.001 0.000 0.279 187 S C -0.071 174.549 174.600 0.033 0.000 1.341 187 S CA -0.597 57.612 58.200 0.015 0.000 1.043 187 S CB 0.572 63.786 63.200 0.023 0.000 0.887 187 S HN 0.539 nan 8.310 nan 0.000 0.516 188 c N 3.476 122.091 118.600 0.026 0.000 2.648 188 c HA 0.493 5.064 4.570 0.001 0.000 0.419 188 c C 0.642 174.872 174.090 0.233 0.000 1.352 188 c CA 0.094 56.458 56.329 0.058 0.000 1.816 188 c CB -0.784 41.649 42.510 -0.128 0.000 2.598 188 c HN 0.790 nan 8.230 nan 0.000 0.598 189 S N 5.100 120.986 115.700 0.310 0.000 2.619 189 S HA 0.403 4.874 4.470 0.001 0.000 0.280 189 S C 0.486 175.188 174.600 0.171 0.000 1.150 189 S CA -0.846 57.500 58.200 0.243 0.000 0.978 189 S CB 0.987 64.231 63.200 0.075 0.000 1.041 189 S HN 0.788 nan 8.310 nan 0.000 0.485 190 L N 3.256 124.412 121.223 -0.112 0.000 2.012 190 L HA -0.108 4.232 4.340 0.001 0.000 0.210 190 L C 2.923 179.661 176.870 -0.220 0.000 1.073 190 L CA 2.203 56.858 54.840 -0.307 0.000 0.748 190 L CB -0.822 40.984 42.059 -0.422 0.000 0.891 190 L HN 0.956 nan 8.230 nan 0.000 0.431 191 T N -4.008 110.330 114.554 -0.359 0.000 2.915 191 T HA -0.234 4.117 4.350 0.001 0.000 0.269 191 T C 1.718 176.323 174.700 -0.158 0.000 1.071 191 T CA 1.191 63.070 62.100 -0.369 0.000 1.132 191 T CB -0.079 68.464 68.868 -0.542 0.000 0.878 191 T HN 0.163 nan 8.240 nan 0.000 0.479 192 Q N 1.130 120.879 119.800 -0.086 0.000 2.163 192 Q HA 0.415 4.756 4.340 0.001 0.000 0.198 192 Q C 2.409 178.415 176.000 0.010 0.000 0.954 192 Q CA 1.251 57.038 55.803 -0.026 0.000 0.851 192 Q CB -0.672 28.066 28.738 -0.001 0.000 0.928 192 Q HN 0.638 nan 8.270 nan 0.000 0.459 193 A N -0.424 122.426 122.820 0.049 0.000 2.014 193 A HA 0.091 4.412 4.320 0.001 0.000 0.218 193 A C 0.527 178.146 177.584 0.058 0.000 1.163 193 A CA 0.697 52.786 52.037 0.086 0.000 0.652 193 A CB 0.033 19.152 19.000 0.198 0.000 0.808 193 A HN 0.322 nan 8.150 nan 0.000 0.449 194 L N 1.297 122.534 121.223 0.024 0.000 2.529 194 L HA 0.271 4.612 4.340 0.001 0.000 0.246 194 L C -2.653 174.212 176.870 -0.010 0.000 1.394 194 L CA -1.920 52.930 54.840 0.016 0.000 0.906 194 L CB 1.326 43.399 42.059 0.025 0.000 1.170 194 L HN 0.039 nan 8.230 nan 0.000 0.501 195 P HA -0.028 nan 4.420 nan 0.000 0.264 195 P C -0.354 176.947 177.300 0.002 0.000 1.183 195 P CA 0.312 63.406 63.100 -0.010 0.000 0.763 195 P CB 0.937 32.636 31.700 -0.002 0.000 0.807 196 S N 2.516 118.220 115.700 0.008 0.000 2.438 196 S HA 0.283 4.753 4.470 0.001 0.000 0.293 196 S C -0.014 174.600 174.600 0.023 0.000 1.141 196 S CA -0.595 57.622 58.200 0.029 0.000 1.080 196 S CB 0.847 64.085 63.200 0.064 0.000 0.978 196 S HN 0.399 nan 8.310 nan 0.000 0.479 197 E N 1.329 121.537 120.200 0.013 0.000 2.227 197 E HA 0.397 4.747 4.350 0.001 0.000 0.268 197 E C -1.126 175.467 176.600 -0.011 0.000 0.907 197 E CA -1.001 55.400 56.400 0.002 0.000 0.786 197 E CB 1.773 31.472 29.700 -0.001 0.000 1.191 197 E HN 0.309 nan 8.360 nan 0.000 0.411 198 L N 2.795 124.004 121.223 -0.022 0.000 2.290 198 L HA 0.252 4.592 4.340 0.001 0.000 0.284 198 L C -1.012 175.837 176.870 -0.036 0.000 1.078 198 L CA -0.094 54.722 54.840 -0.040 0.000 0.815 198 L CB 0.216 42.243 42.059 -0.054 0.000 1.162 198 L HN 0.244 nan 8.230 nan 0.000 0.435 199 K N 4.889 125.265 120.400 -0.040 0.000 2.323 199 K HA 0.640 4.960 4.320 0.001 0.000 0.259 199 K C -1.409 175.164 176.600 -0.045 0.000 0.947 199 K CA -0.540 55.725 56.287 -0.036 0.000 0.819 199 K CB 2.187 34.669 32.500 -0.030 0.000 1.109 199 K HN 0.396 nan 8.250 nan 0.000 0.429 200 V N 1.940 121.829 119.914 -0.041 0.000 2.577 200 V HA 0.448 4.569 4.120 0.001 0.000 0.303 200 V C -0.231 175.841 176.094 -0.037 0.000 1.042 200 V CA -0.682 61.591 62.300 -0.045 0.000 0.872 200 V CB 1.818 33.612 31.823 -0.048 0.000 0.998 200 V HN 0.958 nan 8.190 nan 0.000 0.423 201 S N 3.354 119.032 115.700 -0.037 0.000 2.740 201 S HA 0.823 5.294 4.470 0.001 0.000 0.300 201 S C 1.042 175.623 174.600 -0.031 0.000 1.147 201 S CA -0.036 58.146 58.200 -0.031 0.000 0.871 201 S CB 1.917 65.101 63.200 -0.027 0.000 1.173 201 S HN 1.056 nan 8.310 nan 0.000 0.510 202 A N 0.692 123.496 122.820 -0.027 0.000 1.972 202 A HA -0.043 4.278 4.320 0.001 0.000 0.219 202 A C 1.423 178.991 177.584 -0.027 0.000 1.169 202 A CA 1.909 53.931 52.037 -0.026 0.000 0.635 202 A CB -0.997 17.990 19.000 -0.021 0.000 0.810 202 A HN 0.918 nan 8.150 nan 0.000 0.446 203 D N -2.591 117.794 120.400 -0.026 0.000 2.433 203 D HA 0.232 4.873 4.640 0.001 0.000 0.211 203 D C 0.094 176.375 176.300 -0.032 0.000 1.114 203 D CA -0.021 53.964 54.000 -0.026 0.000 0.837 203 D CB -0.283 40.505 40.800 -0.020 0.000 0.984 203 D HN 0.334 nan 8.370 nan 0.000 0.505 204 N N -1.208 117.469 118.700 -0.039 0.000 3.127 204 N HA 0.462 5.202 4.740 0.001 0.000 0.239 204 N C -2.254 173.222 175.510 -0.057 0.000 1.407 204 N CA -0.663 52.357 53.050 -0.049 0.000 0.891 204 N CB 1.799 40.259 38.487 -0.045 0.000 1.447 204 N HN -0.177 nan 8.380 nan 0.000 0.507 205 V N 0.628 120.499 119.914 -0.072 0.000 2.971 205 V HA 0.878 4.998 4.120 0.001 0.000 0.309 205 V C -0.932 175.109 176.094 -0.088 0.000 1.130 205 V CA -0.482 61.770 62.300 -0.080 0.000 0.964 205 V CB 1.670 33.435 31.823 -0.096 0.000 1.029 205 V HN 0.949 nan 8.190 nan 0.000 0.427 206 S N 3.870 119.523 115.700 -0.078 0.000 2.587 206 S HA 0.792 5.262 4.470 0.001 0.000 0.269 206 S C -2.117 172.448 174.600 -0.058 0.000 1.154 206 S CA -0.797 57.359 58.200 -0.073 0.000 0.824 206 S CB 1.916 65.082 63.200 -0.056 0.000 1.118 206 S HN 0.428 nan 8.310 nan 0.000 0.462 207 L N 2.892 124.088 121.223 -0.044 0.000 2.333 207 L HA 0.684 5.025 4.340 0.001 0.000 0.280 207 L C 0.883 177.757 176.870 0.006 0.000 1.004 207 L CA 0.026 54.855 54.840 -0.017 0.000 0.820 207 L CB 1.419 43.478 42.059 0.000 0.000 1.247 207 L HN 1.201 nan 8.230 nan 0.000 0.416 208 T N -0.230 114.330 114.554 0.010 0.000 2.849 208 T HA 0.815 5.165 4.350 0.001 0.000 0.276 208 T C 0.626 175.347 174.700 0.035 0.000 0.971 208 T CA 0.207 62.317 62.100 0.018 0.000 0.949 208 T CB 1.731 70.606 68.868 0.010 0.000 1.093 208 T HN 1.098 nan 8.240 nan 0.000 0.545 209 G N 0.454 109.275 108.800 0.035 0.000 2.539 209 G HA2 0.041 4.002 3.960 0.001 0.000 0.256 209 G HA3 0.041 4.002 3.960 0.001 0.000 0.256 209 G C 1.070 176.007 174.900 0.062 0.000 1.233 209 G CA 0.605 45.728 45.100 0.039 0.000 0.936 209 G HN 1.679 nan 8.290 nan 0.000 0.571 210 A N -1.201 121.645 122.820 0.044 0.000 1.972 210 A HA 0.202 4.523 4.320 0.001 0.000 0.219 210 A C 2.766 180.511 177.584 0.268 0.000 1.169 210 A CA 3.306 55.395 52.037 0.087 0.000 0.635 210 A CB -0.575 18.349 19.000 -0.127 0.000 0.810 210 A HN 1.544 nan 8.150 nan 0.000 0.446 211 V N 0.927 120.995 119.914 0.256 0.000 2.261 211 V HA -0.270 3.851 4.120 0.001 0.000 0.246 211 V C 3.005 179.234 176.094 0.224 0.000 1.047 211 V CA 2.522 65.022 62.300 0.333 0.000 1.015 211 V CB -1.020 30.969 31.823 0.276 0.000 0.642 211 V HN 0.794 nan 8.190 nan 0.000 0.446 212 S N 0.092 115.879 115.700 0.145 0.000 2.387 212 S HA -0.137 4.334 4.470 0.001 0.000 0.226 212 S C 1.915 176.581 174.600 0.110 0.000 1.026 212 S CA 1.398 59.661 58.200 0.105 0.000 0.972 212 S CB -0.544 62.689 63.200 0.055 0.000 0.814 212 S HN 0.376 nan 8.310 nan 0.000 0.477 213 L N 2.428 123.719 121.223 0.113 0.000 1.994 213 L HA 0.152 4.492 4.340 0.001 0.000 0.208 213 L C 2.724 179.666 176.870 0.119 0.000 1.071 213 L CA 1.858 56.756 54.840 0.097 0.000 0.745 213 L CB -1.343 40.776 42.059 0.099 0.000 0.892 213 L HN 0.320 nan 8.230 nan 0.000 0.431 214 A N -1.502 121.429 122.820 0.184 0.000 1.908 214 A HA -0.270 4.051 4.320 0.001 0.000 0.218 214 A C 2.548 180.215 177.584 0.139 0.000 1.181 214 A CA 2.152 54.291 52.037 0.171 0.000 0.627 214 A CB -1.249 17.869 19.000 0.197 0.000 0.818 214 A HN 0.568 nan 8.150 nan 0.000 0.445 215 S N -1.316 114.491 115.700 0.179 0.000 2.382 215 S HA -0.163 4.308 4.470 0.001 0.000 0.228 215 S C 2.061 176.851 174.600 0.318 0.000 1.027 215 S CA 1.702 60.073 58.200 0.285 0.000 0.991 215 S CB -0.380 62.979 63.200 0.265 0.000 0.823 215 S HN 0.598 nan 8.310 nan 0.000 0.469 216 M N -0.047 119.647 119.600 0.157 0.000 2.160 216 M HA 0.007 4.487 4.480 0.001 0.000 0.264 216 M C 1.700 177.946 176.300 -0.089 0.000 1.073 216 M CA 1.179 56.508 55.300 0.048 0.000 1.142 216 M CB -0.212 32.384 32.600 -0.007 0.000 1.358 216 M HN 0.346 nan 8.290 nan 0.000 0.422 217 L N 0.633 121.793 121.223 -0.106 0.000 2.012 217 L HA -0.186 4.155 4.340 0.001 0.000 0.210 217 L C 2.809 179.422 176.870 -0.429 0.000 1.073 217 L CA 2.443 57.113 54.840 -0.284 0.000 0.748 217 L CB -1.519 40.487 42.059 -0.088 0.000 0.891 217 L HN 0.504 nan 8.230 nan 0.000 0.431 218 T N -3.600 110.899 114.554 -0.092 0.000 2.867 218 T HA -0.207 4.143 4.350 0.001 0.000 0.268 218 T C 1.759 176.478 174.700 0.032 0.000 1.057 218 T CA 1.203 63.364 62.100 0.102 0.000 1.136 218 T CB -0.280 68.700 68.868 0.185 0.000 0.874 218 T HN 0.246 nan 8.240 nan 0.000 0.466 219 E N 1.528 121.639 120.200 -0.148 0.000 2.106 219 E HA -0.011 4.339 4.350 0.001 0.000 0.192 219 E C 1.983 178.524 176.600 -0.099 0.000 0.984 219 E CA 0.964 57.203 56.400 -0.268 0.000 0.806 219 E CB -0.695 28.749 29.700 -0.427 0.000 0.750 219 E HN 0.671 nan 8.360 nan 0.000 0.458 220 I N -0.039 120.445 120.570 -0.143 0.000 2.226 220 I HA -0.239 3.931 4.170 0.001 0.000 0.245 220 I C 1.726 177.944 176.117 0.169 0.000 1.100 220 I CA 0.834 62.088 61.300 -0.078 0.000 1.374 220 I CB -0.355 37.496 38.000 -0.248 0.000 1.057 220 I HN 0.104 nan 8.210 nan 0.000 0.413 221 F N 0.503 120.603 119.950 0.249 0.000 2.126 221 F HA -0.228 4.300 4.527 0.001 0.000 0.299 221 F C 2.337 178.391 175.800 0.424 0.000 1.096 221 F CA 1.232 59.419 58.000 0.311 0.000 1.255 221 F CB -1.171 37.972 39.000 0.238 0.000 0.997 221 F HN 0.014 nan 8.300 nan 0.000 0.479 222 L N -0.568 120.955 121.223 0.501 0.000 2.046 222 L HA -0.199 4.141 4.340 0.001 0.000 0.208 222 L C 2.139 179.103 176.870 0.156 0.000 1.077 222 L CA 1.364 56.340 54.840 0.228 0.000 0.747 222 L CB -0.613 41.493 42.059 0.079 0.000 0.896 222 L HN -0.007 nan 8.230 nan 0.000 0.432 223 L N -0.456 120.890 121.223 0.206 0.000 2.046 223 L HA -0.236 4.104 4.340 0.001 0.000 0.208 223 L C 2.620 179.789 176.870 0.499 0.000 1.077 223 L CA 1.767 56.782 54.840 0.291 0.000 0.747 223 L CB -1.148 41.015 42.059 0.173 0.000 0.896 223 L HN 0.410 nan 8.230 nan 0.000 0.432 224 Q N -1.374 118.726 119.800 0.501 0.000 2.061 224 Q HA -0.303 4.038 4.340 0.001 0.000 0.204 224 Q C 2.231 178.320 176.000 0.149 0.000 0.984 224 Q CA 1.826 57.803 55.803 0.289 0.000 0.846 224 Q CB -0.219 28.688 28.738 0.281 0.000 0.902 224 Q HN 0.437 nan 8.270 nan 0.000 0.421 225 Q N 0.661 120.574 119.800 0.189 0.000 2.030 225 Q HA -0.177 4.163 4.340 0.001 0.000 0.204 225 Q C 1.917 177.917 176.000 0.001 0.000 0.986 225 Q CA 2.063 57.903 55.803 0.063 0.000 0.843 225 Q CB -0.482 28.168 28.738 -0.147 0.000 0.904 225 Q HN 0.375 nan 8.270 nan 0.000 0.420 226 A N -0.177 122.652 122.820 0.016 0.000 1.972 226 A HA -0.202 4.119 4.320 0.001 0.000 0.219 226 A C 2.010 179.635 177.584 0.068 0.000 1.169 226 A CA 1.697 53.751 52.037 0.029 0.000 0.635 226 A CB -0.685 18.345 19.000 0.050 0.000 0.810 226 A HN 0.509 nan 8.150 nan 0.000 0.446 227 Q N -0.759 119.104 119.800 0.103 0.000 2.369 227 Q HA 0.182 4.523 4.340 0.001 0.000 0.206 227 Q C 1.110 177.093 176.000 -0.028 0.000 0.963 227 Q CA 1.335 57.173 55.803 0.059 0.000 0.894 227 Q CB -0.435 28.282 28.738 -0.035 0.000 0.965 227 Q HN 1.073 nan 8.270 nan 0.000 0.475 228 G N -0.132 108.653 108.800 -0.024 0.000 2.132 228 G HA2 -0.270 3.691 3.960 0.001 0.000 0.234 228 G HA3 -0.270 3.691 3.960 0.001 0.000 0.234 228 G C -0.073 174.789 174.900 -0.064 0.000 0.989 228 G CA 0.260 45.341 45.100 -0.031 0.000 0.676 228 G HN 0.297 nan 8.290 nan 0.000 0.522 229 M N 0.112 119.648 119.600 -0.107 0.000 2.245 229 M HA 0.166 4.647 4.480 0.001 0.000 0.344 229 M C -0.313 175.948 176.300 -0.064 0.000 1.170 229 M CA -1.085 54.133 55.300 -0.136 0.000 1.135 229 M CB 0.253 32.722 32.600 -0.219 0.000 1.574 229 M HN -0.086 nan 8.290 nan 0.000 0.452 230 P HA -0.202 nan 4.420 nan 0.000 0.214 230 P C -0.618 176.676 177.300 -0.010 0.000 1.164 230 P CA 1.602 64.685 63.100 -0.027 0.000 0.942 230 P CB 0.200 31.883 31.700 -0.028 0.000 0.791 231 E N -1.562 118.623 120.200 -0.025 0.000 2.675 231 E HA 0.281 4.632 4.350 0.001 0.000 0.236 231 E C -2.579 173.981 176.600 -0.067 0.000 1.059 231 E CA -2.031 54.357 56.400 -0.019 0.000 0.775 231 E CB 1.031 30.728 29.700 -0.005 0.000 1.356 231 E HN 0.166 nan 8.360 nan 0.000 0.403 232 P HA -0.019 nan 4.420 nan 0.000 0.266 232 P C 0.781 177.948 177.300 -0.222 0.000 1.195 232 P CA 0.667 63.764 63.100 -0.007 0.000 0.768 232 P CB 0.604 32.457 31.700 0.254 0.000 0.838 233 G N 2.549 111.082 108.800 -0.446 0.000 2.225 233 G HA2 -0.237 3.724 3.960 0.001 0.000 0.267 233 G HA3 -0.237 3.724 3.960 0.001 0.000 0.267 233 G C 0.164 174.904 174.900 -0.266 0.000 1.024 233 G CA 0.021 44.655 45.100 -0.777 0.000 0.784 233 G HN 0.615 nan 8.290 nan 0.000 0.507 234 W N -2.052 119.164 121.300 -0.139 0.000 5.121 234 W HA -0.221 4.439 4.660 0.001 0.000 0.372 234 W C 1.530 177.983 176.519 -0.110 0.000 1.394 234 W CA 1.457 58.733 57.345 -0.115 0.000 0.885 234 W CB -2.035 27.340 29.460 -0.142 0.000 2.520 234 W HN 2.096 nan 8.180 nan 0.000 1.455 235 G N -0.766 108.037 108.800 0.005 0.000 2.189 235 G HA2 -0.415 3.546 3.960 0.001 0.000 0.267 235 G HA3 -0.415 3.546 3.960 0.001 0.000 0.267 235 G C 0.983 175.858 174.900 -0.042 0.000 0.975 235 G CA 0.859 45.954 45.100 -0.008 0.000 0.644 235 G HN 0.331 nan 8.290 nan 0.000 0.537 236 R N -0.272 120.185 120.500 -0.073 0.000 2.313 236 R HA 0.411 4.752 4.340 0.001 0.000 0.199 236 R C 0.874 177.043 176.300 -0.217 0.000 0.958 236 R CA 0.310 56.343 56.100 -0.112 0.000 1.047 236 R CB 0.103 30.354 30.300 -0.082 0.000 0.955 236 R HN 0.524 nan 8.270 nan 0.000 0.481 237 I N 0.836 121.227 120.570 -0.298 0.000 2.371 237 I HA 0.130 4.301 4.170 0.001 0.000 0.282 237 I C 0.651 176.610 176.117 -0.263 0.000 1.031 237 I CA -0.217 60.803 61.300 -0.466 0.000 1.180 237 I CB 1.756 39.204 38.000 -0.921 0.000 1.336 237 I HN 0.072 nan 8.210 nan 0.000 0.467 238 T N -0.270 114.183 114.554 -0.169 0.000 3.044 238 T HA 0.187 4.538 4.350 0.001 0.000 0.260 238 T C 0.134 174.856 174.700 0.038 0.000 1.019 238 T CA -0.241 61.839 62.100 -0.033 0.000 0.921 238 T CB 0.001 68.856 68.868 -0.023 0.000 1.053 238 T HN 0.639 nan 8.240 nan 0.000 0.533 239 D N 0.374 120.792 120.400 0.030 0.000 2.599 239 D HA 0.188 4.828 4.640 0.001 0.000 0.252 239 D C 0.917 177.357 176.300 0.233 0.000 1.232 239 D CA -0.046 54.036 54.000 0.136 0.000 0.819 239 D CB 1.573 42.440 40.800 0.110 0.000 1.401 239 D HN 0.068 nan 8.370 nan 0.000 0.429 240 S N 0.109 115.955 115.700 0.243 0.000 2.374 240 S HA -0.305 4.166 4.470 0.001 0.000 0.227 240 S C 1.561 176.247 174.600 0.144 0.000 1.037 240 S CA 1.197 59.531 58.200 0.224 0.000 1.024 240 S CB -0.965 62.267 63.200 0.054 0.000 0.861 240 S HN 0.576 nan 8.310 nan 0.000 0.456 241 H N 1.892 121.026 119.070 0.107 0.000 2.387 241 H HA -0.043 4.513 4.556 0.001 0.000 0.299 241 H C 2.480 177.832 175.328 0.039 0.000 1.099 241 H CA 1.997 58.084 56.048 0.064 0.000 1.315 241 H CB -0.280 29.500 29.762 0.031 0.000 1.380 241 H HN 0.686 nan 8.280 nan 0.000 0.513 242 Q N -0.781 119.080 119.800 0.101 0.000 2.119 242 Q HA -0.173 4.168 4.340 0.001 0.000 0.201 242 Q C 2.266 178.217 176.000 -0.081 0.000 0.972 242 Q CA 1.003 56.773 55.803 -0.056 0.000 0.847 242 Q CB -0.203 28.410 28.738 -0.208 0.000 0.903 242 Q HN 0.506 nan 8.270 nan 0.000 0.433 243 W N 1.721 123.037 121.300 0.027 0.000 2.358 243 W HA -0.153 4.508 4.660 0.001 0.000 0.303 243 W C 2.059 178.592 176.519 0.023 0.000 1.208 243 W CA 0.621 57.981 57.345 0.025 0.000 1.274 243 W CB -0.145 29.324 29.460 0.015 0.000 1.138 243 W HN 0.179 nan 8.180 nan 0.000 0.515 244 N N -0.503 118.341 118.700 0.240 0.000 2.106 244 N HA -0.125 4.616 4.740 0.001 0.000 0.188 244 N C 1.552 177.119 175.510 0.095 0.000 1.029 244 N CA 2.150 55.281 53.050 0.133 0.000 0.848 244 N CB -1.196 37.330 38.487 0.065 0.000 1.007 244 N HN 0.066 nan 8.380 nan 0.000 0.423 245 T N 2.434 117.036 114.554 0.080 0.000 2.684 245 T HA -0.059 4.292 4.350 0.001 0.000 0.267 245 T C 2.193 176.904 174.700 0.019 0.000 1.036 245 T CA 0.811 62.933 62.100 0.037 0.000 1.148 245 T CB -0.344 68.540 68.868 0.028 0.000 0.863 245 T HN 0.124 nan 8.240 nan 0.000 0.436 246 L N 0.400 121.649 121.223 0.044 0.000 1.994 246 L HA -0.056 4.285 4.340 0.001 0.000 0.208 246 L C 2.479 179.415 176.870 0.109 0.000 1.071 246 L CA 0.906 55.788 54.840 0.071 0.000 0.745 246 L CB -0.516 41.600 42.059 0.096 0.000 0.892 246 L HN 0.231 nan 8.230 nan 0.000 0.431 247 L N 0.006 121.325 121.223 0.160 0.000 2.275 247 L HA -0.130 4.211 4.340 0.001 0.000 0.215 247 L C 2.855 179.797 176.870 0.121 0.000 1.119 247 L CA 1.806 56.743 54.840 0.161 0.000 0.790 247 L CB -1.296 40.862 42.059 0.165 0.000 0.919 247 L HN 0.447 nan 8.230 nan 0.000 0.443 248 S N -0.639 115.095 115.700 0.057 0.000 2.419 248 S HA -0.179 4.292 4.470 0.001 0.000 0.235 248 S C 1.938 176.534 174.600 -0.006 0.000 1.019 248 S CA 0.648 58.853 58.200 0.009 0.000 0.982 248 S CB -0.392 62.789 63.200 -0.031 0.000 0.789 248 S HN 0.252 nan 8.310 nan 0.000 0.490 249 L N 1.374 122.581 121.223 -0.027 0.000 2.141 249 L HA 0.079 4.420 4.340 0.001 0.000 0.209 249 L C 2.472 179.395 176.870 0.089 0.000 1.094 249 L CA 1.725 56.520 54.840 -0.075 0.000 0.763 249 L CB -1.396 40.542 42.059 -0.202 0.000 0.908 249 L HN 0.506 nan 8.230 nan 0.000 0.437 250 H N -0.456 118.640 119.070 0.044 0.000 2.307 250 H HA -0.040 4.517 4.556 0.002 0.000 0.303 250 H C 2.004 177.412 175.328 0.134 0.000 1.073 250 H CA 1.708 57.813 56.048 0.094 0.000 1.338 250 H CB 0.163 29.942 29.762 0.028 0.000 1.389 250 H HN 0.231 nan 8.280 nan 0.000 0.503 251 N N 0.547 119.282 118.700 0.058 0.000 2.223 251 N HA -0.119 4.621 4.740 0.001 0.000 0.185 251 N C 1.906 177.498 175.510 0.137 0.000 1.016 251 N CA 1.061 54.123 53.050 0.020 0.000 0.863 251 N CB -0.465 38.027 38.487 0.008 0.000 0.983 251 N HN 0.509 nan 8.380 nan 0.000 0.429 252 A N 1.134 124.046 122.820 0.154 0.000 1.902 252 A HA -0.193 4.128 4.320 0.001 0.000 0.217 252 A C 2.203 180.035 177.584 0.414 0.000 1.181 252 A CA 1.360 53.579 52.037 0.303 0.000 0.623 252 A CB -0.630 18.500 19.000 0.216 0.000 0.818 252 A HN 0.335 nan 8.150 nan 0.000 0.443 253 Q N -1.657 118.316 119.800 0.289 0.000 2.079 253 Q HA -0.163 4.178 4.340 0.001 0.000 0.200 253 Q C 1.714 177.776 176.000 0.103 0.000 0.974 253 Q CA 1.584 57.499 55.803 0.187 0.000 0.840 253 Q CB -0.197 28.623 28.738 0.137 0.000 0.898 253 Q HN 0.606 nan 8.270 nan 0.000 0.430 254 F N -0.506 119.410 119.950 -0.058 0.000 2.216 254 F HA -0.183 4.344 4.527 0.001 0.000 0.300 254 F C 2.100 177.894 175.800 -0.010 0.000 1.085 254 F CA 1.068 59.028 58.000 -0.067 0.000 1.326 254 F CB -0.677 38.256 39.000 -0.112 0.000 1.027 254 F HN 0.247 nan 8.300 nan 0.000 0.497 255 Y N 0.006 120.367 120.300 0.102 0.000 2.145 255 Y HA -0.232 4.318 4.550 0.000 0.000 0.286 255 Y C 2.061 177.941 175.900 -0.033 0.000 1.145 255 Y CA 1.491 59.611 58.100 0.033 0.000 1.148 255 Y CB -0.533 37.977 38.460 0.083 0.000 0.981 255 Y HN -0.039 nan 8.280 nan 0.000 0.507 256 L N -0.246 120.920 121.223 -0.095 0.000 2.023 256 L HA -0.156 4.184 4.340 0.001 0.000 0.205 256 L C 2.310 179.023 176.870 -0.261 0.000 1.073 256 L CA 1.766 56.437 54.840 -0.282 0.000 0.745 256 L CB -1.062 40.819 42.059 -0.298 0.000 0.900 256 L HN 0.298 nan 8.230 nan 0.000 0.435 257 L N -1.849 119.242 121.223 -0.219 0.000 2.249 257 L HA -0.033 4.307 4.340 0.001 0.000 0.207 257 L C 2.181 178.915 176.870 -0.225 0.000 1.090 257 L CA 0.409 55.113 54.840 -0.227 0.000 0.802 257 L CB -0.352 41.555 42.059 -0.254 0.000 0.947 257 L HN 0.262 nan 8.230 nan 0.000 0.453 258 Q N -0.377 119.283 119.800 -0.233 0.000 2.392 258 Q HA 0.106 4.447 4.340 0.001 0.000 0.219 258 Q C 2.049 177.999 176.000 -0.082 0.000 0.895 258 Q CA 0.522 56.228 55.803 -0.162 0.000 0.929 258 Q CB 0.536 29.162 28.738 -0.187 0.000 1.077 258 Q HN 0.429 nan 8.270 nan 0.000 0.532 259 R N 0.246 120.681 120.500 -0.109 0.000 2.189 259 R HA 0.136 4.477 4.340 0.001 0.000 0.203 259 R C 0.258 176.458 176.300 -0.167 0.000 1.012 259 R CA 0.218 56.250 56.100 -0.113 0.000 1.015 259 R CB 0.215 30.445 30.300 -0.115 0.000 0.938 259 R HN 0.022 nan 8.270 nan 0.000 0.472 260 T N 3.466 117.880 114.554 -0.234 0.000 2.822 260 T HA -0.015 4.336 4.350 0.001 0.000 0.288 260 T C -1.885 172.736 174.700 -0.132 0.000 0.991 260 T CA -0.755 61.214 62.100 -0.219 0.000 1.176 260 T CB 0.972 69.706 68.868 -0.224 0.000 0.951 260 T HN 0.019 nan 8.240 nan 0.000 0.526 261 P HA -0.130 nan 4.420 nan 0.000 0.216 261 P C 1.311 178.574 177.300 -0.061 0.000 1.154 261 P CA 0.956 64.017 63.100 -0.066 0.000 0.865 261 P CB 0.167 31.835 31.700 -0.053 0.000 0.789 262 E N -1.310 118.848 120.200 -0.070 0.000 2.331 262 E HA -0.102 4.249 4.350 0.001 0.000 0.199 262 E C 1.681 178.244 176.600 -0.062 0.000 1.008 262 E CA 0.795 57.158 56.400 -0.062 0.000 0.843 262 E CB -0.604 29.057 29.700 -0.065 0.000 0.761 262 E HN 0.151 nan 8.360 nan 0.000 0.507 263 V N -0.758 119.112 119.914 -0.073 0.000 2.806 263 V HA 0.126 4.247 4.120 0.001 0.000 0.239 263 V C 1.984 178.046 176.094 -0.055 0.000 1.113 263 V CA 0.874 63.132 62.300 -0.070 0.000 1.137 263 V CB -0.428 31.340 31.823 -0.093 0.000 0.865 263 V HN 0.276 nan 8.190 nan 0.000 0.482 264 A N 0.835 123.623 122.820 -0.054 0.000 1.873 264 A HA -0.273 4.048 4.320 0.001 0.000 0.218 264 A C 2.302 179.877 177.584 -0.016 0.000 1.193 264 A CA 2.259 54.279 52.037 -0.028 0.000 0.629 264 A CB -0.615 18.371 19.000 -0.022 0.000 0.826 264 A HN 0.466 nan 8.150 nan 0.000 0.447 265 R N -0.431 120.055 120.500 -0.023 0.000 2.096 265 R HA -0.134 4.206 4.340 0.001 0.000 0.240 265 R C 2.595 178.879 176.300 -0.026 0.000 1.139 265 R CA 1.791 57.878 56.100 -0.023 0.000 0.952 265 R CB -0.691 29.592 30.300 -0.029 0.000 0.854 265 R HN 0.553 nan 8.270 nan 0.000 0.436 266 S N 0.401 116.084 115.700 -0.030 0.000 2.348 266 S HA -0.134 4.336 4.470 0.001 0.000 0.221 266 S C 1.894 176.480 174.600 -0.024 0.000 1.033 266 S CA 1.083 59.266 58.200 -0.029 0.000 1.010 266 S CB -0.218 62.964 63.200 -0.031 0.000 0.891 266 S HN 0.302 nan 8.310 nan 0.000 0.442 267 R N 0.800 121.288 120.500 -0.019 0.000 2.193 267 R HA 0.012 4.353 4.340 0.001 0.000 0.229 267 R C 1.683 177.984 176.300 0.001 0.000 1.110 267 R CA 1.105 57.201 56.100 -0.007 0.000 0.988 267 R CB -0.172 30.124 30.300 -0.007 0.000 0.871 267 R HN 0.380 nan 8.270 nan 0.000 0.458 268 A N -1.295 121.524 122.820 -0.003 0.000 2.348 268 A HA 0.114 4.434 4.320 0.001 0.000 0.224 268 A C 1.615 179.180 177.584 -0.032 0.000 1.227 268 A CA 0.150 52.186 52.037 -0.002 0.000 0.885 268 A CB 0.134 19.149 19.000 0.026 0.000 0.933 268 A HN 0.237 nan 8.150 nan 0.000 0.506 269 T N 1.723 116.254 114.554 -0.038 0.000 2.652 269 T HA -0.102 4.249 4.350 0.001 0.000 0.267 269 T C -0.271 174.388 174.700 -0.068 0.000 1.039 269 T CA 2.167 64.235 62.100 -0.053 0.000 1.153 269 T CB -0.988 67.852 68.868 -0.047 0.000 0.863 269 T HN 0.342 nan 8.240 nan 0.000 0.428 270 P HA -0.026 nan 4.420 nan 0.000 0.216 270 P C 1.537 178.765 177.300 -0.119 0.000 1.153 270 P CA 0.968 64.017 63.100 -0.085 0.000 0.858 270 P CB -0.163 31.486 31.700 -0.085 0.000 0.789 271 L N -1.776 119.364 121.223 -0.138 0.000 2.093 271 L HA -0.139 4.202 4.340 0.001 0.000 0.208 271 L C 2.420 179.205 176.870 -0.141 0.000 1.085 271 L CA 1.075 55.816 54.840 -0.164 0.000 0.755 271 L CB -0.773 41.200 42.059 -0.143 0.000 0.904 271 L HN -0.020 nan 8.230 nan 0.000 0.435 272 L N -0.530 120.626 121.223 -0.112 0.000 2.046 272 L HA -0.248 4.093 4.340 0.001 0.000 0.208 272 L C 2.256 179.045 176.870 -0.135 0.000 1.077 272 L CA 1.181 55.944 54.840 -0.127 0.000 0.747 272 L CB -0.633 41.362 42.059 -0.106 0.000 0.896 272 L HN 0.300 nan 8.230 nan 0.000 0.432 273 D N 0.041 120.374 120.400 -0.111 0.000 2.097 273 D HA -0.201 4.439 4.640 0.001 0.000 0.195 273 D C 2.262 178.508 176.300 -0.089 0.000 0.989 273 D CA 1.051 54.993 54.000 -0.097 0.000 0.827 273 D CB -0.186 40.567 40.800 -0.078 0.000 0.966 273 D HN 0.232 nan 8.370 nan 0.000 0.456 274 L N 0.614 121.779 121.223 -0.096 0.000 1.989 274 L HA -0.171 4.170 4.340 0.001 0.000 0.211 274 L C 2.430 179.242 176.870 -0.096 0.000 1.071 274 L CA 1.069 55.857 54.840 -0.087 0.000 0.749 274 L CB -0.227 41.761 42.059 -0.119 0.000 0.890 274 L HN 0.017 nan 8.230 nan 0.000 0.431 275 I N -0.198 120.282 120.570 -0.151 0.000 2.163 275 I HA -0.385 3.786 4.170 0.001 0.000 0.243 275 I C 2.652 178.720 176.117 -0.080 0.000 1.085 275 I CA 1.529 62.710 61.300 -0.199 0.000 1.347 275 I CB -0.410 37.341 38.000 -0.416 0.000 1.044 275 I HN 0.300 nan 8.210 nan 0.000 0.408 276 K N 0.318 120.688 120.400 -0.050 0.000 2.002 276 K HA -0.230 4.090 4.320 0.001 0.000 0.209 276 K C 2.270 178.881 176.600 0.018 0.000 1.048 276 K CA 2.130 58.432 56.287 0.025 0.000 0.930 276 K CB -0.240 32.211 32.500 -0.081 0.000 0.714 276 K HN 0.171 nan 8.250 nan 0.000 0.438 277 T N -0.276 114.265 114.554 -0.021 0.000 2.833 277 T HA -0.074 4.276 4.350 0.001 0.000 0.269 277 T C 1.630 176.405 174.700 0.124 0.000 1.054 277 T CA 1.354 63.452 62.100 -0.003 0.000 1.135 277 T CB -0.195 68.664 68.868 -0.015 0.000 0.869 277 T HN 0.403 nan 8.240 nan 0.000 0.466 278 A N 0.324 123.184 122.820 0.066 0.000 2.014 278 A HA 0.244 4.565 4.320 0.001 0.000 0.218 278 A C 2.150 179.769 177.584 0.059 0.000 1.163 278 A CA 0.835 52.908 52.037 0.060 0.000 0.652 278 A CB -0.424 18.576 19.000 0.000 0.000 0.808 278 A HN 0.573 nan 8.150 nan 0.000 0.449 279 L N -0.450 120.808 121.223 0.058 0.000 2.529 279 L HA 0.056 4.396 4.340 0.001 0.000 0.223 279 L C 0.194 177.114 176.870 0.083 0.000 1.113 279 L CA 0.149 55.023 54.840 0.055 0.000 0.861 279 L CB 0.001 42.089 42.059 0.048 0.000 1.012 279 L HN 0.127 nan 8.230 nan 0.000 0.461 280 T N 1.659 116.281 114.554 0.112 0.000 2.780 280 T HA 0.257 4.608 4.350 0.001 0.000 0.294 280 T C -2.363 172.470 174.700 0.222 0.000 0.949 280 T CA -1.183 60.983 62.100 0.109 0.000 1.074 280 T CB 1.243 70.123 68.868 0.020 0.000 0.910 280 T HN -0.165 nan 8.240 nan 0.000 0.501 281 P HA 0.193 nan 4.420 nan 0.000 0.271 281 P C -0.391 177.058 177.300 0.248 0.000 1.220 281 P CA 0.123 63.308 63.100 0.141 0.000 0.768 281 P CB 0.364 32.101 31.700 0.062 0.000 0.848 282 H N 1.320 120.384 119.070 -0.010 0.000 2.921 282 H HA 0.273 4.830 4.556 0.002 0.000 0.287 282 H C -3.242 172.080 175.328 -0.010 0.000 1.434 282 H CA -2.063 53.979 56.048 -0.010 0.000 1.178 282 H CB -0.101 29.654 29.762 -0.011 0.000 1.836 282 H HN 0.127 nan 8.280 nan 0.000 0.495 283 P HA 0.163 nan 4.420 nan 0.000 0.262 283 P C -2.590 174.607 177.300 -0.171 0.000 1.199 283 P CA -0.722 62.331 63.100 -0.077 0.000 0.763 283 P CB -0.183 31.516 31.700 -0.000 0.000 0.790 284 P HA 0.020 nan 4.420 nan 0.000 0.267 284 P C -0.574 176.673 177.300 -0.088 0.000 1.201 284 P CA 0.587 63.593 63.100 -0.157 0.000 0.775 284 P CB 0.282 31.919 31.700 -0.105 0.000 0.854 285 Q N -0.566 119.193 119.800 -0.069 0.000 2.599 285 Q HA 0.245 4.586 4.340 0.001 0.000 0.248 285 Q C -1.160 174.826 176.000 -0.022 0.000 0.964 285 Q CA -1.128 54.657 55.803 -0.030 0.000 1.011 285 Q CB 0.724 29.458 28.738 -0.007 0.000 1.592 285 Q HN 0.135 nan 8.270 nan 0.000 0.443 286 K N 2.326 122.714 120.400 -0.019 0.000 2.437 286 K HA -0.069 4.252 4.320 0.001 0.000 0.277 286 K C -0.468 176.126 176.600 -0.010 0.000 1.073 286 K CA 0.811 57.087 56.287 -0.019 0.000 1.105 286 K CB 0.663 33.154 32.500 -0.015 0.000 0.881 286 K HN 0.685 nan 8.250 nan 0.000 0.475 287 Q N 2.814 122.609 119.800 -0.007 0.000 3.182 287 Q HA 0.500 4.841 4.340 0.001 0.000 0.212 287 Q C -0.795 175.212 176.000 0.011 0.000 1.099 287 Q CA -0.625 55.184 55.803 0.009 0.000 0.680 287 Q CB 0.885 29.641 28.738 0.029 0.000 3.554 287 Q HN 0.732 nan 8.270 nan 0.000 0.361 288 A N -0.171 122.674 122.820 0.041 0.000 2.531 288 A HA 0.125 4.445 4.320 0.001 0.000 0.236 288 A C -0.889 176.795 177.584 0.168 0.000 1.062 288 A CA 0.604 52.662 52.037 0.035 0.000 0.760 288 A CB -0.662 18.394 19.000 0.094 0.000 0.995 288 A HN 0.809 nan 8.150 nan 0.000 0.501 289 Y N -0.211 120.073 120.300 -0.026 0.000 4.881 289 Y HA -0.274 4.277 4.550 0.001 0.000 0.241 289 Y C 1.691 177.539 175.900 -0.086 0.000 0.985 289 Y CA 1.588 59.677 58.100 -0.018 0.000 1.976 289 Y CB -1.659 36.798 38.460 -0.005 0.000 1.528 289 Y HN 2.234 nan 8.280 nan 0.000 0.581 290 G N -1.154 107.650 108.800 0.006 0.000 2.162 290 G HA2 -0.233 3.728 3.960 0.001 0.000 0.260 290 G HA3 -0.233 3.728 3.960 0.001 0.000 0.260 290 G C -0.008 174.807 174.900 -0.143 0.000 0.976 290 G CA 0.023 45.100 45.100 -0.039 0.000 0.655 290 G HN 0.588 nan 8.290 nan 0.000 0.533 291 V N 0.966 120.776 119.914 -0.173 0.000 2.644 291 V HA 0.618 4.739 4.120 0.001 0.000 0.295 291 V C 0.786 176.831 176.094 -0.083 0.000 1.053 291 V CA 0.143 62.317 62.300 -0.210 0.000 0.987 291 V CB 1.764 33.456 31.823 -0.219 0.000 1.006 291 V HN 0.274 nan 8.190 nan 0.000 0.472 292 T N 6.495 121.008 114.554 -0.069 0.000 2.749 292 T HA 0.649 5.000 4.350 0.001 0.000 0.287 292 T C -0.423 174.246 174.700 -0.052 0.000 0.970 292 T CA -0.175 61.895 62.100 -0.049 0.000 0.980 292 T CB 0.353 69.195 68.868 -0.043 0.000 0.924 292 T HN 0.341 nan 8.240 nan 0.000 0.456 293 L N 4.842 126.031 121.223 -0.056 0.000 2.370 293 L HA 0.550 4.890 4.340 0.001 0.000 0.266 293 L C -2.449 174.291 176.870 -0.216 0.000 1.002 293 L CA -2.753 52.043 54.840 -0.072 0.000 0.818 293 L CB 2.312 44.371 42.059 -0.000 0.000 1.325 293 L HN 0.346 nan 8.230 nan 0.000 0.418 294 P HA 0.347 nan 4.420 nan 0.000 0.275 294 P C -0.696 176.545 177.300 -0.099 0.000 1.266 294 P CA -0.241 62.773 63.100 -0.144 0.000 0.793 294 P CB 1.121 32.738 31.700 -0.139 0.000 1.074 295 T N -2.002 112.520 114.554 -0.055 0.000 2.711 295 T HA 0.273 4.624 4.350 0.001 0.000 0.302 295 T C 1.051 175.733 174.700 -0.030 0.000 1.373 295 T CA -0.257 61.819 62.100 -0.040 0.000 1.000 295 T CB 0.217 69.071 68.868 -0.024 0.000 1.483 295 T HN 0.106 nan 8.240 nan 0.000 0.499 296 S N -0.247 115.439 115.700 -0.025 0.000 2.338 296 S HA 0.118 4.588 4.470 0.001 0.000 0.218 296 S C 0.461 175.053 174.600 -0.014 0.000 1.032 296 S CA 0.921 59.103 58.200 -0.030 0.000 0.999 296 S CB -0.029 63.153 63.200 -0.030 0.000 0.905 296 S HN 0.563 nan 8.310 nan 0.000 0.439 297 V N 1.933 121.858 119.914 0.018 0.000 2.638 297 V HA 0.599 4.719 4.120 0.001 0.000 0.306 297 V C -1.149 174.995 176.094 0.083 0.000 1.052 297 V CA -0.781 61.554 62.300 0.058 0.000 0.885 297 V CB 1.749 33.629 31.823 0.094 0.000 0.999 297 V HN 0.277 nan 8.190 nan 0.000 0.424 298 L N 5.240 126.514 121.223 0.084 0.000 2.376 298 L HA 0.698 5.039 4.340 0.001 0.000 0.275 298 L C -1.399 175.530 176.870 0.098 0.000 0.987 298 L CA -0.266 54.620 54.840 0.077 0.000 0.828 298 L CB 1.421 43.489 42.059 0.015 0.000 1.249 298 L HN 0.581 nan 8.230 nan 0.000 0.409 299 F N 6.299 126.221 119.950 -0.046 0.000 2.426 299 F HA 0.688 5.216 4.527 0.002 0.000 0.348 299 F C -0.840 174.892 175.800 -0.113 0.000 1.124 299 F CA -0.598 57.311 58.000 -0.151 0.000 1.008 299 F CB 1.044 39.877 39.000 -0.278 0.000 1.139 299 F HN 0.366 nan 8.300 nan 0.000 0.452 300 I N 6.410 126.625 120.570 -0.592 0.000 2.355 300 I HA 0.420 4.591 4.170 0.001 0.000 0.288 300 I C -0.296 175.544 176.117 -0.461 0.000 0.999 300 I CA -0.877 60.220 61.300 -0.338 0.000 1.163 300 I CB 1.642 39.522 38.000 -0.201 0.000 1.316 300 I HN 0.745 nan 8.210 nan 0.000 0.454 301 A N 5.510 128.200 122.820 -0.216 0.000 2.391 301 A HA 0.718 5.039 4.320 0.001 0.000 0.316 301 A C 0.431 177.865 177.584 -0.251 0.000 1.381 301 A CA -0.083 51.830 52.037 -0.207 0.000 0.998 301 A CB -0.009 18.970 19.000 -0.036 0.000 1.147 301 A HN 0.878 nan 8.150 nan 0.000 0.545 302 G N 1.082 109.750 108.800 -0.220 0.000 3.234 302 G HA2 0.625 4.586 3.960 0.001 0.000 0.159 302 G HA3 0.625 4.586 3.960 0.001 0.000 0.159 302 G C -0.326 174.249 174.900 -0.542 0.000 1.175 302 G CA -0.356 44.559 45.100 -0.308 0.000 0.900 302 G HN 0.725 nan 8.290 nan 0.000 0.621 303 H N -0.760 118.362 119.070 0.086 0.000 2.869 303 H HA 0.237 4.794 4.556 0.001 0.000 0.342 303 H C 0.483 175.902 175.328 0.153 0.000 1.250 303 H CA 0.097 56.200 56.048 0.092 0.000 1.217 303 H CB 2.001 31.816 29.762 0.089 0.000 1.917 303 H HN 0.560 nan 8.280 nan 0.000 0.586 304 D N -0.522 120.076 120.400 0.330 0.000 2.144 304 D HA -0.168 4.472 4.640 0.001 0.000 0.200 304 D C 1.653 178.219 176.300 0.444 0.000 0.978 304 D CA 1.850 56.038 54.000 0.312 0.000 0.833 304 D CB -0.883 40.054 40.800 0.228 0.000 0.961 304 D HN 0.604 nan 8.370 nan 0.000 0.470 305 T N -1.667 113.166 114.554 0.465 0.000 2.833 305 T HA -0.172 4.179 4.350 0.001 0.000 0.269 305 T C 1.645 176.495 174.700 0.251 0.000 1.054 305 T CA 1.449 63.742 62.100 0.323 0.000 1.135 305 T CB -0.852 68.084 68.868 0.114 0.000 0.869 305 T HN 0.245 nan 8.240 nan 0.000 0.466 306 N N 1.333 120.198 118.700 0.275 0.000 2.106 306 N HA 0.098 4.839 4.740 0.001 0.000 0.188 306 N C 1.886 177.535 175.510 0.232 0.000 1.029 306 N CA 1.172 54.363 53.050 0.236 0.000 0.848 306 N CB -0.408 38.242 38.487 0.271 0.000 1.007 306 N HN 0.278 nan 8.380 nan 0.000 0.423 307 L N 0.611 121.992 121.223 0.262 0.000 2.046 307 L HA -0.130 4.211 4.340 0.001 0.000 0.208 307 L C 2.544 179.641 176.870 0.379 0.000 1.077 307 L CA 1.030 56.057 54.840 0.312 0.000 0.747 307 L CB -0.590 41.653 42.059 0.307 0.000 0.896 307 L HN 0.248 nan 8.230 nan 0.000 0.432 308 A N 0.363 123.377 122.820 0.324 0.000 1.898 308 A HA -0.215 4.106 4.320 0.001 0.000 0.216 308 A C 1.995 179.675 177.584 0.160 0.000 1.181 308 A CA 2.004 54.185 52.037 0.241 0.000 0.620 308 A CB -0.813 18.393 19.000 0.343 0.000 0.819 308 A HN 0.518 nan 8.150 nan 0.000 0.442 309 N N -0.087 118.704 118.700 0.152 0.000 2.104 309 N HA -0.113 4.628 4.740 0.001 0.000 0.190 309 N C 1.614 177.194 175.510 0.116 0.000 1.024 309 N CA 1.380 54.486 53.050 0.094 0.000 0.853 309 N CB -0.310 38.224 38.487 0.079 0.000 1.008 309 N HN 0.422 nan 8.380 nan 0.000 0.424 310 L N 0.359 121.689 121.223 0.179 0.000 2.083 310 L HA -0.078 4.263 4.340 0.001 0.000 0.209 310 L C 2.582 179.608 176.870 0.260 0.000 1.083 310 L CA 1.012 55.986 54.840 0.223 0.000 0.752 310 L CB -0.703 41.533 42.059 0.296 0.000 0.899 310 L HN 0.293 nan 8.230 nan 0.000 0.433 311 G N -0.355 108.616 108.800 0.286 0.000 2.404 311 G HA2 -0.171 3.790 3.960 0.001 0.000 0.215 311 G HA3 -0.171 3.790 3.960 0.001 0.000 0.215 311 G C 1.590 176.553 174.900 0.105 0.000 1.174 311 G CA 0.691 45.940 45.100 0.248 0.000 0.780 311 G HN 0.465 nan 8.290 nan 0.000 0.537 312 G N 1.126 109.956 108.800 0.050 0.000 2.421 312 G HA2 0.039 4.000 3.960 0.001 0.000 0.216 312 G HA3 0.039 4.000 3.960 0.001 0.000 0.216 312 G C 2.070 176.988 174.900 0.031 0.000 1.171 312 G CA 1.586 46.692 45.100 0.010 0.000 0.775 312 G HN 0.643 nan 8.290 nan 0.000 0.543 313 A N 0.105 122.955 122.820 0.051 0.000 1.933 313 A HA 0.124 4.444 4.320 0.001 0.000 0.218 313 A C 2.038 179.659 177.584 0.062 0.000 1.175 313 A CA 1.176 53.238 52.037 0.042 0.000 0.628 313 A CB -0.202 18.822 19.000 0.040 0.000 0.814 313 A HN 0.297 nan 8.150 nan 0.000 0.444 314 L N -0.437 120.857 121.223 0.118 0.000 2.607 314 L HA 0.175 4.516 4.340 0.001 0.000 0.228 314 L C 0.269 177.224 176.870 0.141 0.000 1.123 314 L CA 0.575 55.505 54.840 0.149 0.000 0.890 314 L CB -1.356 40.858 42.059 0.258 0.000 1.103 314 L HN 0.524 nan 8.230 nan 0.000 0.468 315 E N 0.256 120.520 120.200 0.108 0.000 2.320 315 E HA -0.230 4.121 4.350 0.001 0.000 0.234 315 E C -0.359 176.315 176.600 0.124 0.000 1.183 315 E CA 0.169 56.622 56.400 0.089 0.000 0.713 315 E CB -1.612 28.132 29.700 0.073 0.000 1.226 315 E HN 0.326 nan 8.360 nan 0.000 0.382 316 L N 1.250 122.573 121.223 0.168 0.000 2.280 316 L HA 0.398 4.739 4.340 0.001 0.000 0.287 316 L C 0.424 177.403 176.870 0.181 0.000 1.023 316 L CA -0.528 54.468 54.840 0.259 0.000 0.819 316 L CB 0.937 43.246 42.059 0.418 0.000 1.212 316 L HN 0.066 nan 8.230 nan 0.000 0.420 317 N N 3.297 122.086 118.700 0.148 0.000 2.314 317 N HA 0.598 5.339 4.740 0.001 0.000 0.304 317 N C -1.354 174.252 175.510 0.160 0.000 1.073 317 N CA -0.374 52.657 53.050 -0.031 0.000 0.822 317 N CB 2.742 41.215 38.487 -0.022 0.000 1.280 317 N HN 0.538 nan 8.380 nan 0.000 0.489 318 W N -0.157 121.144 121.300 0.001 0.000 3.066 318 W HA 0.551 5.212 4.660 0.002 0.000 0.330 318 W C -1.455 175.031 176.519 -0.055 0.000 1.253 318 W CA -0.774 56.554 57.345 -0.028 0.000 1.187 318 W CB 0.771 30.205 29.460 -0.044 0.000 1.434 318 W HN 0.263 nan 8.180 nan 0.000 0.572 319 T N 1.925 116.622 114.554 0.239 0.000 2.912 319 T HA 0.640 4.991 4.350 0.001 0.000 0.299 319 T C -1.603 173.130 174.700 0.054 0.000 1.052 319 T CA -0.721 61.437 62.100 0.096 0.000 0.996 319 T CB 0.691 69.575 68.868 0.028 0.000 1.070 319 T HN 0.592 nan 8.240 nan 0.000 0.465 320 L N 6.439 127.606 121.223 -0.093 0.000 2.301 320 L HA 0.431 4.772 4.340 0.001 0.000 0.278 320 L C -2.088 174.729 176.870 -0.087 0.000 1.022 320 L CA -2.173 52.450 54.840 -0.361 0.000 0.854 320 L CB 1.274 42.631 42.059 -1.170 0.000 1.226 320 L HN 0.447 nan 8.230 nan 0.000 0.429 321 P HA -0.003 nan 4.420 nan 0.000 0.258 321 P C 0.941 178.352 177.300 0.184 0.000 1.187 321 P CA 0.950 64.123 63.100 0.121 0.000 0.767 321 P CB 1.058 32.828 31.700 0.118 0.000 0.770 322 G N 2.161 111.021 108.800 0.099 0.000 2.194 322 G HA2 -0.211 3.749 3.960 0.001 0.000 0.236 322 G HA3 -0.211 3.749 3.960 0.001 0.000 0.236 322 G C 0.037 174.988 174.900 0.085 0.000 0.987 322 G CA 0.004 45.158 45.100 0.089 0.000 0.635 322 G HN 0.704 nan 8.290 nan 0.000 0.520 323 Q N 0.664 120.510 119.800 0.076 0.000 2.397 323 Q HA 0.575 4.916 4.340 0.001 0.000 0.260 323 Q C -1.395 174.581 176.000 -0.040 0.000 1.002 323 Q CA -1.895 53.916 55.803 0.012 0.000 0.716 323 Q CB 2.229 30.979 28.738 0.021 0.000 1.258 323 Q HN 0.173 nan 8.270 nan 0.000 0.477 324 P HA -0.060 nan 4.420 nan 0.000 0.226 324 P C -0.308 177.003 177.300 0.020 0.000 1.153 324 P CA 0.551 63.664 63.100 0.022 0.000 0.777 324 P CB 0.459 32.215 31.700 0.094 0.000 0.794 325 D N 0.249 120.645 120.400 -0.006 0.000 2.317 325 D HA 0.069 4.710 4.640 0.001 0.000 0.234 325 D C 0.962 177.256 176.300 -0.010 0.000 1.112 325 D CA -0.460 53.543 54.000 0.004 0.000 0.840 325 D CB 0.346 41.131 40.800 -0.026 0.000 1.078 325 D HN -0.258 nan 8.370 nan 0.000 0.486 326 N N 1.716 120.420 118.700 0.007 0.000 2.364 326 N HA -0.095 4.646 4.740 0.001 0.000 0.183 326 N C 0.388 176.042 175.510 0.239 0.000 1.022 326 N CA 0.931 54.030 53.050 0.083 0.000 0.883 326 N CB 0.113 38.570 38.487 -0.050 0.000 0.965 326 N HN 0.532 nan 8.380 nan 0.000 0.438 327 T N -1.164 113.444 114.554 0.091 0.000 3.504 327 T HA 0.278 4.629 4.350 0.001 0.000 0.286 327 T C -2.880 171.846 174.700 0.043 0.000 1.530 327 T CA -1.684 60.486 62.100 0.116 0.000 1.652 327 T CB 1.903 70.822 68.868 0.084 0.000 0.895 327 T HN -0.059 nan 8.240 nan 0.000 0.674 328 P HA 0.283 nan 4.420 nan 0.000 0.272 328 P C -2.651 174.682 177.300 0.054 0.000 1.230 328 P CA -1.520 61.598 63.100 0.031 0.000 0.788 328 P CB 0.015 31.739 31.700 0.040 0.000 0.949 329 P HA -0.021 nan 4.420 nan 0.000 0.263 329 P C 1.026 178.376 177.300 0.083 0.000 1.195 329 P CA 1.232 64.368 63.100 0.060 0.000 0.762 329 P CB -0.277 31.454 31.700 0.052 0.000 0.799 330 G N 2.332 111.185 108.800 0.088 0.000 2.225 330 G HA2 -0.203 3.757 3.960 0.001 0.000 0.254 330 G HA3 -0.203 3.757 3.960 0.001 0.000 0.254 330 G C 0.607 175.579 174.900 0.119 0.000 0.988 330 G CA -0.075 45.097 45.100 0.119 0.000 0.625 330 G HN 0.885 nan 8.290 nan 0.000 0.527 331 G N 0.204 109.065 108.800 0.101 0.000 2.391 331 G HA2 0.426 4.387 3.960 0.001 0.000 0.234 331 G HA3 0.426 4.387 3.960 0.001 0.000 0.234 331 G C -0.113 174.810 174.900 0.039 0.000 1.284 331 G CA 0.452 45.608 45.100 0.093 0.000 0.873 331 G HN 0.580 nan 8.290 nan 0.000 0.549 332 E N 1.130 121.341 120.200 0.017 0.000 2.224 332 E HA 0.256 4.607 4.350 0.001 0.000 0.265 332 E C -0.732 175.796 176.600 -0.121 0.000 0.878 332 E CA -0.685 55.692 56.400 -0.038 0.000 0.759 332 E CB 2.528 32.243 29.700 0.025 0.000 1.164 332 E HN 0.281 nan 8.360 nan 0.000 0.414 333 L N 4.109 125.247 121.223 -0.142 0.000 2.261 333 L HA 0.314 4.655 4.340 0.001 0.000 0.289 333 L C -0.986 175.754 176.870 -0.216 0.000 1.059 333 L CA -0.719 53.969 54.840 -0.254 0.000 0.816 333 L CB 0.799 42.785 42.059 -0.123 0.000 1.191 333 L HN 0.342 nan 8.230 nan 0.000 0.431 334 V N 5.331 125.067 119.914 -0.296 0.000 2.370 334 V HA 0.345 4.466 4.120 0.001 0.000 0.279 334 V C -0.317 175.605 176.094 -0.288 0.000 1.029 334 V CA -0.378 61.827 62.300 -0.159 0.000 0.870 334 V CB 1.219 33.014 31.823 -0.047 0.000 0.984 334 V HN 0.404 nan 8.190 nan 0.000 0.451 335 F N 2.899 122.832 119.950 -0.028 0.000 2.444 335 F HA 0.595 5.123 4.527 0.001 0.000 0.342 335 F C 0.555 176.326 175.800 -0.048 0.000 1.121 335 F CA -0.441 57.525 58.000 -0.057 0.000 0.997 335 F CB 1.542 40.495 39.000 -0.080 0.000 1.130 335 F HN 0.466 nan 8.300 nan 0.000 0.454 336 E N 2.446 122.723 120.200 0.129 0.000 2.266 336 E HA 0.428 4.779 4.350 0.001 0.000 0.268 336 E C -0.888 175.756 176.600 0.073 0.000 0.879 336 E CA -1.199 55.235 56.400 0.056 0.000 0.762 336 E CB 2.711 32.478 29.700 0.112 0.000 1.199 336 E HN 0.389 nan 8.360 nan 0.000 0.422 337 R N 2.707 123.172 120.500 -0.058 0.000 2.295 337 R HA 0.305 4.646 4.340 0.001 0.000 0.324 337 R C -1.558 174.726 176.300 -0.026 0.000 0.968 337 R CA -0.550 55.569 56.100 0.031 0.000 0.837 337 R CB 0.685 30.985 30.300 -0.001 0.000 1.133 337 R HN 0.504 nan 8.270 nan 0.000 0.450 338 W N 3.462 124.829 121.300 0.112 0.000 2.573 338 W HA 0.447 5.107 4.660 0.001 0.000 0.326 338 W C 0.415 177.058 176.519 0.206 0.000 1.049 338 W CA -0.627 56.796 57.345 0.130 0.000 1.220 338 W CB 1.111 30.641 29.460 0.117 0.000 1.373 338 W HN 0.145 nan 8.180 nan 0.000 0.507 339 R N 3.209 123.928 120.500 0.366 0.000 2.346 339 R HA 0.387 4.728 4.340 0.001 0.000 0.311 339 R C -0.267 176.227 176.300 0.323 0.000 0.983 339 R CA -1.011 55.271 56.100 0.304 0.000 0.880 339 R CB 1.080 31.478 30.300 0.164 0.000 1.100 339 R HN 0.618 nan 8.270 nan 0.000 0.453 340 R N 5.025 125.750 120.500 0.375 0.000 2.242 340 R HA 0.104 4.445 4.340 0.001 0.000 0.334 340 R C 1.231 177.638 176.300 0.178 0.000 1.071 340 R CA -0.146 56.107 56.100 0.254 0.000 0.922 340 R CB 0.471 30.952 30.300 0.301 0.000 1.023 340 R HN 0.716 nan 8.270 nan 0.000 0.458 341 L N 2.614 123.912 121.223 0.125 0.000 2.043 341 L HA -0.278 4.063 4.340 0.001 0.000 0.212 341 L C 2.436 179.353 176.870 0.078 0.000 1.075 341 L CA 1.823 56.717 54.840 0.091 0.000 0.752 341 L CB -0.637 41.464 42.059 0.070 0.000 0.891 341 L HN 0.760 nan 8.230 nan 0.000 0.432 342 S N 0.432 116.176 115.700 0.072 0.000 2.365 342 S HA -0.225 4.246 4.470 0.001 0.000 0.225 342 S C 1.310 175.953 174.600 0.071 0.000 1.039 342 S CA 1.684 59.920 58.200 0.061 0.000 1.033 342 S CB -0.395 62.835 63.200 0.049 0.000 0.887 342 S HN 0.700 nan 8.310 nan 0.000 0.447 343 D N -0.552 119.908 120.400 0.101 0.000 2.539 343 D HA 0.156 4.796 4.640 0.001 0.000 0.232 343 D C 0.008 176.367 176.300 0.099 0.000 1.256 343 D CA -0.243 53.814 54.000 0.096 0.000 0.810 343 D CB -1.642 39.222 40.800 0.108 0.000 1.090 343 D HN 0.554 nan 8.370 nan 0.000 0.519 344 N N 0.249 119.018 118.700 0.115 0.000 2.741 344 N HA -0.175 4.566 4.740 0.001 0.000 0.250 344 N C -0.715 174.853 175.510 0.097 0.000 1.115 344 N CA 0.623 53.735 53.050 0.103 0.000 0.724 344 N CB -0.964 37.562 38.487 0.064 0.000 1.090 344 N HN 0.464 nan 8.380 nan 0.000 0.558 345 S N -0.252 115.540 115.700 0.153 0.000 2.601 345 S HA 0.360 4.831 4.470 0.001 0.000 0.271 345 S C 0.006 174.583 174.600 -0.038 0.000 1.305 345 S CA -0.710 57.514 58.200 0.039 0.000 1.022 345 S CB 2.064 65.329 63.200 0.109 0.000 0.940 345 S HN 0.054 nan 8.310 nan 0.000 0.525 346 Q N 0.942 120.549 119.800 -0.321 0.000 2.241 346 Q HA 0.444 4.785 4.340 0.001 0.000 0.254 346 Q C -1.448 174.184 176.000 -0.613 0.000 0.917 346 Q CA 0.035 55.685 55.803 -0.256 0.000 0.919 346 Q CB 1.306 29.968 28.738 -0.128 0.000 1.237 346 Q HN 0.850 nan 8.270 nan 0.000 0.434 347 W N 1.710 123.079 121.300 0.116 0.000 3.032 347 W HA 0.543 5.203 4.660 0.001 0.000 0.335 347 W C -0.771 175.823 176.519 0.124 0.000 1.154 347 W CA -0.528 56.884 57.345 0.111 0.000 1.204 347 W CB 1.026 30.546 29.460 0.100 0.000 1.416 347 W HN 0.322 nan 8.180 nan 0.000 0.521 348 I N 1.993 122.722 120.570 0.264 0.000 2.433 348 I HA 0.294 4.465 4.170 0.001 0.000 0.292 348 I C -0.265 175.923 176.117 0.119 0.000 1.001 348 I CA -1.077 60.276 61.300 0.087 0.000 1.119 348 I CB 1.810 39.617 38.000 -0.321 0.000 1.289 348 I HN 0.401 nan 8.210 nan 0.000 0.438 349 Q N 5.553 125.451 119.800 0.164 0.000 2.337 349 Q HA 0.801 5.142 4.340 0.001 0.000 0.266 349 Q C -1.931 174.077 176.000 0.014 0.000 1.023 349 Q CA -0.650 55.217 55.803 0.107 0.000 0.829 349 Q CB 2.098 30.934 28.738 0.163 0.000 1.306 349 Q HN 0.494 nan 8.270 nan 0.000 0.449 350 V N 2.824 122.698 119.914 -0.068 0.000 2.604 350 V HA 0.725 4.845 4.120 0.001 0.000 0.305 350 V C -0.572 175.404 176.094 -0.196 0.000 1.043 350 V CA -0.433 61.718 62.300 -0.249 0.000 0.888 350 V CB 1.655 33.297 31.823 -0.303 0.000 0.995 350 V HN 0.968 nan 8.190 nan 0.000 0.429 351 S N 4.099 119.640 115.700 -0.266 0.000 2.638 351 S HA 0.762 5.232 4.470 0.001 0.000 0.274 351 S C -1.599 172.822 174.600 -0.298 0.000 1.157 351 S CA -0.821 57.259 58.200 -0.199 0.000 0.826 351 S CB 2.204 65.356 63.200 -0.081 0.000 1.139 351 S HN 0.585 nan 8.310 nan 0.000 0.474 352 L N 2.547 123.605 121.223 -0.276 0.000 2.342 352 L HA 0.643 4.984 4.340 0.001 0.000 0.276 352 L C -1.301 175.551 176.870 -0.030 0.000 0.997 352 L CA -0.619 54.009 54.840 -0.353 0.000 0.838 352 L CB 1.079 42.677 42.059 -0.769 0.000 1.224 352 L HN 0.763 nan 8.230 nan 0.000 0.416 353 V N 6.921 126.842 119.914 0.013 0.000 2.427 353 V HA 0.589 4.710 4.120 0.001 0.000 0.286 353 V C -0.148 176.053 176.094 0.178 0.000 1.034 353 V CA -0.369 61.975 62.300 0.073 0.000 0.893 353 V CB 1.346 33.199 31.823 0.050 0.000 0.982 353 V HN 0.682 nan 8.190 nan 0.000 0.452 354 F N 1.780 121.679 119.950 -0.085 0.000 2.741 354 F HA 0.700 5.228 4.527 0.002 0.000 0.313 354 F C -0.908 174.855 175.800 -0.062 0.000 1.153 354 F CA -1.267 56.698 58.000 -0.057 0.000 0.931 354 F CB 1.713 40.678 39.000 -0.060 0.000 1.335 354 F HN 0.319 nan 8.300 nan 0.000 0.460 355 Q N 1.620 121.419 119.800 -0.002 0.000 2.256 355 Q HA 0.463 4.804 4.340 0.001 0.000 0.257 355 Q C -0.234 175.811 176.000 0.076 0.000 0.936 355 Q CA -0.967 54.785 55.803 -0.086 0.000 0.903 355 Q CB 2.063 30.807 28.738 0.009 0.000 1.263 355 Q HN 0.816 nan 8.270 nan 0.000 0.440 356 T N -0.920 113.620 114.554 -0.024 0.000 2.802 356 T HA 0.032 4.382 4.350 0.001 0.000 0.305 356 T C 0.999 175.716 174.700 0.028 0.000 1.053 356 T CA -0.667 61.492 62.100 0.098 0.000 1.058 356 T CB 0.507 69.385 68.868 0.017 0.000 0.988 356 T HN 0.507 nan 8.240 nan 0.000 0.539 357 L N 0.619 121.831 121.223 -0.018 0.000 2.079 357 L HA -0.033 4.308 4.340 0.001 0.000 0.210 357 L C 2.683 179.479 176.870 -0.123 0.000 1.081 357 L CA 1.840 56.608 54.840 -0.120 0.000 0.752 357 L CB -1.349 40.545 42.059 -0.276 0.000 0.896 357 L HN 0.878 nan 8.230 nan 0.000 0.433 358 Q N -0.564 119.178 119.800 -0.098 0.000 2.119 358 Q HA -0.187 4.154 4.340 0.001 0.000 0.201 358 Q C 2.219 178.187 176.000 -0.053 0.000 0.972 358 Q CA 1.640 57.397 55.803 -0.078 0.000 0.847 358 Q CB -0.191 28.511 28.738 -0.060 0.000 0.903 358 Q HN 0.636 nan 8.270 nan 0.000 0.433 359 Q N -1.008 118.762 119.800 -0.050 0.000 2.291 359 Q HA -0.107 4.233 4.340 0.001 0.000 0.206 359 Q C 1.863 177.860 176.000 -0.005 0.000 0.976 359 Q CA 1.269 57.045 55.803 -0.045 0.000 0.875 359 Q CB -0.022 28.673 28.738 -0.072 0.000 0.927 359 Q HN 0.478 nan 8.270 nan 0.000 0.450 360 M N -0.764 118.835 119.600 -0.002 0.000 2.248 360 M HA -0.046 4.435 4.480 0.001 0.000 0.265 360 M C 2.146 178.456 176.300 0.016 0.000 1.079 360 M CA 0.885 56.200 55.300 0.026 0.000 1.150 360 M CB -0.047 32.561 32.600 0.013 0.000 1.366 360 M HN -0.024 nan 8.290 nan 0.000 0.433 361 R N 1.325 121.812 120.500 -0.021 0.000 2.073 361 R HA -0.140 4.201 4.340 0.001 0.000 0.234 361 R C 1.162 177.460 176.300 -0.002 0.000 1.134 361 R CA 1.873 57.960 56.100 -0.022 0.000 0.952 361 R CB -0.528 29.742 30.300 -0.051 0.000 0.850 361 R HN 0.270 nan 8.270 nan 0.000 0.433 362 D N 0.381 120.777 120.400 -0.006 0.000 2.349 362 D HA -0.051 4.590 4.640 0.001 0.000 0.224 362 D C -0.011 176.300 176.300 0.018 0.000 1.029 362 D CA 0.372 54.371 54.000 -0.002 0.000 0.879 362 D CB -0.012 40.776 40.800 -0.020 0.000 0.906 362 D HN 0.289 nan 8.370 nan 0.000 0.528 363 K N 1.447 121.877 120.400 0.050 0.000 3.156 363 K HA -0.199 4.122 4.320 0.001 0.000 0.266 363 K C -0.374 176.276 176.600 0.083 0.000 0.966 363 K CA 0.585 56.955 56.287 0.139 0.000 0.719 363 K CB -1.646 30.944 32.500 0.150 0.000 1.333 363 K HN 0.232 nan 8.250 nan 0.000 0.468 364 T N 1.333 115.861 114.554 -0.043 0.000 2.779 364 T HA 0.333 4.684 4.350 0.001 0.000 0.296 364 T C -1.977 172.435 174.700 -0.480 0.000 0.938 364 T CA -1.493 60.492 62.100 -0.190 0.000 1.119 364 T CB 0.996 69.782 68.868 -0.136 0.000 0.891 364 T HN 0.196 nan 8.240 nan 0.000 0.526 365 P HA 0.177 nan 4.420 nan 0.000 0.266 365 P C -0.502 176.500 177.300 -0.497 0.000 1.195 365 P CA -0.220 62.199 63.100 -1.134 0.000 0.768 365 P CB 0.641 31.926 31.700 -0.692 0.000 0.838 366 L N 2.006 123.040 121.223 -0.314 0.000 2.334 366 L HA 0.656 4.996 4.340 0.001 0.000 0.272 366 L C 0.852 177.806 176.870 0.141 0.000 1.020 366 L CA -0.333 54.471 54.840 -0.059 0.000 0.812 366 L CB 1.674 43.726 42.059 -0.012 0.000 1.264 366 L HN 0.605 nan 8.230 nan 0.000 0.439 367 S N 0.014 115.819 115.700 0.176 0.000 2.643 367 S HA 0.356 4.827 4.470 0.001 0.000 0.266 367 S C 0.354 175.112 174.600 0.264 0.000 1.130 367 S CA -0.980 57.359 58.200 0.231 0.000 0.817 367 S CB 0.705 63.980 63.200 0.124 0.000 1.107 367 S HN 0.484 nan 8.310 nan 0.000 0.471 368 L N 0.761 122.087 121.223 0.172 0.000 2.079 368 L HA -0.137 4.203 4.340 0.001 0.000 0.210 368 L C 2.173 179.100 176.870 0.096 0.000 1.081 368 L CA 1.708 56.643 54.840 0.158 0.000 0.752 368 L CB -1.022 41.062 42.059 0.043 0.000 0.896 368 L HN 0.651 nan 8.230 nan 0.000 0.433 369 N N -0.824 117.909 118.700 0.054 0.000 2.171 369 N HA -0.084 4.657 4.740 0.001 0.000 0.184 369 N C 0.462 175.972 175.510 -0.001 0.000 1.021 369 N CA 1.037 54.099 53.050 0.019 0.000 0.854 369 N CB 0.137 38.629 38.487 0.008 0.000 0.994 369 N HN 0.124 nan 8.380 nan 0.000 0.426 370 T N 2.551 117.103 114.554 -0.004 0.000 3.390 370 T HA 0.266 4.617 4.350 0.001 0.000 0.351 370 T C -2.761 171.885 174.700 -0.090 0.000 1.759 370 T CA -1.266 60.802 62.100 -0.054 0.000 1.561 370 T CB 1.645 70.470 68.868 -0.072 0.000 1.011 370 T HN 0.083 nan 8.240 nan 0.000 0.689 371 P HA 0.351 nan 4.420 nan 0.000 0.276 371 P C -2.646 174.389 177.300 -0.442 0.000 1.244 371 P CA -1.542 61.354 63.100 -0.340 0.000 0.801 371 P CB 0.599 32.181 31.700 -0.195 0.000 1.006 372 P HA 0.128 nan 4.420 nan 0.000 0.279 372 P C 0.390 177.329 177.300 -0.601 0.000 1.282 372 P CA -0.012 62.760 63.100 -0.547 0.000 0.788 372 P CB 0.241 31.626 31.700 -0.525 0.000 1.139 373 G N -0.340 107.938 108.800 -0.871 0.000 2.594 373 G HA2 0.309 4.270 3.960 0.001 0.000 0.243 373 G HA3 0.309 4.270 3.960 0.001 0.000 0.243 373 G C -0.738 173.682 174.900 -0.800 0.000 1.229 373 G CA -0.097 44.380 45.100 -1.037 0.000 0.843 373 G HN 0.660 nan 8.290 nan 0.000 0.578 374 E N -0.443 119.595 120.200 -0.270 0.000 2.347 374 E HA 0.412 4.763 4.350 0.001 0.000 0.285 374 E C -1.705 174.954 176.600 0.098 0.000 0.925 374 E CA -0.611 55.774 56.400 -0.026 0.000 0.779 374 E CB 2.239 31.904 29.700 -0.058 0.000 1.233 374 E HN 0.293 nan 8.360 nan 0.000 0.414 375 V N 4.820 124.804 119.914 0.116 0.000 2.407 375 V HA 0.345 4.466 4.120 0.001 0.000 0.291 375 V C -0.326 175.766 176.094 -0.003 0.000 1.018 375 V CA -1.034 61.306 62.300 0.067 0.000 0.842 375 V CB 1.612 33.477 31.823 0.070 0.000 0.996 375 V HN 0.537 nan 8.190 nan 0.000 0.426 376 K N 4.494 124.896 120.400 0.004 0.000 2.379 376 K HA 0.389 4.710 4.320 0.001 0.000 0.284 376 K C -0.605 175.994 176.600 -0.001 0.000 1.044 376 K CA -0.424 55.855 56.287 -0.014 0.000 0.974 376 K CB 1.060 33.551 32.500 -0.015 0.000 0.962 376 K HN 0.275 nan 8.250 nan 0.000 0.474 377 L N 1.438 122.649 121.223 -0.019 0.000 2.375 377 L HA 0.379 4.720 4.340 0.001 0.000 0.268 377 L C 0.706 177.603 176.870 0.045 0.000 1.058 377 L CA -0.155 54.701 54.840 0.027 0.000 0.803 377 L CB 1.375 43.440 42.059 0.009 0.000 1.212 377 L HN 0.552 nan 8.230 nan 0.000 0.451 378 T N 2.909 117.513 114.554 0.082 0.000 2.815 378 T HA 0.502 4.853 4.350 0.001 0.000 0.289 378 T C -0.379 174.390 174.700 0.115 0.000 1.000 378 T CA -0.552 61.599 62.100 0.084 0.000 0.958 378 T CB 0.156 69.066 68.868 0.069 0.000 0.944 378 T HN 0.357 nan 8.240 nan 0.000 0.442 379 L N 5.198 126.502 121.223 0.135 0.000 2.565 379 L HA 0.260 4.601 4.340 0.001 0.000 0.275 379 L C 1.925 178.872 176.870 0.128 0.000 1.137 379 L CA -0.507 54.431 54.840 0.164 0.000 0.915 379 L CB 0.425 42.615 42.059 0.219 0.000 1.232 379 L HN 0.923 nan 8.230 nan 0.000 0.473 380 A N 3.413 126.300 122.820 0.112 0.000 2.032 380 A HA -0.131 4.189 4.320 0.001 0.000 0.221 380 A C 1.959 179.589 177.584 0.077 0.000 1.165 380 A CA 1.759 53.847 52.037 0.086 0.000 0.645 380 A CB -0.435 18.610 19.000 0.075 0.000 0.807 380 A HN 0.869 nan 8.150 nan 0.000 0.453 381 G N -2.167 106.684 108.800 0.085 0.000 3.088 381 G HA2 0.248 4.209 3.960 0.001 0.000 0.217 381 G HA3 0.248 4.209 3.960 0.001 0.000 0.217 381 G C 0.357 175.304 174.900 0.079 0.000 1.159 381 G CA 0.455 45.597 45.100 0.070 0.000 0.760 381 G HN 0.473 nan 8.290 nan 0.000 0.550 382 c N 0.479 119.140 118.600 0.102 0.000 2.452 382 c HA 0.595 5.166 4.570 0.001 0.000 0.379 382 c C 1.483 175.632 174.090 0.097 0.000 1.275 382 c CA -0.313 56.084 56.329 0.114 0.000 2.056 382 c CB 1.622 44.224 42.510 0.154 0.000 2.506 382 c HN 0.554 nan 8.230 nan 0.000 0.560 383 E N 1.832 122.088 120.200 0.093 0.000 2.228 383 E HA 0.107 4.458 4.350 0.001 0.000 0.197 383 E C 0.516 177.178 176.600 0.103 0.000 0.909 383 E CA 0.494 56.943 56.400 0.082 0.000 0.911 383 E CB -0.118 29.620 29.700 0.064 0.000 0.887 383 E HN 0.819 nan 8.360 nan 0.000 0.481 384 E N 1.425 121.701 120.200 0.125 0.000 2.070 384 E HA 0.151 4.502 4.350 0.001 0.000 0.282 384 E C -0.666 176.105 176.600 0.285 0.000 1.104 384 E CA -0.121 56.385 56.400 0.177 0.000 0.876 384 E CB 0.326 30.113 29.700 0.146 0.000 1.055 384 E HN 0.052 nan 8.360 nan 0.000 0.401 385 R N 2.886 123.538 120.500 0.254 0.000 2.892 385 R HA 0.352 4.693 4.340 0.001 0.000 0.265 385 R C -0.269 176.048 176.300 0.030 0.000 1.025 385 R CA -1.014 55.218 56.100 0.220 0.000 0.982 385 R CB 1.031 31.383 30.300 0.087 0.000 1.185 385 R HN 0.568 nan 8.270 nan 0.000 0.484 386 N N -0.069 118.431 118.700 -0.333 0.000 2.671 386 N HA 0.281 5.022 4.740 0.001 0.000 0.303 386 N C 0.558 175.840 175.510 -0.380 0.000 1.277 386 N CA -0.406 52.222 53.050 -0.704 0.000 0.933 386 N CB 0.233 37.782 38.487 -1.563 0.000 1.190 386 N HN 0.527 nan 8.380 nan 0.000 0.600 387 A N -0.398 122.208 122.820 -0.357 0.000 1.927 387 A HA -0.245 4.076 4.320 0.001 0.000 0.220 387 A C 1.532 178.989 177.584 -0.212 0.000 1.185 387 A CA 1.796 53.695 52.037 -0.230 0.000 0.639 387 A CB -0.932 17.944 19.000 -0.207 0.000 0.820 387 A HN 0.743 nan 8.150 nan 0.000 0.451 388 Q N -0.882 118.755 119.800 -0.272 0.000 2.329 388 Q HA 0.260 4.600 4.340 0.001 0.000 0.208 388 Q C 1.038 176.928 176.000 -0.182 0.000 0.934 388 Q CA 0.795 56.457 55.803 -0.235 0.000 0.951 388 Q CB -1.007 27.545 28.738 -0.309 0.000 1.017 388 Q HN 1.262 nan 8.270 nan 0.000 0.490 389 G N 0.942 109.652 108.800 -0.150 0.000 2.162 389 G HA2 -0.315 3.645 3.960 0.001 0.000 0.260 389 G HA3 -0.315 3.645 3.960 0.001 0.000 0.260 389 G C 0.169 175.049 174.900 -0.034 0.000 0.976 389 G CA 0.527 45.581 45.100 -0.075 0.000 0.655 389 G HN 0.348 nan 8.290 nan 0.000 0.533 390 M N -0.477 119.085 119.600 -0.064 0.000 2.202 390 M HA 0.427 4.908 4.480 0.001 0.000 0.316 390 M C 1.021 177.459 176.300 0.230 0.000 1.138 390 M CA -0.292 55.044 55.300 0.060 0.000 1.151 390 M CB 1.074 33.707 32.600 0.054 0.000 1.422 390 M HN 0.284 nan 8.290 nan 0.000 0.471 391 c N 1.544 120.323 118.600 0.297 0.000 2.358 391 c HA 0.554 5.125 4.570 0.001 0.000 0.342 391 c C 0.678 175.014 174.090 0.410 0.000 1.234 391 c CA -0.631 55.903 56.329 0.342 0.000 1.969 391 c CB 0.688 43.359 42.510 0.268 0.000 2.346 391 c HN 0.942 nan 8.230 nan 0.000 0.525 392 S N 5.225 121.085 115.700 0.267 0.000 2.584 392 S HA 0.118 4.589 4.470 0.001 0.000 0.270 392 S C 1.096 175.648 174.600 -0.079 0.000 1.346 392 S CA -0.463 57.585 58.200 -0.253 0.000 1.018 392 S CB 0.503 63.432 63.200 -0.452 0.000 0.899 392 S HN 0.895 nan 8.310 nan 0.000 0.542 393 L N 1.428 122.537 121.223 -0.191 0.000 2.042 393 L HA -0.134 4.207 4.340 0.001 0.000 0.210 393 L C 2.791 179.686 176.870 0.042 0.000 1.076 393 L CA 1.970 56.806 54.840 -0.006 0.000 0.749 393 L CB -1.137 40.880 42.059 -0.069 0.000 0.893 393 L HN 1.000 nan 8.230 nan 0.000 0.432 394 A N -0.234 122.553 122.820 -0.055 0.000 1.902 394 A HA -0.164 4.157 4.320 0.001 0.000 0.217 394 A C 2.286 179.876 177.584 0.010 0.000 1.181 394 A CA 1.702 53.720 52.037 -0.032 0.000 0.623 394 A CB -1.317 17.644 19.000 -0.064 0.000 0.818 394 A HN 0.529 nan 8.150 nan 0.000 0.443 395 G N -1.321 107.500 108.800 0.035 0.000 2.421 395 G HA2 -0.243 3.717 3.960 0.001 0.000 0.216 395 G HA3 -0.243 3.717 3.960 0.001 0.000 0.216 395 G C 1.526 176.498 174.900 0.120 0.000 1.171 395 G CA 1.106 46.253 45.100 0.078 0.000 0.775 395 G HN 0.529 nan 8.290 nan 0.000 0.543 396 F N 1.817 121.785 119.950 0.030 0.000 2.126 396 F HA -0.113 4.415 4.527 0.002 0.000 0.299 396 F C 2.880 178.692 175.800 0.019 0.000 1.096 396 F CA 2.053 60.083 58.000 0.050 0.000 1.255 396 F CB -0.211 38.833 39.000 0.074 0.000 0.997 396 F HN 0.112 nan 8.300 nan 0.000 0.479 397 T N -0.026 114.490 114.554 -0.063 0.000 2.788 397 T HA -0.261 4.090 4.350 0.001 0.000 0.268 397 T C 1.847 176.443 174.700 -0.173 0.000 1.044 397 T CA 1.610 63.610 62.100 -0.168 0.000 1.139 397 T CB -0.337 68.501 68.868 -0.051 0.000 0.867 397 T HN 0.455 nan 8.240 nan 0.000 0.454 398 Q N 0.236 119.976 119.800 -0.101 0.000 2.046 398 Q HA -0.039 4.302 4.340 0.001 0.000 0.200 398 Q C 2.322 178.261 176.000 -0.102 0.000 0.975 398 Q CA 1.175 56.931 55.803 -0.078 0.000 0.836 398 Q CB -0.225 28.492 28.738 -0.034 0.000 0.896 398 Q HN 0.513 nan 8.270 nan 0.000 0.428 399 I N 0.029 120.531 120.570 -0.114 0.000 2.163 399 I HA -0.290 3.881 4.170 0.001 0.000 0.243 399 I C 2.254 178.263 176.117 -0.179 0.000 1.085 399 I CA 0.928 62.162 61.300 -0.110 0.000 1.347 399 I CB -0.216 37.749 38.000 -0.058 0.000 1.044 399 I HN 0.109 nan 8.210 nan 0.000 0.408 400 V N 1.101 120.813 119.914 -0.337 0.000 2.358 400 V HA -0.243 3.877 4.120 0.001 0.000 0.246 400 V C 2.107 178.084 176.094 -0.195 0.000 1.047 400 V CA 1.794 63.901 62.300 -0.322 0.000 1.035 400 V CB -0.780 30.742 31.823 -0.502 0.000 0.658 400 V HN 0.452 nan 8.190 nan 0.000 0.452 401 N N 0.187 118.784 118.700 -0.171 0.000 2.244 401 N HA -0.144 4.597 4.740 0.001 0.000 0.183 401 N C 1.760 177.218 175.510 -0.086 0.000 1.016 401 N CA 1.254 54.235 53.050 -0.116 0.000 0.866 401 N CB -0.147 38.280 38.487 -0.100 0.000 0.980 401 N HN 0.627 nan 8.380 nan 0.000 0.430 402 E N 0.259 120.411 120.200 -0.081 0.000 2.230 402 E HA 0.091 4.442 4.350 0.001 0.000 0.192 402 E C 1.682 178.251 176.600 -0.052 0.000 0.987 402 E CA 0.500 56.866 56.400 -0.057 0.000 0.841 402 E CB 0.120 29.794 29.700 -0.044 0.000 0.783 402 E HN 0.301 nan 8.360 nan 0.000 0.481 403 A N 2.404 125.186 122.820 -0.063 0.000 1.903 403 A HA -0.061 4.260 4.320 0.001 0.000 0.213 403 A C 1.440 178.993 177.584 -0.051 0.000 1.185 403 A CA 0.135 52.142 52.037 -0.049 0.000 0.628 403 A CB -0.388 18.584 19.000 -0.047 0.000 0.830 403 A HN 0.160 nan 8.150 nan 0.000 0.446 404 R N -0.069 120.391 120.500 -0.067 0.000 2.734 404 R HA 0.242 4.583 4.340 0.001 0.000 0.266 404 R C -0.902 175.367 176.300 -0.051 0.000 1.044 404 R CA -0.035 56.027 56.100 -0.062 0.000 1.128 404 R CB 0.192 30.446 30.300 -0.077 0.000 1.010 404 R HN 0.151 nan 8.270 nan 0.000 0.461 405 I N 3.239 123.782 120.570 -0.046 0.000 2.359 405 I HA 0.201 4.372 4.170 0.001 0.000 0.284 405 I C -1.806 174.287 176.117 -0.040 0.000 1.018 405 I CA -3.172 58.104 61.300 -0.040 0.000 1.173 405 I CB 0.984 38.963 38.000 -0.035 0.000 1.326 405 I HN 0.469 nan 8.210 nan 0.000 0.462 406 P HA -0.224 nan 4.420 nan 0.000 0.217 406 P C 1.560 178.839 177.300 -0.034 0.000 1.158 406 P CA 1.883 64.960 63.100 -0.039 0.000 0.887 406 P CB 0.425 32.103 31.700 -0.036 0.000 0.792 407 A N -1.741 121.060 122.820 -0.031 0.000 2.131 407 A HA -0.191 4.130 4.320 0.001 0.000 0.220 407 A C 1.944 179.511 177.584 -0.027 0.000 1.158 407 A CA 1.533 53.553 52.037 -0.027 0.000 0.665 407 A CB -1.537 17.448 19.000 -0.025 0.000 0.795 407 A HN 0.287 nan 8.150 nan 0.000 0.460 408 c N 0.379 118.961 118.600 -0.030 0.000 2.906 408 c HA 0.245 4.816 4.570 0.001 0.000 0.274 408 c C 1.494 175.565 174.090 -0.032 0.000 1.257 408 c CA -0.180 56.131 56.329 -0.029 0.000 1.695 408 c CB -1.666 40.826 42.510 -0.030 0.000 1.958 408 c HN 0.665 nan 8.230 nan 0.000 0.619 409 S N 1.063 116.741 115.700 -0.036 0.000 2.585 409 S HA 0.482 4.953 4.470 0.001 0.000 0.273 409 S C -0.257 174.323 174.600 -0.033 0.000 1.339 409 S CA -0.281 57.896 58.200 -0.039 0.000 1.028 409 S CB 0.798 63.973 63.200 -0.042 0.000 0.906 409 S HN 0.169 nan 8.310 nan 0.000 0.528 410 L N 0.000 121.203 121.223 -0.033 0.000 2.949 410 L HA 0.000 4.341 4.340 0.001 0.000 0.249 410 L CA 0.000 54.823 54.840 -0.028 0.000 0.813 410 L CB 0.000 42.044 42.059 -0.026 0.000 0.961 410 L HN 0.000 nan 8.230 nan 0.000 0.502