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 2b4x_1_I DATA FIRST_RESID 5 DATA SEQUENCE VDIcTAKPRD IPMNPMcIYR SPEKKXXXXX XXEQKIPEAT NRRVWELSKA DATA SEQUENCE NSRFATTFYQ HLADSKNDND NIFLSPLSIS TAFAMTKLGA cNDTLQQLME DATA SEQUENCE VFKFDTISEK TSDQIHFFFA KLNcRLYRKX XKSSKLVSAN RLFGDKSLTF DATA SEQUENCE NETYQDISEL VYGAKLQPLD FKENAEQSRA AINKWVSNKT EGRITDVIPS DATA SEQUENCE EAINELTVLV LVNTILFKGL WKSKFSPENT RKELFYKADG EScSASMMYQ DATA SEQUENCE EGKFRYRRVA EGTQVLELPF KGDDITMVLI LPKPEKSLAK VEKELTPEVL DATA SEQUENCE QEWLDELEEM MLVVHMPRFR IEDGFSLKEQ LQDMGLVDLF SPEKSKLPGI DATA SEQUENCE XXXXXDDLYV SDAFHKAFLE VNEEGSEAAA STAVVIAGRS LNPNRVTFKA DATA SEQUENCE NRPFLVFIRE VPLNTIIFMG RVANPcV 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 5 V HA 0.000 nan 4.120 nan 0.000 0.244 5 V C 0.000 176.096 176.094 0.004 0.000 1.182 5 V CA 0.000 62.302 62.300 0.003 0.000 1.235 5 V CB 0.000 31.820 31.823 -0.004 0.000 1.184 6 D N 3.192 123.600 120.400 0.013 0.000 2.392 6 D HA 0.445 5.098 4.640 0.022 0.000 0.246 6 D C 1.479 177.794 176.300 0.025 0.000 1.013 6 D CA -0.855 53.154 54.000 0.014 0.000 0.993 6 D CB 2.532 43.343 40.800 0.017 0.000 1.219 6 D HN 0.327 nan 8.370 nan 0.000 0.538 7 I N -0.022 120.561 120.570 0.022 0.000 2.182 7 I HA -0.358 3.825 4.170 0.022 0.000 0.248 7 I C 1.601 177.749 176.117 0.052 0.000 1.073 7 I CA 1.504 62.823 61.300 0.031 0.000 1.335 7 I CB 0.081 38.099 38.000 0.030 0.000 1.031 7 I HN 0.412 nan 8.210 nan 0.000 0.420 8 c N 0.292 118.922 118.600 0.051 0.000 2.576 8 c HA 0.058 4.641 4.570 0.022 0.000 0.267 8 c C 2.128 176.257 174.090 0.066 0.000 1.364 8 c CA 1.003 57.365 56.329 0.056 0.000 1.723 8 c CB -1.579 40.960 42.510 0.048 0.000 1.778 8 c HN 0.697 nan 8.230 nan 0.000 0.572 9 T N -2.962 111.633 114.554 0.068 0.000 3.004 9 T HA 0.386 4.749 4.350 0.022 0.000 0.266 9 T C 0.666 175.419 174.700 0.089 0.000 0.986 9 T CA 0.384 62.526 62.100 0.070 0.000 0.902 9 T CB -0.039 68.856 68.868 0.044 0.000 1.118 9 T HN 0.316 nan 8.240 nan 0.000 0.522 10 A N 2.099 124.985 122.820 0.111 0.000 2.546 10 A HA 0.434 4.767 4.320 0.022 0.000 0.243 10 A C 0.140 177.835 177.584 0.185 0.000 1.063 10 A CA 0.117 52.228 52.037 0.124 0.000 0.757 10 A CB 0.008 19.092 19.000 0.140 0.000 0.991 10 A HN 0.546 nan 8.150 nan 0.000 0.503 11 K N 3.072 123.464 120.400 -0.012 0.000 2.259 11 K HA 0.393 4.726 4.320 0.022 0.000 0.249 11 K C -2.168 174.159 176.600 -0.455 0.000 0.942 11 K CA -1.996 54.148 56.287 -0.238 0.000 0.816 11 K CB 1.576 33.992 32.500 -0.140 0.000 1.155 11 K HN 0.222 nan 8.250 nan 0.000 0.428 12 P HA -0.320 nan 4.420 nan 0.000 0.221 12 P C 0.864 177.989 177.300 -0.292 0.000 1.153 12 P CA 1.536 64.240 63.100 -0.659 0.000 0.858 12 P CB 0.072 31.405 31.700 -0.611 0.000 0.783 13 R N -0.641 119.725 120.500 -0.223 0.000 2.235 13 R HA -0.071 4.282 4.340 0.022 0.000 0.213 13 R C 0.550 176.791 176.300 -0.099 0.000 1.059 13 R CA 1.526 57.547 56.100 -0.131 0.000 0.997 13 R CB -0.825 29.413 30.300 -0.104 0.000 0.884 13 R HN 0.180 nan 8.270 nan 0.000 0.462 14 D N 1.079 121.417 120.400 -0.103 0.000 2.339 14 D HA 0.099 4.752 4.640 0.022 0.000 0.217 14 D C 0.612 176.877 176.300 -0.057 0.000 1.050 14 D CA 0.810 54.772 54.000 -0.064 0.000 0.856 14 D CB 0.943 41.719 40.800 -0.040 0.000 0.922 14 D HN 0.379 nan 8.370 nan 0.000 0.518 15 I N 1.130 121.658 120.570 -0.069 0.000 2.925 15 I HA 0.338 4.521 4.170 0.022 0.000 0.296 15 I C -2.647 173.438 176.117 -0.054 0.000 1.413 15 I CA -1.760 59.510 61.300 -0.051 0.000 0.932 15 I CB 0.224 38.227 38.000 0.005 0.000 1.873 15 I HN -0.290 nan 8.210 nan 0.000 0.619 16 P HA 0.786 nan 4.420 nan 0.000 0.276 16 P C -0.419 176.859 177.300 -0.038 0.000 1.244 16 P CA -0.456 62.617 63.100 -0.045 0.000 0.801 16 P CB 1.184 32.858 31.700 -0.042 0.000 1.006 17 M N -2.017 117.570 119.600 -0.021 0.000 2.325 17 M HA 0.499 4.992 4.480 0.022 0.000 0.285 17 M C -0.656 175.645 176.300 0.000 0.000 1.119 17 M CA -0.682 54.612 55.300 -0.011 0.000 0.959 17 M CB 0.856 33.456 32.600 0.000 0.000 1.737 17 M HN 0.232 nan 8.290 nan 0.000 0.486 18 N N 3.270 121.970 118.700 0.001 0.000 2.256 18 N HA 0.285 5.038 4.740 0.022 0.000 0.277 18 N C -2.797 172.719 175.510 0.010 0.000 1.362 18 N CA -0.344 52.708 53.050 0.003 0.000 0.861 18 N CB -1.095 37.392 38.487 -0.000 0.000 1.136 18 N HN 0.579 nan 8.380 nan 0.000 0.492 19 P HA 0.107 nan 4.420 nan 0.000 0.273 19 P C 1.247 178.556 177.300 0.016 0.000 1.258 19 P CA 0.042 63.149 63.100 0.012 0.000 0.802 19 P CB 0.308 32.011 31.700 0.005 0.000 1.040 20 M N -3.649 115.963 119.600 0.020 0.000 2.797 20 M HA -0.203 4.290 4.480 0.022 0.000 0.171 20 M C 0.225 176.541 176.300 0.027 0.000 0.647 20 M CA 1.097 56.410 55.300 0.022 0.000 0.598 20 M CB -2.810 29.798 32.600 0.013 0.000 2.180 20 M HN 0.531 nan 8.290 nan 0.000 0.429 21 c N 0.299 118.919 118.600 0.034 0.000 3.327 21 c HA 0.666 5.249 4.570 0.022 0.000 0.192 21 c C 0.175 174.304 174.090 0.064 0.000 1.603 21 c CA -0.704 55.649 56.329 0.040 0.000 1.222 21 c CB -0.473 42.050 42.510 0.022 0.000 1.981 21 c HN 0.691 nan 8.230 nan 0.000 0.563 22 I N 0.222 120.843 120.570 0.086 0.000 2.994 22 I HA 0.480 4.663 4.170 0.022 0.000 0.306 22 I C -1.214 175.017 176.117 0.189 0.000 1.195 22 I CA -0.848 60.522 61.300 0.117 0.000 1.001 22 I CB 2.417 40.462 38.000 0.075 0.000 1.244 22 I HN 0.139 nan 8.210 nan 0.000 0.437 23 Y N 2.756 123.084 120.300 0.046 0.000 2.524 23 Y HA 0.694 5.257 4.550 0.022 0.000 0.344 23 Y C -0.974 174.955 175.900 0.048 0.000 1.012 23 Y CA -1.268 56.861 58.100 0.050 0.000 1.068 23 Y CB 1.771 40.270 38.460 0.065 0.000 1.249 23 Y HN 0.436 nan 8.280 nan 0.000 0.468 24 R N 2.562 122.660 120.500 -0.670 0.000 2.468 24 R HA 0.462 4.815 4.340 0.022 0.000 0.302 24 R C -1.269 174.528 176.300 -0.837 0.000 1.041 24 R CA -0.400 55.398 56.100 -0.504 0.000 0.899 24 R CB 0.962 31.109 30.300 -0.255 0.000 1.167 24 R HN 0.756 nan 8.270 nan 0.000 0.483 25 S N 4.397 119.767 115.700 -0.550 0.000 2.584 25 S HA 0.537 5.020 4.470 0.022 0.000 0.273 25 S C -2.036 172.479 174.600 -0.142 0.000 1.311 25 S CA -1.192 56.818 58.200 -0.316 0.000 1.034 25 S CB 0.986 64.192 63.200 0.010 0.000 0.939 25 S HN 0.434 nan 8.310 nan 0.000 0.513 26 P HA 0.133 nan 4.420 nan 0.000 0.271 26 P C -0.627 176.671 177.300 -0.003 0.000 1.244 26 P CA -0.296 62.788 63.100 -0.026 0.000 0.793 26 P CB 0.411 32.114 31.700 0.004 0.000 0.984 27 E N -0.399 119.802 120.200 0.001 0.000 2.313 27 E HA 0.361 4.724 4.350 0.022 0.000 0.276 27 E C 0.417 177.026 176.600 0.016 0.000 1.031 27 E CA -0.493 55.913 56.400 0.011 0.000 0.857 27 E CB 0.328 30.034 29.700 0.009 0.000 1.040 27 E HN 0.374 nan 8.360 nan 0.000 0.408 28 K N 4.115 124.527 120.400 0.020 0.000 2.292 28 K HA 0.099 4.432 4.320 0.022 0.000 0.290 28 K C 0.154 176.765 176.600 0.018 0.000 1.083 28 K CA -0.477 55.821 56.287 0.019 0.000 0.918 28 K CB -0.447 32.065 32.500 0.020 0.000 1.089 28 K HN 0.527 nan 8.250 nan 0.000 0.473 38 Q N 0.409 120.279 119.800 0.117 0.000 3.087 38 Q HA 0.549 4.902 4.340 0.022 0.000 0.202 38 Q C -0.007 175.931 176.000 -0.104 0.000 0.763 38 Q CA 0.190 56.036 55.803 0.071 0.000 1.023 38 Q CB -0.162 28.562 28.738 -0.022 0.000 1.570 38 Q HN 0.492 nan 8.270 nan 0.000 0.494 39 K N 0.858 121.221 120.400 -0.061 0.000 2.504 39 K HA 0.409 4.742 4.320 0.022 0.000 0.195 39 K C 1.157 177.523 176.600 -0.389 0.000 1.036 39 K CA 0.735 56.953 56.287 -0.115 0.000 0.984 39 K CB -0.515 32.038 32.500 0.089 0.000 0.788 39 K HN 1.764 nan 8.250 nan 0.000 0.488 40 I N 2.629 122.680 120.570 -0.864 0.000 3.457 40 I HA -0.151 4.032 4.170 0.022 0.000 0.323 40 I C -1.191 174.640 176.117 -0.477 0.000 1.156 40 I CA -1.519 59.215 61.300 -0.943 0.000 1.834 40 I CB 0.079 37.635 38.000 -0.741 0.000 1.201 40 I HN 0.412 nan 8.210 nan 0.000 0.423 41 P HA 0.284 nan 4.420 nan 0.000 0.329 41 P C 0.508 177.705 177.300 -0.171 0.000 1.319 41 P CA 0.518 63.490 63.100 -0.213 0.000 0.742 41 P CB 0.056 31.666 31.700 -0.151 0.000 1.564 42 E N -0.168 119.967 120.200 -0.108 0.000 4.494 42 E HA 0.130 4.493 4.350 0.022 0.000 0.580 42 E C 1.194 177.746 176.600 -0.080 0.000 0.917 42 E CA 0.573 56.925 56.400 -0.080 0.000 3.932 42 E CB -1.413 28.256 29.700 -0.051 0.000 2.079 42 E HN 0.686 nan 8.360 nan 0.000 0.319 43 A N 0.809 123.598 122.820 -0.052 0.000 3.017 43 A HA 0.438 4.771 4.320 0.022 0.000 0.283 43 A C 0.050 177.610 177.584 -0.041 0.000 1.892 43 A CA 0.704 52.717 52.037 -0.041 0.000 1.469 43 A CB -1.206 17.781 19.000 -0.022 0.000 0.999 43 A HN 0.355 nan 8.150 nan 0.000 0.605 44 T N 2.725 117.241 114.554 -0.063 0.000 2.892 44 T HA 0.135 4.498 4.350 0.022 0.000 0.311 44 T C 0.151 174.825 174.700 -0.044 0.000 1.033 44 T CA -0.630 61.438 62.100 -0.053 0.000 0.991 44 T CB 0.291 69.106 68.868 -0.087 0.000 0.981 44 T HN 0.682 nan 8.240 nan 0.000 0.457 45 N N 3.065 121.755 118.700 -0.017 0.000 2.332 45 N HA -0.066 4.687 4.740 0.022 0.000 0.274 45 N C 1.465 176.975 175.510 0.000 0.000 1.351 45 N CA 0.245 53.287 53.050 -0.012 0.000 0.875 45 N CB 0.434 38.911 38.487 -0.018 0.000 1.140 45 N HN 0.578 nan 8.380 nan 0.000 0.489 46 R N 3.644 124.143 120.500 -0.002 0.000 2.117 46 R HA -0.148 4.205 4.340 0.022 0.000 0.243 46 R C 1.490 177.778 176.300 -0.021 0.000 1.143 46 R CA 1.391 57.516 56.100 0.041 0.000 0.968 46 R CB 0.143 30.454 30.300 0.019 0.000 0.863 46 R HN 0.544 nan 8.270 nan 0.000 0.444 47 R N -0.214 120.192 120.500 -0.158 0.000 2.092 47 R HA -0.059 4.294 4.340 0.022 0.000 0.231 47 R C 2.224 178.242 176.300 -0.471 0.000 1.119 47 R CA 1.107 56.904 56.100 -0.506 0.000 0.970 47 R CB -0.801 29.261 30.300 -0.396 0.000 0.864 47 R HN 0.196 nan 8.270 nan 0.000 0.440 48 V N -0.430 119.357 119.914 -0.211 0.000 2.515 48 V HA -0.188 3.945 4.120 0.022 0.000 0.250 48 V C 1.993 178.029 176.094 -0.096 0.000 1.058 48 V CA 1.242 63.451 62.300 -0.152 0.000 1.064 48 V CB -0.515 31.268 31.823 -0.067 0.000 0.675 48 V HN 0.315 nan 8.190 nan 0.000 0.461 49 W N 1.183 122.362 121.300 -0.200 0.000 2.378 49 W HA -0.089 4.583 4.660 0.021 0.000 0.313 49 W C 2.485 178.899 176.519 -0.175 0.000 1.197 49 W CA 1.606 58.859 57.345 -0.155 0.000 1.304 49 W CB -0.117 29.270 29.460 -0.122 0.000 1.148 49 W HN 0.127 nan 8.180 nan 0.000 0.494 50 E N 0.244 120.303 120.200 -0.235 0.000 2.058 50 E HA -0.241 4.122 4.350 0.022 0.000 0.194 50 E C 2.083 178.460 176.600 -0.372 0.000 0.997 50 E CA 1.634 57.809 56.400 -0.375 0.000 0.801 50 E CB -1.326 28.183 29.700 -0.317 0.000 0.746 50 E HN 0.341 nan 8.360 nan 0.000 0.450 51 L N 1.539 122.531 121.223 -0.384 0.000 1.989 51 L HA -0.190 4.163 4.340 0.022 0.000 0.211 51 L C 2.406 179.136 176.870 -0.232 0.000 1.071 51 L CA 2.598 57.273 54.840 -0.275 0.000 0.749 51 L CB -1.141 40.708 42.059 -0.350 0.000 0.890 51 L HN 0.155 nan 8.230 nan 0.000 0.431 52 S N -1.117 114.426 115.700 -0.262 0.000 2.419 52 S HA -0.251 4.232 4.470 0.022 0.000 0.235 52 S C 1.960 176.421 174.600 -0.231 0.000 1.019 52 S CA 1.420 59.495 58.200 -0.208 0.000 0.982 52 S CB -0.655 62.435 63.200 -0.183 0.000 0.789 52 S HN 0.614 nan 8.310 nan 0.000 0.490 53 K N 1.253 121.437 120.400 -0.359 0.000 2.103 53 K HA 0.171 4.504 4.320 0.022 0.000 0.204 53 K C 2.591 179.075 176.600 -0.194 0.000 1.052 53 K CA 1.033 57.107 56.287 -0.355 0.000 0.945 53 K CB -0.460 31.708 32.500 -0.554 0.000 0.722 53 K HN 0.499 nan 8.250 nan 0.000 0.443 54 A N 1.867 124.600 122.820 -0.145 0.000 1.898 54 A HA -0.172 4.161 4.320 0.022 0.000 0.216 54 A C 1.716 179.286 177.584 -0.025 0.000 1.181 54 A CA 1.587 53.588 52.037 -0.060 0.000 0.620 54 A CB -0.677 18.333 19.000 0.017 0.000 0.819 54 A HN 0.336 nan 8.150 nan 0.000 0.442 55 N N -0.184 118.515 118.700 -0.000 0.000 2.166 55 N HA -0.112 4.641 4.740 0.022 0.000 0.186 55 N C 1.878 177.442 175.510 0.089 0.000 1.019 55 N CA 1.311 54.408 53.050 0.080 0.000 0.856 55 N CB -0.091 38.447 38.487 0.084 0.000 0.993 55 N HN 0.407 nan 8.380 nan 0.000 0.426 56 S N 0.489 116.191 115.700 0.004 0.000 2.371 56 S HA 0.001 4.484 4.470 0.022 0.000 0.224 56 S C 1.756 176.351 174.600 -0.008 0.000 1.029 56 S CA 0.770 58.967 58.200 -0.005 0.000 0.978 56 S CB -0.012 63.151 63.200 -0.061 0.000 0.833 56 S HN 0.268 nan 8.310 nan 0.000 0.466 57 R N 0.005 120.490 120.500 -0.025 0.000 2.091 57 R HA -0.099 4.254 4.340 0.022 0.000 0.238 57 R C 2.052 178.353 176.300 0.000 0.000 1.136 57 R CA 1.694 57.778 56.100 -0.027 0.000 0.959 57 R CB -0.414 29.863 30.300 -0.037 0.000 0.856 57 R HN 0.442 nan 8.270 nan 0.000 0.437 58 F N 1.141 121.030 119.950 -0.101 0.000 2.163 58 F HA -0.026 4.514 4.527 0.021 0.000 0.297 58 F C 2.210 177.999 175.800 -0.017 0.000 1.094 58 F CA 1.057 58.988 58.000 -0.115 0.000 1.290 58 F CB -0.484 38.404 39.000 -0.188 0.000 1.017 58 F HN -0.029 nan 8.300 nan 0.000 0.483 59 A N -0.176 122.600 122.820 -0.073 0.000 1.917 59 A HA -0.232 4.101 4.320 0.022 0.000 0.219 59 A C 2.206 179.741 177.584 -0.080 0.000 1.182 59 A CA 2.593 54.576 52.037 -0.089 0.000 0.633 59 A CB -1.504 17.526 19.000 0.051 0.000 0.819 59 A HN 0.472 nan 8.150 nan 0.000 0.448 60 T N -0.561 113.964 114.554 -0.047 0.000 2.770 60 T HA -0.086 4.277 4.350 0.022 0.000 0.263 60 T C 2.071 176.758 174.700 -0.021 0.000 1.039 60 T CA 1.811 63.914 62.100 0.004 0.000 1.142 60 T CB -0.560 68.300 68.868 -0.012 0.000 0.868 60 T HN 0.581 nan 8.240 nan 0.000 0.435 61 T N 2.263 116.752 114.554 -0.108 0.000 2.595 61 T HA -0.103 4.260 4.350 0.022 0.000 0.264 61 T C 1.569 176.168 174.700 -0.169 0.000 1.058 61 T CA 1.346 63.375 62.100 -0.119 0.000 1.166 61 T CB -0.703 68.090 68.868 -0.125 0.000 0.863 61 T HN 0.291 nan 8.240 nan 0.000 0.415 62 F N 1.089 120.705 119.950 -0.558 0.000 2.063 62 F HA -0.241 4.298 4.527 0.021 0.000 0.298 62 F C 2.217 177.860 175.800 -0.262 0.000 1.109 62 F CA 1.326 58.983 58.000 -0.571 0.000 1.212 62 F CB -0.865 37.463 39.000 -1.121 0.000 0.973 62 F HN 0.217 nan 8.300 nan 0.000 0.480 63 Y N 1.170 121.262 120.300 -0.347 0.000 2.165 63 Y HA -0.294 4.269 4.550 0.021 0.000 0.286 63 Y C 2.497 178.258 175.900 -0.232 0.000 1.155 63 Y CA 2.378 60.308 58.100 -0.284 0.000 1.164 63 Y CB -0.709 37.668 38.460 -0.138 0.000 0.978 63 Y HN 0.285 nan 8.280 nan 0.000 0.513 64 Q N -1.550 118.144 119.800 -0.176 0.000 2.167 64 Q HA -0.226 4.127 4.340 0.022 0.000 0.202 64 Q C 2.063 177.902 176.000 -0.269 0.000 0.970 64 Q CA 1.266 56.953 55.803 -0.193 0.000 0.855 64 Q CB -0.295 28.405 28.738 -0.063 0.000 0.911 64 Q HN 0.588 nan 8.270 nan 0.000 0.438 65 H N 0.349 119.213 119.070 -0.344 0.000 2.403 65 H HA -0.050 4.519 4.556 0.021 0.000 0.298 65 H C 1.962 177.068 175.328 -0.371 0.000 1.059 65 H CA 1.019 56.882 56.048 -0.309 0.000 1.363 65 H CB 0.281 29.870 29.762 -0.288 0.000 1.410 65 H HN 0.195 nan 8.280 nan 0.000 0.528 66 L N 0.790 121.760 121.223 -0.422 0.000 2.291 66 L HA 0.060 4.413 4.340 0.022 0.000 0.214 66 L C 2.298 178.962 176.870 -0.343 0.000 1.120 66 L CA 1.534 56.139 54.840 -0.393 0.000 0.799 66 L CB -0.632 41.106 42.059 -0.536 0.000 0.925 66 L HN 0.162 nan 8.230 nan 0.000 0.446 67 A N -0.744 121.796 122.820 -0.466 0.000 1.874 67 A HA -0.123 4.210 4.320 0.022 0.000 0.214 67 A C 1.980 179.429 177.584 -0.226 0.000 1.189 67 A CA 1.475 53.279 52.037 -0.388 0.000 0.615 67 A CB -0.641 18.092 19.000 -0.446 0.000 0.830 67 A HN 0.497 nan 8.150 nan 0.000 0.443 68 D N 0.564 120.830 120.400 -0.224 0.000 2.117 68 D HA -0.137 4.516 4.640 0.022 0.000 0.197 68 D C 2.196 178.417 176.300 -0.132 0.000 0.987 68 D CA 1.882 55.777 54.000 -0.174 0.000 0.829 68 D CB -0.449 40.217 40.800 -0.223 0.000 0.961 68 D HN 0.559 nan 8.370 nan 0.000 0.460 69 S N -0.433 115.192 115.700 -0.125 0.000 2.595 69 S HA -0.037 4.446 4.470 0.022 0.000 0.235 69 S C 0.738 175.298 174.600 -0.066 0.000 0.974 69 S CA 0.407 58.564 58.200 -0.072 0.000 0.942 69 S CB 0.047 63.227 63.200 -0.033 0.000 0.766 69 S HN 0.079 nan 8.310 nan 0.000 0.536 70 K N 0.826 121.176 120.400 -0.083 0.000 2.400 70 K HA 0.333 4.666 4.320 0.022 0.000 0.246 70 K C -0.828 175.737 176.600 -0.058 0.000 0.995 70 K CA -0.787 55.459 56.287 -0.068 0.000 0.840 70 K CB 1.484 33.940 32.500 -0.073 0.000 1.293 70 K HN 0.229 nan 8.250 nan 0.000 0.445 71 N N 0.551 119.226 118.700 -0.043 0.000 2.525 71 N HA -0.036 4.717 4.740 0.022 0.000 0.271 71 N C -0.139 175.355 175.510 -0.026 0.000 1.194 71 N CA -0.296 52.735 53.050 -0.031 0.000 0.964 71 N CB 0.794 39.268 38.487 -0.023 0.000 1.126 71 N HN 0.413 nan 8.380 nan 0.000 0.452 72 D N 1.287 121.678 120.400 -0.015 0.000 2.182 72 D HA -0.151 4.502 4.640 0.022 0.000 0.201 72 D C 0.735 177.039 176.300 0.007 0.000 0.986 72 D CA 1.271 55.270 54.000 -0.002 0.000 0.847 72 D CB -0.022 40.783 40.800 0.009 0.000 0.942 72 D HN 0.526 nan 8.370 nan 0.000 0.467 73 N N 0.823 119.525 118.700 0.004 0.000 2.461 73 N HA -0.039 4.714 4.740 0.022 0.000 0.188 73 N C -0.261 175.238 175.510 -0.019 0.000 1.134 73 N CA 0.387 53.439 53.050 0.004 0.000 0.878 73 N CB 0.362 38.855 38.487 0.009 0.000 0.972 73 N HN 0.238 nan 8.380 nan 0.000 0.456 74 D N 1.241 121.627 120.400 -0.023 0.000 2.255 74 D HA 0.163 4.816 4.640 0.022 0.000 0.249 74 D C 0.308 176.588 176.300 -0.034 0.000 1.078 74 D CA -0.054 53.927 54.000 -0.031 0.000 0.896 74 D CB 0.977 41.759 40.800 -0.031 0.000 1.194 74 D HN -0.040 nan 8.370 nan 0.000 0.429 75 N N 0.875 119.551 118.700 -0.039 0.000 2.364 75 N HA 0.492 5.245 4.740 0.022 0.000 0.264 75 N C 0.001 175.532 175.510 0.035 0.000 1.263 75 N CA -0.078 52.946 53.050 -0.043 0.000 0.959 75 N CB 1.093 39.539 38.487 -0.068 0.000 1.204 75 N HN 0.371 nan 8.380 nan 0.000 0.550 76 I N -0.645 119.987 120.570 0.103 0.000 3.004 76 I HA 0.447 4.630 4.170 0.022 0.000 0.305 76 I C -1.630 174.732 176.117 0.408 0.000 1.312 76 I CA -0.684 60.760 61.300 0.240 0.000 0.992 76 I CB 2.503 40.652 38.000 0.248 0.000 1.282 76 I HN 0.306 nan 8.210 nan 0.000 0.449 77 F N 5.471 125.602 119.950 0.302 0.000 2.701 77 F HA 0.468 5.011 4.527 0.026 0.000 0.310 77 F C -1.768 174.305 175.800 0.455 0.000 0.975 77 F CA -0.654 57.523 58.000 0.295 0.000 1.118 77 F CB 0.648 39.764 39.000 0.193 0.000 1.399 77 F HN 0.342 nan 8.300 nan 0.000 0.662 78 L N 1.596 122.732 121.223 -0.145 0.000 2.363 78 L HA 0.942 5.295 4.340 0.022 0.000 0.239 78 L C -0.953 175.928 176.870 0.019 0.000 1.172 78 L CA -1.024 53.869 54.840 0.088 0.000 1.126 78 L CB 1.657 43.717 42.059 0.003 0.000 1.616 78 L HN 0.461 nan 8.230 nan 0.000 0.457 79 S N 0.584 116.337 115.700 0.088 0.000 2.413 79 S HA 0.405 4.888 4.470 0.022 0.000 0.170 79 S C -2.113 172.376 174.600 -0.184 0.000 1.294 79 S CA -0.878 57.261 58.200 -0.102 0.000 1.201 79 S CB 0.779 63.919 63.200 -0.099 0.000 1.328 79 S HN 0.576 nan 8.310 nan 0.000 0.418 80 P HA -0.162 nan 4.420 nan 0.000 0.216 80 P C 1.654 178.968 177.300 0.023 0.000 1.150 80 P CA 0.701 63.807 63.100 0.009 0.000 0.843 80 P CB 0.091 31.839 31.700 0.080 0.000 0.787 81 L N 0.119 121.323 121.223 -0.032 0.000 2.042 81 L HA -0.138 4.215 4.340 0.022 0.000 0.210 81 L C 2.673 179.555 176.870 0.020 0.000 1.076 81 L CA 2.036 56.888 54.840 0.021 0.000 0.749 81 L CB -1.698 40.336 42.059 -0.042 0.000 0.893 81 L HN -0.055 nan 8.230 nan 0.000 0.432 82 S N -0.340 115.317 115.700 -0.072 0.000 2.426 82 S HA -0.232 4.250 4.470 0.022 0.000 0.220 82 S C 2.022 176.571 174.600 -0.085 0.000 1.040 82 S CA 1.990 60.157 58.200 -0.056 0.000 1.094 82 S CB -0.552 62.589 63.200 -0.098 0.000 1.072 82 S HN 0.490 nan 8.310 nan 0.000 0.415 83 I N 1.248 121.697 120.570 -0.202 0.000 2.182 83 I HA -0.275 3.908 4.170 0.022 0.000 0.248 83 I C 2.558 178.569 176.117 -0.177 0.000 1.073 83 I CA 1.605 62.805 61.300 -0.166 0.000 1.335 83 I CB -0.637 37.170 38.000 -0.322 0.000 1.031 83 I HN 0.298 nan 8.210 nan 0.000 0.420 84 S N -0.038 115.579 115.700 -0.139 0.000 2.355 84 S HA -0.141 4.342 4.470 0.022 0.000 0.222 84 S C 2.010 176.523 174.600 -0.144 0.000 1.031 84 S CA 1.903 60.022 58.200 -0.135 0.000 0.993 84 S CB -0.328 62.976 63.200 0.174 0.000 0.859 84 S HN 0.489 nan 8.310 nan 0.000 0.453 85 T N 2.255 116.727 114.554 -0.136 0.000 2.962 85 T HA 0.096 4.459 4.350 0.022 0.000 0.270 85 T C 1.940 176.302 174.700 -0.564 0.000 1.088 85 T CA 0.926 62.746 62.100 -0.468 0.000 1.127 85 T CB -0.326 68.475 68.868 -0.112 0.000 0.883 85 T HN 0.422 nan 8.240 nan 0.000 0.493 86 A N 1.612 124.263 122.820 -0.282 0.000 1.819 86 A HA 0.100 4.433 4.320 0.022 0.000 0.215 86 A C 1.801 179.189 177.584 -0.325 0.000 1.226 86 A CA 0.995 52.897 52.037 -0.224 0.000 0.608 86 A CB -1.239 17.776 19.000 0.025 0.000 0.877 86 A HN 0.478 nan 8.150 nan 0.000 0.452 87 F N 0.485 120.117 119.950 -0.530 0.000 2.481 87 F HA -0.148 4.391 4.527 0.021 0.000 0.297 87 F C 2.509 177.946 175.800 -0.604 0.000 1.095 87 F CA 0.410 58.046 58.000 -0.606 0.000 1.465 87 F CB -0.111 38.286 39.000 -1.005 0.000 1.098 87 F HN 0.301 nan 8.300 nan 0.000 0.585 88 A N 0.006 122.519 122.820 -0.512 0.000 1.874 88 A HA -0.142 4.191 4.320 0.022 0.000 0.214 88 A C 2.202 179.417 177.584 -0.615 0.000 1.189 88 A CA 0.970 52.651 52.037 -0.594 0.000 0.615 88 A CB -0.607 17.761 19.000 -1.054 0.000 0.830 88 A HN 0.354 nan 8.150 nan 0.000 0.443 89 M N -0.135 118.828 119.600 -1.062 0.000 2.073 89 M HA -0.197 4.296 4.480 0.022 0.000 0.258 89 M C 2.168 178.333 176.300 -0.225 0.000 1.070 89 M CA 2.468 57.268 55.300 -0.833 0.000 1.103 89 M CB -0.496 31.691 32.600 -0.688 0.000 1.321 89 M HN 0.476 nan 8.290 nan 0.000 0.405 90 T N 0.347 114.765 114.554 -0.226 0.000 2.652 90 T HA -0.242 4.121 4.350 0.022 0.000 0.267 90 T C 1.691 176.364 174.700 -0.045 0.000 1.039 90 T CA 1.841 63.872 62.100 -0.115 0.000 1.153 90 T CB -0.468 68.237 68.868 -0.271 0.000 0.863 90 T HN 0.429 nan 8.240 nan 0.000 0.428 91 K N 0.888 121.248 120.400 -0.065 0.000 2.228 91 K HA -0.114 4.219 4.320 0.022 0.000 0.205 91 K C 2.259 178.917 176.600 0.097 0.000 1.045 91 K CA 0.915 57.218 56.287 0.027 0.000 0.931 91 K CB -0.461 32.074 32.500 0.059 0.000 0.727 91 K HN 0.335 nan 8.250 nan 0.000 0.458 92 L N -0.129 121.147 121.223 0.088 0.000 2.081 92 L HA -0.166 4.187 4.340 0.022 0.000 0.212 92 L C 1.768 178.685 176.870 0.079 0.000 1.080 92 L CA 1.769 56.568 54.840 -0.069 0.000 0.754 92 L CB -0.307 41.702 42.059 -0.083 0.000 0.893 92 L HN 0.387 nan 8.230 nan 0.000 0.433 93 G N -1.601 107.262 108.800 0.105 0.000 3.502 93 G HA2 0.425 4.398 3.960 0.022 0.000 0.267 93 G HA3 0.425 4.398 3.960 0.022 0.000 0.267 93 G C 0.381 175.226 174.900 -0.091 0.000 1.090 93 G CA 0.332 45.383 45.100 -0.080 0.000 0.795 93 G HN 0.426 nan 8.290 nan 0.000 0.535 94 A N -0.768 122.031 122.820 -0.034 0.000 2.280 94 A HA 0.720 5.053 4.320 0.022 0.000 0.268 94 A C -0.114 177.462 177.584 -0.013 0.000 1.111 94 A CA -0.186 51.830 52.037 -0.035 0.000 0.814 94 A CB 0.747 19.738 19.000 -0.014 0.000 1.093 94 A HN 0.814 nan 8.150 nan 0.000 0.498 95 c N -0.710 117.881 118.600 -0.014 0.000 3.275 95 c HA 0.504 5.087 4.570 0.022 0.000 0.345 95 c C 0.095 174.183 174.090 -0.002 0.000 1.257 95 c CA -0.033 56.297 56.329 0.002 0.000 1.203 95 c CB -0.419 42.087 42.510 -0.006 0.000 1.492 95 c HN 1.334 nan 8.230 nan 0.000 0.484 96 N N 1.344 120.053 118.700 0.015 0.000 1.249 96 N HA -0.265 4.488 4.740 0.022 0.000 0.100 96 N C 0.236 175.743 175.510 -0.006 0.000 0.804 96 N CA 1.446 54.506 53.050 0.015 0.000 0.834 96 N CB -0.528 37.964 38.487 0.008 0.000 0.912 96 N HN 0.922 nan 8.380 nan 0.000 0.683 97 D N -1.188 119.208 120.400 -0.007 0.000 2.315 97 D HA -0.069 4.583 4.640 0.022 0.000 0.211 97 D C 1.423 177.699 176.300 -0.041 0.000 0.977 97 D CA 1.641 55.628 54.000 -0.022 0.000 0.894 97 D CB -0.136 40.658 40.800 -0.010 0.000 0.910 97 D HN 0.432 nan 8.370 nan 0.000 0.490 98 T N -0.471 114.059 114.554 -0.040 0.000 2.809 98 T HA -0.065 4.298 4.350 0.022 0.000 0.260 98 T C 1.659 176.324 174.700 -0.058 0.000 1.039 98 T CA 0.404 62.474 62.100 -0.049 0.000 1.141 98 T CB -0.155 68.684 68.868 -0.048 0.000 0.869 98 T HN 0.078 nan 8.240 nan 0.000 0.437 99 L N 1.805 122.995 121.223 -0.055 0.000 2.017 99 L HA -0.066 4.287 4.340 0.022 0.000 0.208 99 L C 2.681 179.446 176.870 -0.174 0.000 1.073 99 L CA 1.924 56.728 54.840 -0.060 0.000 0.745 99 L CB -1.383 40.666 42.059 -0.018 0.000 0.894 99 L HN 0.166 nan 8.230 nan 0.000 0.432 100 Q N -0.826 118.816 119.800 -0.263 0.000 2.308 100 Q HA -0.271 4.082 4.340 0.022 0.000 0.209 100 Q C 2.232 178.025 176.000 -0.345 0.000 0.985 100 Q CA 2.192 57.675 55.803 -0.534 0.000 0.881 100 Q CB -0.409 28.155 28.738 -0.290 0.000 0.917 100 Q HN 0.826 nan 8.270 nan 0.000 0.443 101 Q N -1.233 118.469 119.800 -0.163 0.000 2.204 101 Q HA 0.180 4.533 4.340 0.022 0.000 0.198 101 Q C 2.310 178.302 176.000 -0.013 0.000 0.946 101 Q CA 0.942 56.696 55.803 -0.082 0.000 0.859 101 Q CB 0.080 28.789 28.738 -0.048 0.000 0.946 101 Q HN 0.466 nan 8.270 nan 0.000 0.474 102 L N 0.173 121.418 121.223 0.037 0.000 2.046 102 L HA -0.211 4.142 4.340 0.022 0.000 0.208 102 L C 2.411 179.452 176.870 0.285 0.000 1.077 102 L CA 0.824 55.792 54.840 0.214 0.000 0.747 102 L CB -0.312 41.842 42.059 0.159 0.000 0.896 102 L HN 0.361 nan 8.230 nan 0.000 0.432 103 M N -0.520 119.163 119.600 0.139 0.000 2.091 103 M HA -0.229 4.264 4.480 0.022 0.000 0.259 103 M C 2.120 178.482 176.300 0.103 0.000 1.076 103 M CA 1.745 57.171 55.300 0.210 0.000 1.111 103 M CB -1.222 31.418 32.600 0.065 0.000 1.291 103 M HN 0.200 nan 8.290 nan 0.000 0.417 104 E N -0.164 120.030 120.200 -0.011 0.000 2.147 104 E HA -0.196 4.166 4.350 0.022 0.000 0.199 104 E C 2.054 178.622 176.600 -0.054 0.000 1.005 104 E CA 1.397 57.793 56.400 -0.006 0.000 0.810 104 E CB -0.113 29.568 29.700 -0.032 0.000 0.736 104 E HN 0.215 nan 8.360 nan 0.000 0.460 105 V N -0.384 119.465 119.914 -0.108 0.000 2.788 105 V HA -0.115 4.018 4.120 0.022 0.000 0.251 105 V C 0.891 176.647 176.094 -0.563 0.000 1.068 105 V CA 1.097 63.228 62.300 -0.283 0.000 1.090 105 V CB -0.076 31.538 31.823 -0.347 0.000 0.710 105 V HN 0.194 nan 8.190 nan 0.000 0.467 106 F N 0.200 119.900 119.950 -0.417 0.000 2.639 106 F HA 0.315 4.855 4.527 0.021 0.000 0.300 106 F C 1.256 176.564 175.800 -0.821 0.000 1.109 106 F CA -0.510 56.955 58.000 -0.892 0.000 1.335 106 F CB 0.109 38.294 39.000 -1.358 0.000 1.014 106 F HN -0.041 nan 8.300 nan 0.000 0.537 107 K N -1.500 118.740 120.400 -0.265 0.000 3.185 107 K HA -0.276 4.057 4.320 0.022 0.000 0.298 107 K C 0.862 177.439 176.600 -0.038 0.000 1.178 107 K CA 0.903 57.121 56.287 -0.116 0.000 0.882 107 K CB -2.630 29.827 32.500 -0.070 0.000 1.218 107 K HN 0.325 nan 8.250 nan 0.000 0.454 108 F N 1.948 121.972 119.950 0.124 0.000 2.269 108 F HA -0.125 4.415 4.527 0.021 0.000 0.301 108 F C 2.236 178.118 175.800 0.137 0.000 1.082 108 F CA 1.618 59.690 58.000 0.119 0.000 1.360 108 F CB -0.448 38.630 39.000 0.130 0.000 1.041 108 F HN 0.234 nan 8.300 nan 0.000 0.512 109 D N -0.159 120.430 120.400 0.314 0.000 2.363 109 D HA -0.102 4.551 4.640 0.022 0.000 0.226 109 D C 1.415 177.826 176.300 0.185 0.000 1.020 109 D CA 1.303 55.486 54.000 0.305 0.000 0.892 109 D CB -0.737 40.283 40.800 0.368 0.000 0.900 109 D HN 0.398 nan 8.370 nan 0.000 0.531 110 T N -2.018 112.616 114.554 0.134 0.000 3.069 110 T HA 0.232 4.595 4.350 0.022 0.000 0.252 110 T C 1.078 175.814 174.700 0.059 0.000 1.053 110 T CA -0.472 61.671 62.100 0.072 0.000 0.964 110 T CB -0.375 68.510 68.868 0.028 0.000 1.005 110 T HN 0.092 nan 8.240 nan 0.000 0.532 111 I N 3.181 123.812 120.570 0.101 0.000 2.241 111 I HA 0.206 4.389 4.170 0.022 0.000 0.294 111 I C 0.689 176.864 176.117 0.096 0.000 1.145 111 I CA -0.598 60.753 61.300 0.085 0.000 1.261 111 I CB 0.348 38.432 38.000 0.139 0.000 1.475 111 I HN 0.208 nan 8.210 nan 0.000 0.533 112 S N 5.684 121.420 115.700 0.061 0.000 3.566 112 S HA -0.177 4.306 4.470 0.022 0.000 0.426 112 S C 1.214 175.849 174.600 0.059 0.000 1.154 112 S CA 1.210 59.441 58.200 0.052 0.000 0.946 112 S CB -0.138 63.086 63.200 0.040 0.000 0.666 112 S HN 0.862 nan 8.310 nan 0.000 0.494 113 E N 0.322 120.542 120.200 0.033 0.000 5.171 113 E HA -0.265 4.098 4.350 0.022 0.000 0.184 113 E C 0.056 176.676 176.600 0.033 0.000 1.101 113 E CA 1.715 58.126 56.400 0.017 0.000 2.026 113 E CB -1.110 28.607 29.700 0.027 0.000 1.810 113 E HN 0.675 nan 8.360 nan 0.000 0.414 114 K N 2.140 122.595 120.400 0.092 0.000 2.578 114 K HA -0.031 4.302 4.320 0.022 0.000 0.279 114 K C 0.097 176.741 176.600 0.074 0.000 0.983 114 K CA 1.348 57.714 56.287 0.132 0.000 1.078 114 K CB 0.168 32.829 32.500 0.269 0.000 0.852 114 K HN 0.374 nan 8.250 nan 0.000 0.490 115 T N -1.046 113.533 114.554 0.041 0.000 2.902 115 T HA 0.229 4.592 4.350 0.022 0.000 0.283 115 T C 1.351 176.079 174.700 0.047 0.000 1.009 115 T CA -0.223 61.895 62.100 0.031 0.000 1.051 115 T CB 1.456 70.332 68.868 0.012 0.000 0.999 115 T HN 0.463 nan 8.240 nan 0.000 0.474 116 S N 1.972 117.745 115.700 0.121 0.000 2.421 116 S HA -0.335 4.148 4.470 0.022 0.000 0.239 116 S C 1.389 176.045 174.600 0.093 0.000 1.054 116 S CA 2.066 60.340 58.200 0.123 0.000 1.035 116 S CB -1.101 62.226 63.200 0.211 0.000 0.840 116 S HN 0.982 nan 8.310 nan 0.000 0.475 117 D N 0.901 121.356 120.400 0.091 0.000 2.183 117 D HA -0.126 4.527 4.640 0.022 0.000 0.203 117 D C 2.048 178.358 176.300 0.017 0.000 0.969 117 D CA 1.065 55.135 54.000 0.115 0.000 0.842 117 D CB -0.637 40.193 40.800 0.049 0.000 0.957 117 D HN 0.587 nan 8.370 nan 0.000 0.484 118 Q N -0.420 119.306 119.800 -0.123 0.000 2.119 118 Q HA -0.041 4.312 4.340 0.022 0.000 0.201 118 Q C 2.040 177.625 176.000 -0.692 0.000 0.972 118 Q CA 0.590 56.173 55.803 -0.365 0.000 0.847 118 Q CB -0.133 28.361 28.738 -0.407 0.000 0.903 118 Q HN 0.260 nan 8.270 nan 0.000 0.433 119 I N 0.869 121.144 120.570 -0.491 0.000 2.185 119 I HA -0.336 3.847 4.170 0.022 0.000 0.246 119 I C 2.105 178.023 176.117 -0.332 0.000 1.088 119 I CA 1.663 62.705 61.300 -0.430 0.000 1.347 119 I CB -0.405 37.303 38.000 -0.488 0.000 1.041 119 I HN 0.306 nan 8.210 nan 0.000 0.415 120 H N -1.838 117.203 119.070 -0.047 0.000 2.491 120 H HA -0.121 4.447 4.556 0.021 0.000 0.290 120 H C 1.975 177.308 175.328 0.009 0.000 1.050 120 H CA 1.307 57.376 56.048 0.034 0.000 1.309 120 H CB -0.337 29.418 29.762 -0.011 0.000 1.392 120 H HN 0.373 nan 8.280 nan 0.000 0.554 121 F N 0.943 120.804 119.950 -0.148 0.000 2.416 121 F HA -0.046 4.494 4.527 0.022 0.000 0.296 121 F C 1.598 177.394 175.800 -0.007 0.000 1.099 121 F CA 0.243 58.167 58.000 -0.127 0.000 1.427 121 F CB -0.366 38.508 39.000 -0.209 0.000 1.079 121 F HN -0.151 nan 8.300 nan 0.000 0.536 122 F N -0.315 119.485 119.950 -0.249 0.000 2.128 122 F HA -0.061 4.479 4.527 0.021 0.000 0.295 122 F C 2.261 177.893 175.800 -0.281 0.000 1.100 122 F CA 0.916 58.682 58.000 -0.389 0.000 1.260 122 F CB -1.805 37.015 39.000 -0.299 0.000 1.009 122 F HN -0.086 nan 8.300 nan 0.000 0.476 123 F N 0.551 120.517 119.950 0.026 0.000 2.202 123 F HA -0.186 4.354 4.527 0.021 0.000 0.301 123 F C 2.461 178.234 175.800 -0.044 0.000 1.082 123 F CA 1.043 59.060 58.000 0.028 0.000 1.313 123 F CB -1.097 37.970 39.000 0.112 0.000 1.024 123 F HN -0.036 nan 8.300 nan 0.000 0.495 124 A N -0.172 122.691 122.820 0.071 0.000 1.865 124 A HA -0.211 4.122 4.320 0.022 0.000 0.217 124 A C 2.403 179.976 177.584 -0.019 0.000 1.191 124 A CA 1.639 53.675 52.037 -0.001 0.000 0.623 124 A CB -0.531 18.489 19.000 0.033 0.000 0.826 124 A HN 0.124 nan 8.150 nan 0.000 0.444 125 K N -0.852 119.463 120.400 -0.141 0.000 2.057 125 K HA -0.111 4.222 4.320 0.022 0.000 0.207 125 K C 1.963 178.529 176.600 -0.056 0.000 1.049 125 K CA 1.400 57.603 56.287 -0.141 0.000 0.931 125 K CB -0.687 31.642 32.500 -0.285 0.000 0.714 125 K HN 0.454 nan 8.250 nan 0.000 0.440 126 L N 1.984 123.183 121.223 -0.041 0.000 2.027 126 L HA -0.101 4.252 4.340 0.022 0.000 0.206 126 L C 1.634 178.523 176.870 0.031 0.000 1.074 126 L CA 1.748 56.574 54.840 -0.023 0.000 0.745 126 L CB -0.765 41.262 42.059 -0.053 0.000 0.898 126 L HN 0.095 nan 8.230 nan 0.000 0.433 127 N N -0.609 118.172 118.700 0.135 0.000 2.166 127 N HA -0.229 4.524 4.740 0.022 0.000 0.186 127 N C 2.089 177.704 175.510 0.176 0.000 1.019 127 N CA 1.483 54.670 53.050 0.229 0.000 0.856 127 N CB -0.941 37.730 38.487 0.306 0.000 0.993 127 N HN 0.636 nan 8.380 nan 0.000 0.426 128 c N 1.744 120.404 118.600 0.100 0.000 2.418 128 c HA -0.056 4.527 4.570 0.022 0.000 0.280 128 c C 2.643 176.773 174.090 0.065 0.000 1.223 128 c CA 0.950 57.327 56.329 0.081 0.000 1.736 128 c CB -0.937 41.603 42.510 0.049 0.000 2.056 128 c HN 0.408 nan 8.230 nan 0.000 0.459 129 R N 0.000 120.516 120.500 0.027 0.000 2.120 129 R HA -0.017 4.336 4.340 0.022 0.000 0.234 129 R C 2.268 178.551 176.300 -0.027 0.000 1.123 129 R CA 1.282 57.385 56.100 0.006 0.000 0.975 129 R CB -0.367 29.929 30.300 -0.006 0.000 0.866 129 R HN 0.615 nan 8.270 nan 0.000 0.446 130 L N -0.252 120.916 121.223 -0.091 0.000 1.925 130 L HA -0.170 4.183 4.340 0.022 0.000 0.215 130 L C 0.507 177.239 176.870 -0.230 0.000 1.082 130 L CA 1.320 55.992 54.840 -0.280 0.000 0.764 130 L CB -0.222 41.467 42.059 -0.617 0.000 0.887 130 L HN 0.178 nan 8.230 nan 0.000 0.432 131 Y N -0.022 120.321 120.300 0.073 0.000 2.735 131 Y HA 0.308 4.870 4.550 0.021 0.000 0.354 131 Y C 0.892 176.827 175.900 0.059 0.000 1.288 131 Y CA -0.295 57.848 58.100 0.072 0.000 1.836 131 Y CB -0.677 37.828 38.460 0.075 0.000 1.920 131 Y HN 0.122 nan 8.280 nan 0.000 0.438 132 R N 1.351 121.942 120.500 0.150 0.000 2.881 132 R HA 0.304 4.657 4.340 0.022 0.000 0.331 132 R C 0.395 176.746 176.300 0.086 0.000 1.207 132 R CA -1.024 55.143 56.100 0.111 0.000 1.265 132 R CB -0.575 29.774 30.300 0.083 0.000 1.351 132 R HN 0.282 nan 8.270 nan 0.000 0.613 137 S N 0.592 116.310 115.700 0.031 0.000 2.634 137 S HA 0.567 5.050 4.470 0.022 0.000 0.296 137 S C -0.836 173.783 174.600 0.031 0.000 1.104 137 S CA 0.633 58.844 58.200 0.019 0.000 0.920 137 S CB 1.752 64.973 63.200 0.036 0.000 1.111 137 S HN 1.679 nan 8.310 nan 0.000 0.493 138 S N -0.706 114.984 115.700 -0.016 0.000 3.829 138 S HA -0.025 4.458 4.470 0.022 0.000 0.461 138 S C -0.459 174.171 174.600 0.051 0.000 0.849 138 S CA 0.858 59.064 58.200 0.011 0.000 1.323 138 S CB -2.617 60.672 63.200 0.148 0.000 0.872 138 S HN 1.370 nan 8.310 nan 0.000 0.613 139 K N 0.999 121.387 120.400 -0.020 0.000 2.143 139 K HA 0.861 5.194 4.320 0.022 0.000 0.272 139 K C -0.453 176.222 176.600 0.125 0.000 1.001 139 K CA -0.339 55.978 56.287 0.050 0.000 0.915 139 K CB 1.165 nan 32.500 nan 0.000 1.047 139 K HN 1.139 nan 8.250 nan 0.000 0.458 140 L N 1.967 123.318 121.223 0.213 0.000 2.381 140 L HA 0.633 4.986 4.340 0.022 0.000 0.274 140 L C -1.088 176.009 176.870 0.378 0.000 0.988 140 L CA -0.806 54.230 54.840 0.326 0.000 0.824 140 L CB 2.251 44.487 42.059 0.295 0.000 1.263 140 L HN 0.465 nan 8.230 nan 0.000 0.410 141 V N 2.896 123.001 119.914 0.318 0.000 2.656 141 V HA 0.537 4.670 4.120 0.022 0.000 0.307 141 V C -0.257 175.891 176.094 0.091 0.000 1.051 141 V CA -0.645 61.755 62.300 0.166 0.000 0.893 141 V CB 2.073 33.941 31.823 0.075 0.000 0.999 141 V HN 0.749 nan 8.190 nan 0.000 0.426 142 S N 3.255 118.830 115.700 -0.209 0.000 2.457 142 S HA 0.705 5.188 4.470 0.022 0.000 0.289 142 S C 0.121 174.670 174.600 -0.084 0.000 1.163 142 S CA -0.048 58.029 58.200 -0.204 0.000 1.078 142 S CB 0.938 63.774 63.200 -0.607 0.000 0.987 142 S HN 1.089 nan 8.310 nan 0.000 0.482 143 A N 5.573 128.401 122.820 0.013 0.000 3.064 143 A HA 0.524 4.857 4.320 0.022 0.000 0.339 143 A C -0.521 177.185 177.584 0.203 0.000 1.078 143 A CA -0.770 51.267 52.037 0.001 0.000 0.869 143 A CB -0.092 18.838 19.000 -0.116 0.000 1.067 143 A HN 0.718 nan 8.150 nan 0.000 0.480 144 N N 1.175 120.030 118.700 0.258 0.000 2.284 144 N HA 0.692 5.445 4.740 0.022 0.000 0.300 144 N C -0.558 175.064 175.510 0.188 0.000 1.047 144 N CA -0.306 52.870 53.050 0.210 0.000 0.821 144 N CB 2.040 40.560 38.487 0.055 0.000 1.337 144 N HN 0.696 nan 8.380 nan 0.000 0.482 145 R N 1.067 121.598 120.500 0.052 0.000 2.634 145 R HA 0.394 4.747 4.340 0.022 0.000 0.263 145 R C -1.893 174.156 176.300 -0.419 0.000 1.060 145 R CA -0.696 55.224 56.100 -0.300 0.000 0.898 145 R CB 1.242 31.112 30.300 -0.716 0.000 1.253 145 R HN 0.371 nan 8.270 nan 0.000 0.461 146 L N 2.959 123.864 121.223 -0.530 0.000 2.334 146 L HA 0.645 4.998 4.340 0.022 0.000 0.275 146 L C -1.566 174.933 176.870 -0.619 0.000 1.036 146 L CA -0.114 54.486 54.840 -0.401 0.000 0.807 146 L CB 1.329 43.256 42.059 -0.220 0.000 1.231 146 L HN 0.544 nan 8.230 nan 0.000 0.438 147 F N 2.640 122.599 119.950 0.015 0.000 2.536 147 F HA 0.757 5.296 4.527 0.021 0.000 0.322 147 F C 0.549 176.463 175.800 0.190 0.000 1.144 147 F CA -0.523 57.529 58.000 0.086 0.000 0.924 147 F CB 2.057 41.153 39.000 0.160 0.000 1.181 147 F HN 0.544 nan 8.300 nan 0.000 0.438 148 G N 1.640 110.663 108.800 0.373 0.000 2.672 148 G HA2 0.404 4.377 3.960 0.022 0.000 0.292 148 G HA3 0.404 4.377 3.960 0.022 0.000 0.292 148 G C -1.716 173.405 174.900 0.368 0.000 1.375 148 G CA -0.812 44.530 45.100 0.403 0.000 0.890 148 G HN 0.501 nan 8.290 nan 0.000 0.476 149 D N -0.579 120.084 120.400 0.439 0.000 2.443 149 D HA 0.364 5.017 4.640 0.022 0.000 0.234 149 D C 1.597 177.905 176.300 0.013 0.000 1.172 149 D CA 0.822 54.926 54.000 0.174 0.000 0.878 149 D CB 0.742 41.697 40.800 0.258 0.000 1.204 149 D HN 0.551 nan 8.370 nan 0.000 0.453 150 K N 1.544 121.904 120.400 -0.065 0.000 2.668 150 K HA 0.064 4.397 4.320 0.022 0.000 0.204 150 K C 0.913 177.499 176.600 -0.023 0.000 1.016 150 K CA 0.389 56.643 56.287 -0.054 0.000 1.131 150 K CB -0.537 31.916 32.500 -0.079 0.000 0.891 150 K HN 0.357 nan 8.250 nan 0.000 0.499 151 S N -0.822 114.877 115.700 -0.001 0.000 2.307 151 S HA 0.672 5.155 4.470 0.022 0.000 0.252 151 S C 1.722 176.319 174.600 -0.005 0.000 1.204 151 S CA -0.086 58.116 58.200 0.002 0.000 1.018 151 S CB -0.247 62.964 63.200 0.018 0.000 1.077 151 S HN 1.087 nan 8.310 nan 0.000 0.454 152 L N 0.808 122.029 121.223 -0.003 0.000 2.382 152 L HA 0.011 4.364 4.340 0.022 0.000 0.303 152 L C 0.984 177.843 176.870 -0.019 0.000 1.404 152 L CA 0.826 55.660 54.840 -0.010 0.000 0.815 152 L CB -2.219 39.835 42.059 -0.009 0.000 0.975 152 L HN 0.669 nan 8.230 nan 0.000 0.697 153 T N 0.665 115.205 114.554 -0.023 0.000 2.867 153 T HA 0.396 4.759 4.350 0.022 0.000 0.290 153 T C 0.087 174.761 174.700 -0.043 0.000 1.025 153 T CA 1.512 63.594 62.100 -0.030 0.000 1.146 153 T CB -0.838 68.011 68.868 -0.032 0.000 1.024 153 T HN 1.942 nan 8.240 nan 0.000 0.519 154 F N 4.356 124.285 119.950 -0.034 0.000 2.531 154 F HA 0.418 4.958 4.527 0.022 0.000 0.333 154 F C 0.523 176.317 175.800 -0.010 0.000 1.292 154 F CA -1.579 56.399 58.000 -0.036 0.000 1.184 154 F CB -0.264 38.726 39.000 -0.017 0.000 1.426 154 F HN 0.742 nan 8.300 nan 0.000 0.559 155 N N 2.290 120.974 118.700 -0.028 0.000 2.047 155 N HA -0.124 4.629 4.740 0.022 0.000 0.292 155 N C 1.425 176.969 175.510 0.057 0.000 1.356 155 N CA 0.920 53.971 53.050 0.002 0.000 0.836 155 N CB 0.515 38.992 38.487 -0.016 0.000 1.113 155 N HN 0.806 nan 8.380 nan 0.000 0.495 156 E N 2.440 122.658 120.200 0.030 0.000 2.097 156 E HA -0.210 4.153 4.350 0.022 0.000 0.196 156 E C 1.347 177.964 176.600 0.028 0.000 1.000 156 E CA 1.897 58.312 56.400 0.025 0.000 0.804 156 E CB -0.267 29.434 29.700 0.002 0.000 0.740 156 E HN 0.695 nan 8.360 nan 0.000 0.454 157 T N 1.136 115.706 114.554 0.027 0.000 2.685 157 T HA -0.262 4.101 4.350 0.022 0.000 0.268 157 T C 1.602 176.318 174.700 0.026 0.000 1.034 157 T CA 1.762 63.870 62.100 0.014 0.000 1.149 157 T CB -0.652 68.223 68.868 0.013 0.000 0.860 157 T HN 0.255 nan 8.240 nan 0.000 0.449 158 Y N 2.519 122.777 120.300 -0.069 0.000 2.009 158 Y HA -0.222 4.341 4.550 0.022 0.000 0.260 158 Y C 3.098 178.951 175.900 -0.079 0.000 1.118 158 Y CA 2.471 60.522 58.100 -0.083 0.000 1.087 158 Y CB -1.308 37.103 38.460 -0.082 0.000 0.970 158 Y HN 0.282 nan 8.280 nan 0.000 0.481 159 Q N 0.785 120.542 119.800 -0.071 0.000 2.082 159 Q HA -0.321 4.032 4.340 0.022 0.000 0.211 159 Q C 1.894 177.793 176.000 -0.168 0.000 1.002 159 Q CA 2.414 58.118 55.803 -0.165 0.000 0.868 159 Q CB -1.638 27.082 28.738 -0.030 0.000 0.931 159 Q HN 0.763 nan 8.270 nan 0.000 0.414 160 D N -0.132 120.208 120.400 -0.099 0.000 2.254 160 D HA -0.142 4.511 4.640 0.022 0.000 0.201 160 D C 1.766 177.993 176.300 -0.122 0.000 0.998 160 D CA 1.743 55.690 54.000 -0.089 0.000 0.885 160 D CB -0.061 40.703 40.800 -0.059 0.000 0.915 160 D HN 0.722 nan 8.370 nan 0.000 0.460 161 I N -0.440 120.026 120.570 -0.175 0.000 3.172 161 I HA -0.073 4.110 4.170 0.022 0.000 0.278 161 I C 2.023 177.976 176.117 -0.273 0.000 1.174 161 I CA 0.124 61.300 61.300 -0.206 0.000 1.445 161 I CB 0.051 37.926 38.000 -0.210 0.000 1.175 161 I HN -0.215 nan 8.210 nan 0.000 0.447 162 S N 0.508 115.984 115.700 -0.374 0.000 2.723 162 S HA -0.108 4.375 4.470 0.022 0.000 0.231 162 S C 1.470 175.947 174.600 -0.205 0.000 0.967 162 S CA 0.973 58.963 58.200 -0.349 0.000 0.958 162 S CB -0.366 62.434 63.200 -0.666 0.000 0.778 162 S HN 0.444 nan 8.310 nan 0.000 0.537 163 E N -0.619 119.472 120.200 -0.182 0.000 2.357 163 E HA 0.085 4.448 4.350 0.022 0.000 0.202 163 E C 1.739 178.275 176.600 -0.107 0.000 0.855 163 E CA 0.135 56.462 56.400 -0.120 0.000 1.048 163 E CB -0.281 29.357 29.700 -0.103 0.000 1.037 163 E HN 0.431 nan 8.360 nan 0.000 0.499 164 L N 1.090 122.239 121.223 -0.124 0.000 2.005 164 L HA -0.081 4.272 4.340 0.022 0.000 0.207 164 L C 2.039 178.826 176.870 -0.137 0.000 1.072 164 L CA 1.586 56.364 54.840 -0.103 0.000 0.744 164 L CB -0.449 41.554 42.059 -0.093 0.000 0.895 164 L HN 0.065 nan 8.230 nan 0.000 0.433 165 V N -1.166 118.595 119.914 -0.255 0.000 2.256 165 V HA -0.226 3.907 4.120 0.022 0.000 0.240 165 V C 2.081 177.899 176.094 -0.460 0.000 1.036 165 V CA 1.716 63.756 62.300 -0.434 0.000 1.008 165 V CB -0.739 30.614 31.823 -0.783 0.000 0.648 165 V HN 0.423 nan 8.190 nan 0.000 0.453 166 Y N 0.721 120.962 120.300 -0.097 0.000 2.482 166 Y HA 0.450 5.013 4.550 0.021 0.000 0.270 166 Y C 1.743 177.581 175.900 -0.103 0.000 1.152 166 Y CA -0.057 57.974 58.100 -0.115 0.000 1.292 166 Y CB -0.731 37.618 38.460 -0.185 0.000 1.070 166 Y HN 0.367 nan 8.280 nan 0.000 0.528 167 G N 1.105 109.896 108.800 -0.014 0.000 2.367 167 G HA2 0.079 4.052 3.960 0.022 0.000 0.295 167 G HA3 0.079 4.052 3.960 0.022 0.000 0.295 167 G C -0.158 174.740 174.900 -0.003 0.000 1.019 167 G CA 0.341 45.429 45.100 -0.021 0.000 1.224 167 G HN 0.911 nan 8.290 nan 0.000 0.510 168 A N 0.217 123.015 122.820 -0.037 0.000 2.472 168 A HA 0.602 4.935 4.320 0.022 0.000 0.312 168 A C -0.158 177.340 177.584 -0.144 0.000 1.023 168 A CA -0.261 51.735 52.037 -0.068 0.000 0.938 168 A CB 0.614 19.593 19.000 -0.035 0.000 1.176 168 A HN 0.531 nan 8.150 nan 0.000 0.366 169 K N 1.647 121.949 120.400 -0.164 0.000 2.102 169 K HA 0.538 4.871 4.320 0.022 0.000 0.244 169 K C 1.338 177.814 176.600 -0.206 0.000 1.021 169 K CA -0.522 55.665 56.287 -0.166 0.000 0.913 169 K CB 0.516 32.941 32.500 -0.124 0.000 1.062 169 K HN 0.623 nan 8.250 nan 0.000 0.485 170 L N 0.373 121.521 121.223 -0.124 0.000 1.981 170 L HA -0.290 4.063 4.340 0.022 0.000 0.237 170 L C 0.454 177.191 176.870 -0.222 0.000 1.095 170 L CA 1.166 55.944 54.840 -0.103 0.000 0.820 170 L CB -0.879 41.175 42.059 -0.009 0.000 0.914 170 L HN 0.736 nan 8.230 nan 0.000 0.442 171 Q N -0.340 119.367 119.800 -0.154 0.000 2.222 171 Q HA -0.073 4.280 4.340 0.022 0.000 0.308 171 Q C -2.586 173.401 176.000 -0.021 0.000 1.111 171 Q CA 0.148 55.873 55.803 -0.131 0.000 0.691 171 Q CB -0.989 27.592 28.738 -0.263 0.000 0.871 171 Q HN 0.411 nan 8.270 nan 0.000 0.323 172 P HA 0.475 nan 4.420 nan 0.000 0.288 172 P C -0.591 176.659 177.300 -0.084 0.000 1.267 172 P CA -0.455 62.633 63.100 -0.021 0.000 0.815 172 P CB 1.093 32.771 31.700 -0.035 0.000 0.989 173 L N 1.400 122.483 121.223 -0.233 0.000 2.256 173 L HA 0.429 4.782 4.340 0.022 0.000 0.261 173 L C 0.075 176.609 176.870 -0.562 0.000 1.022 173 L CA -0.747 53.836 54.840 -0.429 0.000 0.828 173 L CB 1.797 43.491 42.059 -0.609 0.000 1.374 173 L HN 0.274 nan 8.230 nan 0.000 0.436 174 D N 0.392 120.510 120.400 -0.471 0.000 2.500 174 D HA 0.248 4.901 4.640 0.022 0.000 0.219 174 D C -0.818 175.308 176.300 -0.289 0.000 1.137 174 D CA -0.271 53.543 54.000 -0.310 0.000 0.946 174 D CB 0.014 40.719 40.800 -0.158 0.000 1.022 174 D HN 0.065 nan 8.370 nan 0.000 0.518 175 F N 3.118 123.060 119.950 -0.014 0.000 2.619 175 F HA 0.451 4.990 4.527 0.021 0.000 0.350 175 F C 1.487 177.283 175.800 -0.007 0.000 1.259 175 F CA -0.020 57.972 58.000 -0.013 0.000 1.204 175 F CB -0.133 38.860 39.000 -0.012 0.000 1.556 175 F HN 0.481 nan 8.300 nan 0.000 0.650 176 K N 0.293 120.761 120.400 0.114 0.000 3.003 176 K HA 0.318 4.651 4.320 0.022 0.000 0.299 176 K C 1.502 178.122 176.600 0.034 0.000 3.002 176 K CA 0.200 56.529 56.287 0.070 0.000 1.606 176 K CB -0.939 31.592 32.500 0.052 0.000 3.214 176 K HN 0.086 nan 8.250 nan 0.000 0.284 177 E N 1.271 121.476 120.200 0.009 0.000 2.274 177 E HA 0.038 4.401 4.350 0.022 0.000 0.194 177 E C 1.080 177.672 176.600 -0.013 0.000 0.996 177 E CA 1.463 57.861 56.400 -0.003 0.000 0.840 177 E CB -0.377 nan 29.700 nan 0.000 0.772 177 E HN 0.637 nan 8.360 nan 0.000 0.491 178 N N -1.097 117.586 118.700 -0.028 0.000 2.497 178 N HA 0.435 5.188 4.740 0.022 0.000 0.284 178 N C 1.033 176.520 175.510 -0.039 0.000 1.459 178 N CA 0.316 53.340 53.050 -0.043 0.000 0.899 178 N CB 1.363 39.804 38.487 -0.076 0.000 1.316 178 N HN 0.317 nan 8.380 nan 0.000 0.500 179 A N 0.455 123.286 122.820 0.018 0.000 2.125 179 A HA -0.166 4.167 4.320 0.022 0.000 0.219 179 A C 2.101 179.720 177.584 0.059 0.000 1.156 179 A CA 1.429 53.520 52.037 0.091 0.000 0.671 179 A CB -0.056 19.020 19.000 0.128 0.000 0.794 179 A HN 0.288 nan 8.150 nan 0.000 0.459 180 E N 0.455 120.664 120.200 0.015 0.000 2.162 180 E HA -0.078 4.285 4.350 0.022 0.000 0.193 180 E C 1.947 178.533 176.600 -0.023 0.000 0.953 180 E CA 1.086 57.486 56.400 -0.000 0.000 0.849 180 E CB -0.473 29.225 29.700 -0.003 0.000 0.810 180 E HN 0.732 nan 8.360 nan 0.000 0.470 181 Q N -0.011 119.768 119.800 -0.035 0.000 2.431 181 Q HA 0.182 4.535 4.340 0.022 0.000 0.210 181 Q C 1.208 177.163 176.000 -0.075 0.000 0.958 181 Q CA 0.617 56.392 55.803 -0.047 0.000 0.957 181 Q CB 0.412 29.124 28.738 -0.043 0.000 1.007 181 Q HN 0.020 nan 8.270 nan 0.000 0.511 182 S N 1.494 117.142 115.700 -0.086 0.000 2.370 182 S HA -0.000 4.483 4.470 0.022 0.000 0.214 182 S C 1.199 175.721 174.600 -0.130 0.000 1.033 182 S CA -0.107 58.005 58.200 -0.146 0.000 0.941 182 S CB -0.026 63.085 63.200 -0.147 0.000 0.886 182 S HN 0.390 nan 8.310 nan 0.000 0.521 183 R N 1.494 121.957 120.500 -0.062 0.000 5.010 183 R HA 0.155 4.508 4.340 0.022 0.000 0.175 183 R C 0.224 176.485 176.300 -0.064 0.000 2.216 183 R CA 0.630 56.693 56.100 -0.062 0.000 1.778 183 R CB -0.691 29.589 30.300 -0.033 0.000 1.310 183 R HN 0.387 nan 8.270 nan 0.000 0.814 184 A N -0.422 122.354 122.820 -0.074 0.000 2.263 184 A HA 0.112 4.445 4.320 0.022 0.000 0.150 184 A C 1.287 178.846 177.584 -0.041 0.000 1.963 184 A CA 0.278 52.286 52.037 -0.047 0.000 1.452 184 A CB -0.626 18.350 19.000 -0.039 0.000 1.568 184 A HN 0.410 nan 8.150 nan 0.000 0.323 185 A N 0.380 123.152 122.820 -0.080 0.000 1.970 185 A HA 0.246 4.579 4.320 0.022 0.000 0.216 185 A C 1.878 179.431 177.584 -0.051 0.000 1.170 185 A CA 1.512 53.509 52.037 -0.066 0.000 0.645 185 A CB -0.466 18.461 19.000 -0.121 0.000 0.816 185 A HN 0.503 nan 8.150 nan 0.000 0.447 186 I N -0.280 120.188 120.570 -0.171 0.000 2.201 186 I HA -0.188 3.995 4.170 0.022 0.000 0.233 186 I C 1.968 178.144 176.117 0.097 0.000 1.067 186 I CA 1.141 62.342 61.300 -0.165 0.000 1.354 186 I CB -0.520 37.236 38.000 -0.407 0.000 1.108 186 I HN 0.210 nan 8.210 nan 0.000 0.411 187 N N 1.381 120.099 118.700 0.030 0.000 2.242 187 N HA -0.254 4.499 4.740 0.022 0.000 0.191 187 N C 1.778 177.324 175.510 0.059 0.000 1.005 187 N CA 2.066 55.144 53.050 0.046 0.000 0.877 187 N CB -0.649 37.835 38.487 -0.006 0.000 0.983 187 N HN 0.395 nan 8.380 nan 0.000 0.439 188 K N -0.277 120.166 120.400 0.071 0.000 2.103 188 K HA -0.057 4.276 4.320 0.022 0.000 0.204 188 K C 1.869 178.548 176.600 0.132 0.000 1.052 188 K CA 1.120 57.451 56.287 0.073 0.000 0.945 188 K CB -1.367 31.171 32.500 0.063 0.000 0.722 188 K HN 0.396 nan 8.250 nan 0.000 0.443 189 W N 1.067 122.387 121.300 0.032 0.000 2.352 189 W HA -0.166 4.509 4.660 0.024 0.000 0.322 189 W C 1.851 178.416 176.519 0.076 0.000 1.208 189 W CA 1.884 59.272 57.345 0.072 0.000 1.286 189 W CB -0.483 29.064 29.460 0.146 0.000 1.167 189 W HN 0.027 nan 8.180 nan 0.000 0.469 190 V N 0.404 120.311 119.914 -0.012 0.000 2.219 190 V HA -0.379 3.754 4.120 0.022 0.000 0.248 190 V C 2.405 178.370 176.094 -0.215 0.000 1.053 190 V CA 2.513 64.666 62.300 -0.245 0.000 1.009 190 V CB -1.812 30.045 31.823 0.057 0.000 0.636 190 V HN 0.329 nan 8.190 nan 0.000 0.445 191 S N -0.357 115.293 115.700 -0.084 0.000 2.520 191 S HA -0.230 4.253 4.470 0.022 0.000 0.249 191 S C 1.704 176.242 174.600 -0.103 0.000 0.983 191 S CA 1.773 59.925 58.200 -0.080 0.000 0.958 191 S CB -0.674 62.498 63.200 -0.047 0.000 0.750 191 S HN 0.746 nan 8.310 nan 0.000 0.527 192 N N 0.396 119.007 118.700 -0.148 0.000 2.349 192 N HA 0.045 4.798 4.740 0.022 0.000 0.180 192 N C 1.927 177.328 175.510 -0.182 0.000 1.024 192 N CA 1.439 54.408 53.050 -0.135 0.000 0.869 192 N CB -0.630 37.793 38.487 -0.107 0.000 1.022 192 N HN 0.265 nan 8.380 nan 0.000 0.433 193 K N -0.000 120.202 120.400 -0.329 0.000 2.057 193 K HA -0.056 4.277 4.320 0.022 0.000 0.207 193 K C 1.824 178.315 176.600 -0.181 0.000 1.049 193 K CA 1.870 57.968 56.287 -0.315 0.000 0.931 193 K CB -2.075 30.081 32.500 -0.574 0.000 0.714 193 K HN 0.580 nan 8.250 nan 0.000 0.440 194 T N -0.468 113.991 114.554 -0.158 0.000 3.565 194 T HA 0.169 4.532 4.350 0.022 0.000 0.248 194 T C 0.071 174.743 174.700 -0.047 0.000 1.033 194 T CA 0.507 62.571 62.100 -0.059 0.000 0.952 194 T CB -0.987 67.870 68.868 -0.019 0.000 1.072 194 T HN 0.606 nan 8.240 nan 0.000 0.609 195 E N 0.088 120.250 120.200 -0.064 0.000 2.450 195 E HA -0.299 4.064 4.350 0.022 0.000 0.244 195 E C 1.162 177.727 176.600 -0.057 0.000 1.226 195 E CA 0.476 56.845 56.400 -0.052 0.000 0.720 195 E CB -1.757 27.922 29.700 -0.035 0.000 1.254 195 E HN 1.018 nan 8.360 nan 0.000 0.399 196 G N -0.553 108.203 108.800 -0.073 0.000 2.176 196 G HA2 -0.380 3.593 3.960 0.022 0.000 0.253 196 G HA3 -0.380 3.593 3.960 0.022 0.000 0.253 196 G C 0.942 175.764 174.900 -0.131 0.000 0.979 196 G CA 0.435 45.481 45.100 -0.089 0.000 0.641 196 G HN 0.188 nan 8.290 nan 0.000 0.530 197 R N -0.011 120.415 120.500 -0.122 0.000 2.061 197 R HA 0.158 4.511 4.340 0.022 0.000 0.230 197 R C 1.243 177.381 176.300 -0.269 0.000 1.140 197 R CA 0.960 56.923 56.100 -0.229 0.000 0.940 197 R CB -0.781 29.511 30.300 -0.012 0.000 0.839 197 R HN 0.487 nan 8.270 nan 0.000 0.429 198 I N 1.888 122.399 120.570 -0.098 0.000 2.337 198 I HA 0.008 4.191 4.170 0.022 0.000 0.291 198 I C 1.497 177.575 176.117 -0.064 0.000 1.046 198 I CA 0.173 61.441 61.300 -0.052 0.000 1.324 198 I CB 1.530 39.552 38.000 0.036 0.000 1.409 198 I HN 0.286 nan 8.210 nan 0.000 0.494 199 T N 0.952 115.461 114.554 -0.075 0.000 3.480 199 T HA 0.059 4.422 4.350 0.022 0.000 0.229 199 T C 0.599 175.280 174.700 -0.033 0.000 0.944 199 T CA 0.089 62.152 62.100 -0.061 0.000 1.388 199 T CB -0.549 68.269 68.868 -0.083 0.000 1.180 199 T HN 0.480 nan 8.240 nan 0.000 0.414 200 D N 3.377 123.755 120.400 -0.037 0.000 2.745 200 D HA 0.219 4.872 4.640 0.022 0.000 0.229 200 D C 1.318 177.604 176.300 -0.024 0.000 1.088 200 D CA -0.242 53.736 54.000 -0.037 0.000 1.054 200 D CB -0.528 40.245 40.800 -0.045 0.000 1.132 200 D HN 0.284 nan 8.370 nan 0.000 0.464 201 V N 0.110 120.028 119.914 0.007 0.000 2.231 201 V HA -0.230 3.903 4.120 0.022 0.000 0.250 201 V C 1.391 177.482 176.094 -0.005 0.000 1.058 201 V CA 1.038 63.372 62.300 0.057 0.000 1.022 201 V CB -0.515 31.380 31.823 0.119 0.000 0.640 201 V HN 0.508 nan 8.190 nan 0.000 0.445 202 I N 1.166 121.679 120.570 -0.094 0.000 2.336 202 I HA 0.375 4.558 4.170 0.022 0.000 0.292 202 I C -2.127 173.790 176.117 -0.334 0.000 0.991 202 I CA -2.626 58.476 61.300 -0.329 0.000 1.227 202 I CB 0.676 38.537 38.000 -0.231 0.000 1.366 202 I HN 0.133 nan 8.210 nan 0.000 0.466 203 P HA -0.006 nan 4.420 nan 0.000 0.281 203 P C -0.169 177.013 177.300 -0.195 0.000 1.274 203 P CA -0.123 62.809 63.100 -0.279 0.000 0.794 203 P CB 0.386 31.915 31.700 -0.285 0.000 1.201 204 S N -0.210 115.421 115.700 -0.116 0.000 2.554 204 S HA 0.257 4.740 4.470 0.022 0.000 0.278 204 S C -0.181 174.386 174.600 -0.055 0.000 1.242 204 S CA -0.387 57.769 58.200 -0.074 0.000 1.051 204 S CB 0.191 63.363 63.200 -0.048 0.000 0.986 204 S HN 0.459 nan 8.310 nan 0.000 0.502 205 E N -0.012 120.167 120.200 -0.036 0.000 2.416 205 E HA -0.217 4.146 4.350 0.022 0.000 0.249 205 E C 0.500 177.099 176.600 -0.002 0.000 1.124 205 E CA 0.928 57.321 56.400 -0.011 0.000 0.732 205 E CB -2.106 27.593 29.700 -0.002 0.000 1.286 205 E HN 0.876 nan 8.360 nan 0.000 0.394 206 A N -0.395 122.412 122.820 -0.022 0.000 2.192 206 A HA 0.357 4.690 4.320 0.022 0.000 0.208 206 A C 0.923 178.538 177.584 0.052 0.000 1.220 206 A CA 0.211 52.255 52.037 0.012 0.000 0.900 206 A CB 0.736 19.637 19.000 -0.166 0.000 0.937 206 A HN 0.189 nan 8.150 nan 0.000 0.487 207 I N 1.555 122.143 120.570 0.031 0.000 2.436 207 I HA 0.356 4.539 4.170 0.022 0.000 0.289 207 I C -0.482 175.677 176.117 0.069 0.000 1.010 207 I CA -0.761 60.575 61.300 0.059 0.000 1.098 207 I CB 1.918 39.993 38.000 0.125 0.000 1.266 207 I HN 0.497 nan 8.210 nan 0.000 0.434 208 N N 3.755 122.490 118.700 0.059 0.000 3.461 208 N HA 0.310 5.063 4.740 0.022 0.000 0.295 208 N C 0.271 175.843 175.510 0.104 0.000 1.483 208 N CA -0.548 52.544 53.050 0.070 0.000 0.748 208 N CB 0.562 39.072 38.487 0.038 0.000 3.041 208 N HN 0.257 nan 8.380 nan 0.000 0.487 209 E N -0.419 119.823 120.200 0.069 0.000 2.251 209 E HA 0.354 4.717 4.350 0.022 0.000 0.194 209 E C 1.494 178.121 176.600 0.045 0.000 0.964 209 E CA 0.303 56.753 56.400 0.085 0.000 0.868 209 E CB -0.086 29.653 29.700 0.065 0.000 0.828 209 E HN 0.418 nan 8.360 nan 0.000 0.481 210 L N 0.885 122.116 121.223 0.013 0.000 2.465 210 L HA 0.020 4.373 4.340 0.022 0.000 0.224 210 L C 0.327 177.142 176.870 -0.091 0.000 1.145 210 L CA 0.470 55.311 54.840 0.002 0.000 0.834 210 L CB -0.354 41.722 42.059 0.029 0.000 0.944 210 L HN -0.030 nan 8.230 nan 0.000 0.451 211 T N 0.222 114.656 114.554 -0.200 0.000 2.765 211 T HA 0.068 4.431 4.350 0.022 0.000 0.284 211 T C 1.199 175.455 174.700 -0.741 0.000 0.946 211 T CA -0.175 61.622 62.100 -0.505 0.000 1.185 211 T CB 1.492 69.935 68.868 -0.709 0.000 0.887 211 T HN -0.080 nan 8.240 nan 0.000 0.532 212 V N 3.681 123.237 119.914 -0.597 0.000 2.490 212 V HA 0.318 4.451 4.120 0.022 0.000 0.238 212 V C 0.408 176.269 176.094 -0.388 0.000 1.056 212 V CA 0.328 62.355 62.300 -0.454 0.000 1.075 212 V CB -0.100 31.381 31.823 -0.571 0.000 0.746 212 V HN 0.572 nan 8.190 nan 0.000 0.479 213 L N -0.077 120.902 121.223 -0.407 0.000 2.401 213 L HA 0.763 5.116 4.340 0.022 0.000 0.266 213 L C -1.315 175.471 176.870 -0.138 0.000 0.991 213 L CA -0.346 54.382 54.840 -0.186 0.000 0.818 213 L CB 2.203 44.154 42.059 -0.179 0.000 1.321 213 L HN -0.046 nan 8.230 nan 0.000 0.413 214 V N 4.836 124.769 119.914 0.032 0.000 2.668 214 V HA 0.447 4.580 4.120 0.022 0.000 0.304 214 V C -1.059 175.139 176.094 0.173 0.000 1.071 214 V CA -0.555 61.810 62.300 0.110 0.000 0.894 214 V CB 1.905 33.850 31.823 0.204 0.000 1.008 214 V HN 0.625 nan 8.190 nan 0.000 0.425 215 L N 5.705 126.971 121.223 0.072 0.000 2.282 215 L HA 0.745 5.098 4.340 0.022 0.000 0.288 215 L C -0.550 176.430 176.870 0.183 0.000 1.033 215 L CA 0.026 54.878 54.840 0.021 0.000 0.807 215 L CB 1.621 43.531 42.059 -0.249 0.000 1.209 215 L HN 0.477 nan 8.230 nan 0.000 0.423 216 V N 5.993 126.059 119.914 0.253 0.000 2.444 216 V HA 0.580 4.713 4.120 0.022 0.000 0.294 216 V C -1.006 175.284 176.094 0.326 0.000 1.022 216 V CA -0.448 62.078 62.300 0.376 0.000 0.850 216 V CB 1.821 33.964 31.823 0.534 0.000 0.992 216 V HN 1.038 nan 8.190 nan 0.000 0.426 217 N N 3.082 121.998 118.700 0.360 0.000 2.242 217 N HA 0.840 5.593 4.740 0.022 0.000 0.292 217 N C -0.835 174.975 175.510 0.499 0.000 1.125 217 N CA -0.675 52.578 53.050 0.338 0.000 0.783 217 N CB 2.549 41.169 38.487 0.221 0.000 1.558 217 N HN 0.499 nan 8.380 nan 0.000 0.472 218 T N 0.179 114.960 114.554 0.378 0.000 2.733 218 T HA 0.488 4.851 4.350 0.022 0.000 0.312 218 T C -2.090 172.796 174.700 0.311 0.000 1.590 218 T CA -0.683 61.663 62.100 0.411 0.000 1.005 218 T CB 0.817 69.853 68.868 0.280 0.000 1.528 218 T HN 0.475 nan 8.240 nan 0.000 0.496 219 I N 2.458 123.266 120.570 0.396 0.000 2.934 219 I HA 0.546 4.729 4.170 0.022 0.000 0.306 219 I C -1.127 175.297 176.117 0.512 0.000 1.110 219 I CA -1.037 60.496 61.300 0.389 0.000 1.019 219 I CB 2.014 40.169 38.000 0.258 0.000 1.227 219 I HN 0.569 nan 8.210 nan 0.000 0.434 220 L N 5.394 126.869 121.223 0.420 0.000 2.377 220 L HA 0.483 4.835 4.340 0.022 0.000 0.270 220 L C -1.910 175.184 176.870 0.373 0.000 0.991 220 L CA -0.372 54.675 54.840 0.344 0.000 0.851 220 L CB 1.386 43.548 42.059 0.171 0.000 1.218 220 L HN 0.508 nan 8.230 nan 0.000 0.420 221 F N 5.422 125.522 119.950 0.250 0.000 2.444 221 F HA 0.572 5.112 4.527 0.022 0.000 0.342 221 F C -0.602 175.180 175.800 -0.031 0.000 1.121 221 F CA -0.433 57.651 58.000 0.140 0.000 0.997 221 F CB 1.263 40.410 39.000 0.245 0.000 1.130 221 F HN 0.394 nan 8.300 nan 0.000 0.454 222 K N 3.342 123.076 120.400 -1.111 0.000 2.468 222 K HA 1.008 5.341 4.320 0.022 0.000 0.252 222 K C -0.984 174.931 176.600 -1.143 0.000 0.932 222 K CA -0.358 55.338 56.287 -0.984 0.000 0.794 222 K CB 1.112 33.369 32.500 -0.404 0.000 1.241 222 K HN 1.518 nan 8.250 nan 0.000 0.428 223 G N 1.001 109.244 108.800 -0.927 0.000 2.547 223 G HA2 0.497 4.470 3.960 0.022 0.000 0.291 223 G HA3 0.497 4.470 3.960 0.022 0.000 0.291 223 G C -1.635 173.197 174.900 -0.113 0.000 1.471 223 G CA -1.115 43.701 45.100 -0.474 0.000 0.798 223 G HN 0.712 nan 8.290 nan 0.000 0.504 224 L N 0.059 121.344 121.223 0.102 0.000 2.334 224 L HA 0.488 4.841 4.340 0.022 0.000 0.275 224 L C -0.111 176.952 176.870 0.322 0.000 1.036 224 L CA -0.830 54.095 54.840 0.142 0.000 0.807 224 L CB 1.730 43.852 42.059 0.104 0.000 1.231 224 L HN 0.643 nan 8.230 nan 0.000 0.438 225 W N 2.512 123.944 121.300 0.220 0.000 2.264 225 W HA 0.003 4.670 4.660 0.012 0.000 0.331 225 W C 1.495 178.049 176.519 0.059 0.000 1.364 225 W CA -0.272 57.104 57.345 0.053 0.000 1.253 225 W CB 0.670 30.158 29.460 0.047 0.000 1.215 225 W HN 0.598 nan 8.180 nan 0.000 0.561 226 K N 1.429 122.019 120.400 0.316 0.000 2.362 226 K HA -0.124 4.209 4.320 0.022 0.000 0.200 226 K C 0.806 177.454 176.600 0.081 0.000 1.046 226 K CA 1.222 57.611 56.287 0.170 0.000 0.952 226 K CB 0.095 32.668 32.500 0.122 0.000 0.753 226 K HN 0.244 nan 8.250 nan 0.000 0.466 227 S N 0.991 116.732 115.700 0.069 0.000 2.204 227 S HA 0.236 4.719 4.470 0.022 0.000 0.147 227 S C -1.255 173.292 174.600 -0.088 0.000 1.711 227 S CA -0.902 57.260 58.200 -0.063 0.000 1.274 227 S CB 0.151 63.221 63.200 -0.216 0.000 1.257 227 S HN 0.206 nan 8.310 nan 0.000 0.404 228 K N 1.920 122.361 120.400 0.068 0.000 2.561 228 K HA 0.069 4.402 4.320 0.022 0.000 0.280 228 K C -0.267 176.341 176.600 0.013 0.000 0.975 228 K CA 0.581 56.965 56.287 0.161 0.000 1.024 228 K CB 0.196 32.824 32.500 0.213 0.000 0.883 228 K HN 0.403 nan 8.250 nan 0.000 0.496 229 F N 0.309 120.292 119.950 0.055 0.000 2.368 229 F HA 0.118 4.657 4.527 0.020 0.000 0.308 229 F C 1.231 177.063 175.800 0.054 0.000 1.198 229 F CA -0.147 57.855 58.000 0.003 0.000 1.130 229 F CB 1.020 40.011 39.000 -0.015 0.000 1.300 229 F HN 0.338 nan 8.300 nan 0.000 0.537 230 S N 1.084 116.945 115.700 0.268 0.000 2.478 230 S HA 0.384 4.867 4.470 0.022 0.000 0.312 230 S C -1.940 172.755 174.600 0.158 0.000 1.094 230 S CA -1.741 56.564 58.200 0.175 0.000 1.081 230 S CB 1.342 64.620 63.200 0.129 0.000 1.007 230 S HN 0.206 nan 8.310 nan 0.000 0.475 231 P HA -0.140 nan 4.420 nan 0.000 0.215 231 P C 0.834 178.182 177.300 0.080 0.000 1.157 231 P CA 1.281 64.435 63.100 0.090 0.000 0.874 231 P CB 0.091 31.834 31.700 0.072 0.000 0.790 232 E N -1.208 119.038 120.200 0.075 0.000 2.394 232 E HA -0.184 4.178 4.350 0.022 0.000 0.202 232 E C 1.020 177.662 176.600 0.069 0.000 1.029 232 E CA 0.691 57.128 56.400 0.062 0.000 0.855 232 E CB -0.447 29.288 29.700 0.057 0.000 0.770 232 E HN 0.321 nan 8.360 nan 0.000 0.527 233 N N -0.176 118.585 118.700 0.102 0.000 2.205 233 N HA 0.009 4.762 4.740 0.022 0.000 0.201 233 N C -0.345 175.231 175.510 0.111 0.000 1.128 233 N CA 0.264 53.386 53.050 0.120 0.000 0.867 233 N CB 0.883 39.511 38.487 0.236 0.000 0.996 233 N HN -0.057 nan 8.380 nan 0.000 0.503 234 T N 2.304 116.911 114.554 0.089 0.000 2.884 234 T HA 0.320 4.683 4.350 0.022 0.000 0.298 234 T C 0.545 175.276 174.700 0.052 0.000 0.998 234 T CA -0.176 61.965 62.100 0.068 0.000 1.124 234 T CB 0.713 69.607 68.868 0.043 0.000 0.931 234 T HN 0.299 nan 8.240 nan 0.000 0.531 235 R N 0.933 121.466 120.500 0.055 0.000 2.548 235 R HA 0.439 4.792 4.340 0.022 0.000 0.280 235 R C -1.149 175.179 176.300 0.046 0.000 1.061 235 R CA -1.283 54.841 56.100 0.041 0.000 0.915 235 R CB 1.116 31.433 30.300 0.029 0.000 1.210 235 R HN 0.172 nan 8.270 nan 0.000 0.442 236 K N 2.434 122.855 120.400 0.035 0.000 2.550 236 K HA 0.007 4.340 4.320 0.022 0.000 0.280 236 K C -0.483 176.137 176.600 0.033 0.000 0.987 236 K CA 0.785 57.092 56.287 0.033 0.000 1.048 236 K CB 0.406 32.920 32.500 0.024 0.000 0.879 236 K HN 0.703 nan 8.250 nan 0.000 0.491 237 E N 1.416 121.637 120.200 0.035 0.000 2.392 237 E HA 0.282 4.645 4.350 0.022 0.000 0.279 237 E C -0.707 175.883 176.600 -0.015 0.000 0.964 237 E CA -0.754 55.655 56.400 0.016 0.000 0.777 237 E CB 1.711 31.430 29.700 0.033 0.000 1.249 237 E HN 0.278 nan 8.360 nan 0.000 0.449 238 L N 2.506 123.674 121.223 -0.091 0.000 2.410 238 L HA 0.260 4.612 4.340 0.022 0.000 0.273 238 L C -0.413 176.192 176.870 -0.442 0.000 1.144 238 L CA 0.064 54.770 54.840 -0.224 0.000 0.863 238 L CB 0.025 41.927 42.059 -0.263 0.000 1.140 238 L HN 0.387 nan 8.230 nan 0.000 0.463 239 F N 3.869 123.557 119.950 -0.438 0.000 2.411 239 F HA 0.376 4.916 4.527 0.021 0.000 0.352 239 F C -0.482 175.066 175.800 -0.421 0.000 1.123 239 F CA -0.676 57.092 58.000 -0.387 0.000 1.044 239 F CB 0.689 39.606 39.000 -0.138 0.000 1.135 239 F HN 0.182 nan 8.300 nan 0.000 0.461 240 Y N 5.694 125.875 120.300 -0.198 0.000 2.452 240 Y HA 0.309 4.873 4.550 0.025 0.000 0.348 240 Y C 0.512 176.418 175.900 0.012 0.000 0.985 240 Y CA -0.668 57.390 58.100 -0.071 0.000 1.214 240 Y CB 0.228 38.609 38.460 -0.132 0.000 1.136 240 Y HN 0.455 nan 8.280 nan 0.000 0.523 241 K N 1.281 121.845 120.400 0.273 0.000 2.117 241 K HA 0.499 4.832 4.320 0.022 0.000 0.240 241 K C 1.178 177.874 176.600 0.160 0.000 1.031 241 K CA -0.016 56.430 56.287 0.264 0.000 0.909 241 K CB 0.653 33.277 32.500 0.206 0.000 1.097 241 K HN 0.691 nan 8.250 nan 0.000 0.492 242 A N 1.340 124.238 122.820 0.130 0.000 1.948 242 A HA -0.262 4.071 4.320 0.022 0.000 0.220 242 A C 1.447 179.066 177.584 0.059 0.000 1.177 242 A CA 2.468 54.553 52.037 0.081 0.000 0.636 242 A CB -0.960 18.076 19.000 0.061 0.000 0.815 242 A HN 0.909 nan 8.150 nan 0.000 0.449 243 D N -1.826 118.610 120.400 0.060 0.000 2.074 243 D HA 0.280 4.933 4.640 0.022 0.000 0.221 243 D C 1.480 177.807 176.300 0.044 0.000 0.972 243 D CA 1.601 55.627 54.000 0.044 0.000 0.901 243 D CB -0.669 40.155 40.800 0.041 0.000 1.047 243 D HN 0.411 nan 8.370 nan 0.000 0.453 244 G N -1.838 106.995 108.800 0.056 0.000 3.163 244 G HA2 0.001 3.974 3.960 0.022 0.000 0.152 244 G HA3 0.001 3.974 3.960 0.022 0.000 0.152 244 G C 0.528 175.476 174.900 0.080 0.000 1.379 244 G CA -0.316 44.814 45.100 0.049 0.000 0.789 244 G HN 0.097 nan 8.290 nan 0.000 0.960 245 E N 1.324 121.577 120.200 0.089 0.000 3.271 245 E HA 0.430 4.793 4.350 0.022 0.000 0.332 245 E C 0.546 177.252 176.600 0.177 0.000 1.505 245 E CA 0.981 57.446 56.400 0.107 0.000 1.676 245 E CB 0.432 30.180 29.700 0.081 0.000 1.053 245 E HN 0.553 nan 8.360 nan 0.000 0.687 246 S N -1.866 113.924 115.700 0.150 0.000 2.578 246 S HA 0.587 5.070 4.470 0.022 0.000 0.272 246 S C -0.517 174.125 174.600 0.070 0.000 1.145 246 S CA -0.650 57.630 58.200 0.134 0.000 0.835 246 S CB 0.536 63.858 63.200 0.204 0.000 1.104 246 S HN 0.819 nan 8.310 nan 0.000 0.458 247 c N -0.538 118.085 118.600 0.038 0.000 3.336 247 c HA 0.910 5.493 4.570 0.022 0.000 0.339 247 c C -0.001 174.099 174.090 0.017 0.000 1.468 247 c CA -0.484 55.863 56.329 0.030 0.000 1.287 247 c CB 0.905 43.433 42.510 0.030 0.000 1.682 247 c HN 1.203 nan 8.230 nan 0.000 0.451 248 S N 0.759 116.468 115.700 0.014 0.000 2.411 248 S HA 0.666 5.149 4.470 0.022 0.000 0.294 248 S C -0.041 174.570 174.600 0.018 0.000 1.115 248 S CA 0.358 58.567 58.200 0.015 0.000 1.071 248 S CB -0.541 62.667 63.200 0.013 0.000 0.967 248 S HN 1.701 nan 8.310 nan 0.000 0.488 249 A N 4.019 126.862 122.820 0.037 0.000 2.384 249 A HA 0.753 5.086 4.320 0.022 0.000 0.312 249 A C -0.147 177.471 177.584 0.057 0.000 1.113 249 A CA -0.763 51.301 52.037 0.046 0.000 0.779 249 A CB 1.480 20.533 19.000 0.089 0.000 1.307 249 A HN 0.673 nan 8.150 nan 0.000 0.436 250 S N 1.382 117.115 115.700 0.054 0.000 2.464 250 S HA 0.309 4.792 4.470 0.022 0.000 0.313 250 S C -0.172 174.465 174.600 0.062 0.000 1.078 250 S CA -0.171 58.059 58.200 0.049 0.000 1.096 250 S CB -0.335 62.883 63.200 0.031 0.000 1.032 250 S HN 0.586 nan 8.310 nan 0.000 0.498 251 M N 4.591 124.239 119.600 0.080 0.000 2.184 251 M HA 0.316 4.809 4.480 0.022 0.000 0.351 251 M C -0.236 176.106 176.300 0.069 0.000 1.395 251 M CA 0.306 55.667 55.300 0.102 0.000 1.117 251 M CB 0.044 32.736 32.600 0.154 0.000 1.708 251 M HN 0.505 nan 8.290 nan 0.000 0.468 252 M N 4.076 123.660 119.600 -0.027 0.000 2.288 252 M HA 0.314 4.807 4.480 0.022 0.000 0.334 252 M C -1.066 175.258 176.300 0.040 0.000 1.150 252 M CA -0.369 54.856 55.300 -0.125 0.000 1.118 252 M CB 1.128 33.346 32.600 -0.637 0.000 1.501 252 M HN 0.669 nan 8.290 nan 0.000 0.462 253 Y N 1.701 122.028 120.300 0.045 0.000 2.534 253 Y HA 0.521 5.081 4.550 0.016 0.000 0.345 253 Y C -1.215 174.782 175.900 0.162 0.000 1.031 253 Y CA -0.475 57.641 58.100 0.026 0.000 1.022 253 Y CB 1.680 40.079 38.460 -0.102 0.000 1.292 253 Y HN 0.770 nan 8.280 nan 0.000 0.459 254 Q N 2.518 121.745 119.800 -0.956 0.000 2.900 254 Q HA 0.509 4.862 4.340 0.022 0.000 0.297 254 Q C -2.308 173.274 176.000 -0.696 0.000 0.889 254 Q CA -1.182 54.207 55.803 -0.691 0.000 0.777 254 Q CB 2.024 30.508 28.738 -0.423 0.000 1.518 254 Q HN 0.697 nan 8.270 nan 0.000 0.430 255 E N -0.327 119.648 120.200 -0.375 0.000 2.393 255 E HA 0.882 5.244 4.350 0.022 0.000 0.273 255 E C -0.601 175.930 176.600 -0.115 0.000 0.918 255 E CA -0.956 55.319 56.400 -0.209 0.000 0.773 255 E CB 2.394 32.000 29.700 -0.156 0.000 1.275 255 E HN 1.007 nan 8.360 nan 0.000 0.451 256 G N 0.837 109.591 108.800 -0.076 0.000 2.341 256 G HA2 0.081 4.054 3.960 0.022 0.000 0.293 256 G HA3 0.081 4.054 3.960 0.022 0.000 0.293 256 G C -1.494 173.239 174.900 -0.278 0.000 1.298 256 G CA -1.123 43.845 45.100 -0.220 0.000 0.868 256 G HN 0.252 nan 8.290 nan 0.000 0.540 257 K N -0.373 119.778 120.400 -0.415 0.000 2.368 257 K HA 0.544 4.877 4.320 0.022 0.000 0.282 257 K C -1.343 174.884 176.600 -0.622 0.000 1.035 257 K CA 0.410 56.488 56.287 -0.349 0.000 0.973 257 K CB 0.521 32.859 32.500 -0.270 0.000 0.957 257 K HN 0.272 nan 8.250 nan 0.000 0.474 258 F N 0.983 120.852 119.950 -0.135 0.000 2.622 258 F HA 0.247 4.786 4.527 0.019 0.000 0.318 258 F C 0.046 175.806 175.800 -0.066 0.000 1.135 258 F CA -0.871 57.048 58.000 -0.135 0.000 1.015 258 F CB 1.387 40.266 39.000 -0.203 0.000 1.275 258 F HN 0.257 nan 8.300 nan 0.000 0.457 259 R N 2.392 122.981 120.500 0.149 0.000 2.522 259 R HA 0.233 4.586 4.340 0.022 0.000 0.284 259 R C -1.189 175.205 176.300 0.156 0.000 1.032 259 R CA 0.363 56.529 56.100 0.111 0.000 1.049 259 R CB 0.449 30.792 30.300 0.071 0.000 0.956 259 R HN 0.714 nan 8.270 nan 0.000 0.422 260 Y N 1.249 121.541 120.300 -0.013 0.000 2.715 260 Y HA 0.584 5.147 4.550 0.021 0.000 0.331 260 Y C -1.303 174.579 175.900 -0.030 0.000 1.197 260 Y CA -1.227 56.852 58.100 -0.035 0.000 1.079 260 Y CB 1.825 40.269 38.460 -0.028 0.000 1.298 260 Y HN 0.504 nan 8.280 nan 0.000 0.477 261 R N 2.562 122.679 120.500 -0.639 0.000 3.737 261 R HA 0.273 4.626 4.340 0.022 0.000 0.240 261 R C -2.366 173.506 176.300 -0.713 0.000 1.044 261 R CA -0.646 55.206 56.100 -0.414 0.000 1.164 261 R CB 0.820 30.983 30.300 -0.228 0.000 1.244 261 R HN 0.866 nan 8.270 nan 0.000 0.537 262 R N 3.501 123.787 120.500 -0.357 0.000 2.312 262 R HA 0.696 5.049 4.340 0.022 0.000 0.311 262 R C -0.118 176.024 176.300 -0.264 0.000 1.004 262 R CA -0.421 55.510 56.100 -0.282 0.000 0.902 262 R CB 0.959 31.242 30.300 -0.027 0.000 1.073 262 R HN 0.511 nan 8.270 nan 0.000 0.457 263 V N 0.773 120.475 119.914 -0.355 0.000 3.221 263 V HA 0.723 4.856 4.120 0.022 0.000 0.305 263 V C -0.052 175.922 176.094 -0.200 0.000 1.263 263 V CA -1.020 61.072 62.300 -0.346 0.000 1.048 263 V CB 0.820 32.186 31.823 -0.762 0.000 1.203 263 V HN 0.907 nan 8.190 nan 0.000 0.476 264 A N 0.337 123.100 122.820 -0.095 0.000 2.602 264 A HA 0.098 4.431 4.320 0.022 0.000 0.257 264 A C 0.779 178.357 177.584 -0.009 0.000 0.973 264 A CA 1.307 53.350 52.037 0.010 0.000 0.862 264 A CB -1.545 17.535 19.000 0.134 0.000 0.855 264 A HN 1.400 nan 8.150 nan 0.000 0.492 265 E N 0.988 121.187 120.200 -0.002 0.000 2.297 265 E HA -0.228 4.135 4.350 0.022 0.000 0.228 265 E C 0.977 177.560 176.600 -0.028 0.000 1.213 265 E CA 0.955 57.353 56.400 -0.004 0.000 0.712 265 E CB -2.130 27.581 29.700 0.018 0.000 1.202 265 E HN 2.347 nan 8.360 nan 0.000 0.376 266 G N 0.151 108.922 108.800 -0.049 0.000 2.233 266 G HA2 -0.389 3.584 3.960 0.022 0.000 0.270 266 G HA3 -0.389 3.584 3.960 0.022 0.000 0.270 266 G C 0.330 175.173 174.900 -0.094 0.000 1.011 266 G CA 0.851 45.914 45.100 -0.061 0.000 0.762 266 G HN 0.353 nan 8.290 nan 0.000 0.511 267 T N 0.913 115.382 114.554 -0.142 0.000 2.851 267 T HA 0.425 4.788 4.350 0.022 0.000 0.298 267 T C 0.563 175.099 174.700 -0.272 0.000 0.977 267 T CA 0.126 62.119 62.100 -0.179 0.000 1.126 267 T CB 0.974 69.727 68.868 -0.191 0.000 0.916 267 T HN 0.435 nan 8.240 nan 0.000 0.529 268 Q N 1.874 121.565 119.800 -0.181 0.000 2.243 268 Q HA 0.517 4.870 4.340 0.022 0.000 0.252 268 Q C -0.885 175.063 176.000 -0.087 0.000 0.909 268 Q CA -0.680 55.026 55.803 -0.161 0.000 0.922 268 Q CB 1.630 30.406 28.738 0.064 0.000 1.215 268 Q HN 0.371 nan 8.270 nan 0.000 0.427 269 V N 4.168 123.906 119.914 -0.294 0.000 2.349 269 V HA 0.282 4.414 4.120 0.022 0.000 0.284 269 V C -0.998 174.972 176.094 -0.207 0.000 1.014 269 V CA -0.687 61.501 62.300 -0.187 0.000 0.826 269 V CB 1.186 32.838 31.823 -0.286 0.000 1.009 269 V HN 0.527 nan 8.190 nan 0.000 0.431 270 L N 4.227 125.360 121.223 -0.149 0.000 2.313 270 L HA 0.638 4.991 4.340 0.022 0.000 0.283 270 L C -0.211 176.532 176.870 -0.212 0.000 1.013 270 L CA 0.046 54.688 54.840 -0.330 0.000 0.816 270 L CB 1.627 43.034 42.059 -1.086 0.000 1.236 270 L HN 0.722 nan 8.230 nan 0.000 0.419 271 E N 5.352 125.482 120.200 -0.117 0.000 2.113 271 E HA 0.416 4.779 4.350 0.022 0.000 0.273 271 E C -1.525 175.055 176.600 -0.033 0.000 0.924 271 E CA -0.533 55.849 56.400 -0.030 0.000 0.764 271 E CB 0.862 30.588 29.700 0.045 0.000 1.104 271 E HN 0.694 nan 8.360 nan 0.000 0.406 272 L N 7.504 128.667 121.223 -0.100 0.000 2.272 272 L HA 0.506 4.859 4.340 0.022 0.000 0.289 272 L C -2.112 174.774 176.870 0.026 0.000 1.032 272 L CA -1.921 52.821 54.840 -0.163 0.000 0.810 272 L CB 1.214 42.896 42.059 -0.629 0.000 1.205 272 L HN 0.415 nan 8.230 nan 0.000 0.422 273 P HA 0.402 nan 4.420 nan 0.000 0.283 273 P C -1.121 176.266 177.300 0.145 0.000 1.278 273 P CA -0.524 62.662 63.100 0.143 0.000 0.834 273 P CB 1.344 33.132 31.700 0.146 0.000 1.150 274 F N -0.859 119.298 119.950 0.345 0.000 2.450 274 F HA 0.260 4.798 4.527 0.019 0.000 0.328 274 F C 1.255 177.187 175.800 0.220 0.000 1.068 274 F CA -0.662 57.531 58.000 0.322 0.000 1.007 274 F CB 1.018 40.213 39.000 0.325 0.000 1.251 274 F HN -0.053 nan 8.300 nan 0.000 0.492 275 K N 0.838 121.468 120.400 0.384 0.000 2.430 275 K HA 0.379 4.712 4.320 0.022 0.000 0.280 275 K C 0.736 177.465 176.600 0.214 0.000 1.063 275 K CA 0.730 57.156 56.287 0.232 0.000 1.071 275 K CB -0.147 32.458 32.500 0.175 0.000 0.899 275 K HN 0.997 nan 8.250 nan 0.000 0.473 276 G N 1.434 110.333 108.800 0.165 0.000 2.541 276 G HA2 -0.212 3.761 3.960 0.022 0.000 0.201 276 G HA3 -0.212 3.761 3.960 0.022 0.000 0.201 276 G C 0.338 175.320 174.900 0.137 0.000 1.026 276 G CA 0.256 45.440 45.100 0.141 0.000 0.687 276 G HN 0.712 nan 8.290 nan 0.000 0.492 277 D N 0.071 120.578 120.400 0.179 0.000 2.653 277 D HA -0.163 4.490 4.640 0.022 0.000 0.184 277 D C 0.697 177.089 176.300 0.154 0.000 0.993 277 D CA 1.601 55.695 54.000 0.157 0.000 1.027 277 D CB -1.366 39.494 40.800 0.099 0.000 1.089 277 D HN 0.524 nan 8.370 nan 0.000 0.447 278 D N 0.245 120.734 120.400 0.149 0.000 2.277 278 D HA 0.025 4.678 4.640 0.022 0.000 0.208 278 D C 1.094 177.479 176.300 0.142 0.000 0.962 278 D CA 0.655 54.728 54.000 0.122 0.000 0.865 278 D CB 0.644 41.502 40.800 0.096 0.000 0.939 278 D HN 0.390 nan 8.370 nan 0.000 0.510 279 I N 1.533 122.232 120.570 0.215 0.000 2.389 279 I HA 0.191 4.374 4.170 0.022 0.000 0.288 279 I C 0.415 176.817 176.117 0.474 0.000 0.999 279 I CA -0.308 61.123 61.300 0.220 0.000 1.129 279 I CB 1.515 39.585 38.000 0.117 0.000 1.288 279 I HN -0.192 nan 8.210 nan 0.000 0.444 280 T N 3.239 118.031 114.554 0.397 0.000 2.887 280 T HA 0.726 5.089 4.350 0.022 0.000 0.292 280 T C -0.612 174.366 174.700 0.462 0.000 1.087 280 T CA -0.871 61.493 62.100 0.440 0.000 1.009 280 T CB 2.630 71.646 68.868 0.247 0.000 1.203 280 T HN 0.506 nan 8.240 nan 0.000 0.518 281 M N 2.465 122.307 119.600 0.404 0.000 2.243 281 M HA 0.648 5.141 4.480 0.022 0.000 0.324 281 M C -1.859 174.625 176.300 0.308 0.000 1.031 281 M CA -0.726 54.842 55.300 0.447 0.000 0.949 281 M CB 1.342 34.287 32.600 0.575 0.000 1.615 281 M HN 0.582 nan 8.290 nan 0.000 0.430 282 V N 6.459 126.584 119.914 0.352 0.000 2.398 282 V HA 0.483 4.616 4.120 0.022 0.000 0.286 282 V C -0.267 176.063 176.094 0.394 0.000 1.026 282 V CA -0.691 61.769 62.300 0.266 0.000 0.868 282 V CB 1.550 33.468 31.823 0.158 0.000 0.982 282 V HN 0.803 nan 8.190 nan 0.000 0.443 283 L N 5.674 127.061 121.223 0.274 0.000 2.325 283 L HA 0.636 4.989 4.340 0.022 0.000 0.278 283 L C -0.595 176.515 176.870 0.400 0.000 1.023 283 L CA -0.543 54.544 54.840 0.411 0.000 0.811 283 L CB 1.994 44.230 42.059 0.296 0.000 1.249 283 L HN 0.477 nan 8.230 nan 0.000 0.431 284 I N 4.302 125.169 120.570 0.494 0.000 2.466 284 I HA 0.235 4.418 4.170 0.022 0.000 0.279 284 I C -1.085 175.248 176.117 0.359 0.000 1.033 284 I CA -0.457 61.074 61.300 0.385 0.000 1.123 284 I CB 2.042 40.328 38.000 0.476 0.000 1.237 284 I HN 0.314 nan 8.210 nan 0.000 0.460 285 L N 10.359 131.714 121.223 0.221 0.000 2.298 285 L HA 0.703 5.056 4.340 0.022 0.000 0.284 285 L C -2.540 174.324 176.870 -0.011 0.000 1.013 285 L CA -1.860 53.024 54.840 0.074 0.000 0.824 285 L CB 1.260 43.165 42.059 -0.257 0.000 1.221 285 L HN 0.194 nan 8.230 nan 0.000 0.418 286 P HA 0.246 nan 4.420 nan 0.000 0.279 286 P C -1.223 176.053 177.300 -0.041 0.000 1.252 286 P CA -0.706 62.396 63.100 0.003 0.000 0.811 286 P CB 0.931 32.664 31.700 0.055 0.000 1.035 287 K N 1.709 122.083 120.400 -0.044 0.000 2.344 287 K HA 0.061 4.394 4.320 0.022 0.000 0.260 287 K C -1.940 174.632 176.600 -0.047 0.000 0.988 287 K CA -0.851 55.404 56.287 -0.054 0.000 0.909 287 K CB -1.004 31.471 32.500 -0.041 0.000 0.968 287 K HN 0.140 nan 8.250 nan 0.000 0.505 288 P HA -0.172 nan 4.420 nan 0.000 0.215 288 P C 0.433 177.705 177.300 -0.046 0.000 1.157 288 P CA 1.456 64.520 63.100 -0.060 0.000 0.868 288 P CB 0.087 31.740 31.700 -0.078 0.000 0.788 289 E N -0.449 119.727 120.200 -0.040 0.000 2.204 289 E HA -0.119 4.244 4.350 0.022 0.000 0.195 289 E C 0.888 177.479 176.600 -0.015 0.000 0.990 289 E CA 0.954 57.336 56.400 -0.030 0.000 0.821 289 E CB -0.552 29.131 29.700 -0.027 0.000 0.750 289 E HN 0.258 nan 8.360 nan 0.000 0.477 290 K N 0.356 120.752 120.400 -0.008 0.000 2.118 290 K HA 0.311 4.643 4.320 0.022 0.000 0.267 290 K C -0.425 176.186 176.600 0.019 0.000 0.991 290 K CA -0.382 55.911 56.287 0.010 0.000 0.916 290 K CB 1.349 33.861 32.500 0.019 0.000 1.041 290 K HN -0.048 nan 8.250 nan 0.000 0.455 291 S N 3.114 118.831 115.700 0.029 0.000 2.541 291 S HA 0.143 4.626 4.470 0.022 0.000 0.283 291 S C 0.901 175.537 174.600 0.059 0.000 1.196 291 S CA -0.780 57.443 58.200 0.037 0.000 1.062 291 S CB 0.928 64.146 63.200 0.029 0.000 1.009 291 S HN 0.663 nan 8.310 nan 0.000 0.502 292 L N 5.689 126.955 121.223 0.071 0.000 2.187 292 L HA 0.028 4.381 4.340 0.022 0.000 0.213 292 L C 2.307 179.234 176.870 0.095 0.000 1.100 292 L CA 2.420 57.320 54.840 0.100 0.000 0.765 292 L CB -1.344 40.777 42.059 0.104 0.000 0.904 292 L HN 0.882 nan 8.230 nan 0.000 0.437 293 A N -0.485 122.373 122.820 0.064 0.000 1.841 293 A HA -0.241 4.092 4.320 0.022 0.000 0.216 293 A C 2.284 179.900 177.584 0.053 0.000 1.199 293 A CA 1.999 54.064 52.037 0.046 0.000 0.621 293 A CB -0.592 18.422 19.000 0.023 0.000 0.835 293 A HN 0.385 nan 8.150 nan 0.000 0.445 294 K N -0.454 119.975 120.400 0.050 0.000 2.032 294 K HA -0.185 4.148 4.320 0.022 0.000 0.218 294 K C 2.040 178.687 176.600 0.079 0.000 1.054 294 K CA 1.700 58.019 56.287 0.053 0.000 0.941 294 K CB -1.182 31.349 32.500 0.052 0.000 0.720 294 K HN 0.342 nan 8.250 nan 0.000 0.449 295 V N 1.769 121.750 119.914 0.112 0.000 2.282 295 V HA -0.259 3.874 4.120 0.022 0.000 0.249 295 V C 2.339 178.525 176.094 0.154 0.000 1.057 295 V CA 1.877 64.278 62.300 0.167 0.000 1.032 295 V CB -0.478 31.472 31.823 0.212 0.000 0.645 295 V HN 0.401 nan 8.190 nan 0.000 0.447 296 E N -0.136 120.152 120.200 0.146 0.000 2.058 296 E HA -0.261 4.102 4.350 0.022 0.000 0.194 296 E C 2.322 178.984 176.600 0.103 0.000 0.997 296 E CA 1.487 57.986 56.400 0.165 0.000 0.801 296 E CB -0.160 29.643 29.700 0.171 0.000 0.746 296 E HN 0.610 nan 8.360 nan 0.000 0.450 297 K N 0.669 121.103 120.400 0.057 0.000 2.057 297 K HA -0.127 4.206 4.320 0.022 0.000 0.206 297 K C 1.957 178.564 176.600 0.011 0.000 1.050 297 K CA 1.170 57.468 56.287 0.019 0.000 0.935 297 K CB -0.032 32.470 32.500 0.003 0.000 0.715 297 K HN 0.140 nan 8.250 nan 0.000 0.439 298 E N 0.890 121.105 120.200 0.025 0.000 2.358 298 E HA -0.045 4.318 4.350 0.022 0.000 0.195 298 E C 0.313 176.883 176.600 -0.049 0.000 1.010 298 E CA -0.011 56.393 56.400 0.007 0.000 0.856 298 E CB 0.135 29.863 29.700 0.047 0.000 0.795 298 E HN 0.083 nan 8.360 nan 0.000 0.504 299 L N 3.400 124.592 121.223 -0.051 0.000 2.536 299 L HA 0.066 4.419 4.340 0.022 0.000 0.282 299 L C 0.010 176.795 176.870 -0.143 0.000 1.147 299 L CA 0.874 55.616 54.840 -0.163 0.000 0.936 299 L CB -0.652 41.371 42.059 -0.060 0.000 1.279 299 L HN 0.018 nan 8.230 nan 0.000 0.461 300 T N 2.583 117.015 114.554 -0.203 0.000 2.943 300 T HA 0.480 4.842 4.350 0.022 0.000 0.284 300 T C -1.854 172.738 174.700 -0.180 0.000 1.015 300 T CA -1.805 60.206 62.100 -0.148 0.000 1.042 300 T CB 1.643 70.438 68.868 -0.122 0.000 1.055 300 T HN 0.273 nan 8.240 nan 0.000 0.500 301 P HA -0.165 nan 4.420 nan 0.000 0.216 301 P C 1.557 178.765 177.300 -0.154 0.000 1.153 301 P CA 1.130 64.153 63.100 -0.129 0.000 0.858 301 P CB 0.095 31.736 31.700 -0.097 0.000 0.789 302 E N -0.853 119.264 120.200 -0.139 0.000 2.285 302 E HA -0.048 4.315 4.350 0.022 0.000 0.194 302 E C 1.970 178.465 176.600 -0.174 0.000 0.997 302 E CA 0.830 57.157 56.400 -0.122 0.000 0.845 302 E CB -1.253 28.399 29.700 -0.080 0.000 0.782 302 E HN 0.135 nan 8.360 nan 0.000 0.491 303 V N 1.529 121.278 119.914 -0.276 0.000 2.346 303 V HA -0.179 3.954 4.120 0.022 0.000 0.244 303 V C 2.411 178.055 176.094 -0.749 0.000 1.037 303 V CA 1.326 63.346 62.300 -0.467 0.000 1.029 303 V CB -0.442 31.058 31.823 -0.539 0.000 0.663 303 V HN 0.171 nan 8.190 nan 0.000 0.454 304 L N 0.287 121.116 121.223 -0.658 0.000 2.046 304 L HA -0.200 4.153 4.340 0.022 0.000 0.208 304 L C 2.426 179.148 176.870 -0.246 0.000 1.077 304 L CA 2.405 56.920 54.840 -0.542 0.000 0.747 304 L CB -0.802 41.029 42.059 -0.381 0.000 0.896 304 L HN 0.389 nan 8.230 nan 0.000 0.432 305 Q N -0.252 119.438 119.800 -0.184 0.000 2.096 305 Q HA -0.248 4.104 4.340 0.022 0.000 0.204 305 Q C 2.261 178.256 176.000 -0.008 0.000 0.982 305 Q CA 2.066 57.823 55.803 -0.075 0.000 0.850 305 Q CB -0.416 28.286 28.738 -0.060 0.000 0.901 305 Q HN 0.629 nan 8.270 nan 0.000 0.422 306 E N -0.951 119.236 120.200 -0.022 0.000 2.047 306 E HA -0.157 4.206 4.350 0.022 0.000 0.191 306 E C 1.507 178.217 176.600 0.183 0.000 0.987 306 E CA 1.133 57.570 56.400 0.063 0.000 0.799 306 E CB -0.263 29.464 29.700 0.045 0.000 0.752 306 E HN 0.475 nan 8.360 nan 0.000 0.449 307 W N 1.272 122.548 121.300 -0.040 0.000 2.317 307 W HA -0.171 4.502 4.660 0.021 0.000 0.318 307 W C 2.451 178.936 176.519 -0.057 0.000 1.227 307 W CA 0.735 58.048 57.345 -0.053 0.000 1.269 307 W CB -1.260 28.155 29.460 -0.074 0.000 1.155 307 W HN 0.122 nan 8.180 nan 0.000 0.484 308 L N -0.459 120.876 121.223 0.187 0.000 2.191 308 L HA -0.191 4.162 4.340 0.022 0.000 0.212 308 L C 2.079 178.990 176.870 0.068 0.000 1.103 308 L CA 1.269 56.158 54.840 0.083 0.000 0.769 308 L CB -0.791 41.289 42.059 0.034 0.000 0.908 308 L HN -0.078 nan 8.230 nan 0.000 0.438 309 D N 0.710 121.158 120.400 0.080 0.000 2.264 309 D HA -0.146 4.507 4.640 0.022 0.000 0.208 309 D C 0.994 177.325 176.300 0.053 0.000 0.966 309 D CA 1.023 55.061 54.000 0.065 0.000 0.864 309 D CB 0.200 41.041 40.800 0.070 0.000 0.933 309 D HN 0.610 nan 8.370 nan 0.000 0.499 310 E N 0.138 120.372 120.200 0.057 0.000 2.499 310 E HA 0.214 4.577 4.350 0.022 0.000 0.207 310 E C 0.076 176.689 176.600 0.020 0.000 1.034 310 E CA -0.223 56.200 56.400 0.037 0.000 1.098 310 E CB 0.173 29.897 29.700 0.040 0.000 1.148 310 E HN 0.116 nan 8.360 nan 0.000 0.447 311 L N 2.009 123.247 121.223 0.024 0.000 2.290 311 L HA 0.349 4.702 4.340 0.022 0.000 0.284 311 L C 0.020 176.912 176.870 0.036 0.000 1.078 311 L CA -0.543 54.310 54.840 0.022 0.000 0.815 311 L CB 0.935 43.008 42.059 0.024 0.000 1.162 311 L HN 0.181 nan 8.230 nan 0.000 0.435 312 E N 3.005 123.237 120.200 0.053 0.000 2.227 312 E HA 0.207 4.570 4.350 0.022 0.000 0.268 312 E C -0.745 175.890 176.600 0.058 0.000 0.907 312 E CA -0.614 55.815 56.400 0.048 0.000 0.786 312 E CB 1.421 31.148 29.700 0.045 0.000 1.191 312 E HN 0.426 nan 8.360 nan 0.000 0.411 313 E N 3.271 123.488 120.200 0.028 0.000 2.384 313 E HA 0.223 4.586 4.350 0.022 0.000 0.266 313 E C -0.640 175.963 176.600 0.006 0.000 1.012 313 E CA 0.341 56.747 56.400 0.010 0.000 0.901 313 E CB 0.487 30.174 29.700 -0.022 0.000 0.967 313 E HN 0.490 nan 8.360 nan 0.000 0.435 314 M N 1.937 121.535 119.600 -0.004 0.000 2.534 314 M HA 0.321 4.814 4.480 0.022 0.000 0.280 314 M C -0.546 175.717 176.300 -0.063 0.000 1.217 314 M CA -0.597 54.683 55.300 -0.034 0.000 0.893 314 M CB 2.048 34.627 32.600 -0.035 0.000 1.730 314 M HN 0.577 nan 8.290 nan 0.000 0.483 315 M N 2.991 122.543 119.600 -0.080 0.000 2.180 315 M HA 0.848 5.341 4.480 0.022 0.000 0.358 315 M C -0.982 175.261 176.300 -0.095 0.000 1.233 315 M CA -0.206 55.045 55.300 -0.083 0.000 1.114 315 M CB -0.186 nan 32.600 nan 0.000 1.594 315 M HN 0.729 nan 8.290 nan 0.000 0.467 316 L N 1.099 122.279 121.223 -0.071 0.000 2.838 316 L HA 0.921 5.274 4.340 0.022 0.000 0.266 316 L C -1.044 175.780 176.870 -0.076 0.000 1.040 316 L CA -1.099 53.680 54.840 -0.101 0.000 0.906 316 L CB 1.297 43.229 42.059 -0.211 0.000 1.501 316 L HN 0.423 nan 8.230 nan 0.000 0.407 317 V N 1.632 121.510 119.914 -0.060 0.000 2.333 317 V HA 0.503 4.636 4.120 0.022 0.000 0.274 317 V C -0.077 175.979 176.094 -0.063 0.000 1.028 317 V CA -0.485 61.768 62.300 -0.079 0.000 0.851 317 V CB 1.209 33.086 31.823 0.090 0.000 1.000 317 V HN 0.525 nan 8.190 nan 0.000 0.456 318 V N 5.197 124.960 119.914 -0.253 0.000 2.439 318 V HA 0.402 4.535 4.120 0.022 0.000 0.282 318 V C -0.486 175.522 176.094 -0.144 0.000 1.039 318 V CA -0.519 61.692 62.300 -0.148 0.000 0.913 318 V CB 1.256 32.864 31.823 -0.360 0.000 0.983 318 V HN 0.895 nan 8.190 nan 0.000 0.460 319 H N 5.353 124.515 119.070 0.154 0.000 2.708 319 H HA 0.683 5.252 4.556 0.022 0.000 0.320 319 H C -0.160 175.238 175.328 0.117 0.000 0.991 319 H CA -0.338 55.806 56.048 0.160 0.000 1.243 319 H CB 1.383 31.236 29.762 0.151 0.000 1.446 319 H HN 0.716 nan 8.280 nan 0.000 0.502 320 M N 3.734 123.402 119.600 0.114 0.000 2.271 320 M HA 0.561 5.054 4.480 0.022 0.000 0.285 320 M C -3.280 173.042 176.300 0.037 0.000 1.059 320 M CA -2.015 53.318 55.300 0.056 0.000 0.940 320 M CB 3.255 35.854 32.600 -0.002 0.000 1.636 320 M HN 0.189 nan 8.290 nan 0.000 0.460 321 P HA 0.162 nan 4.420 nan 0.000 0.272 321 P C -1.159 176.295 177.300 0.257 0.000 1.223 321 P CA 0.043 63.280 63.100 0.229 0.000 0.784 321 P CB 0.625 32.527 31.700 0.336 0.000 0.923 322 R N 2.041 122.618 120.500 0.129 0.000 2.531 322 R HA 0.608 4.961 4.340 0.022 0.000 0.273 322 R C 0.045 176.448 176.300 0.171 0.000 1.070 322 R CA -0.127 55.995 56.100 0.036 0.000 1.112 322 R CB 0.284 30.569 30.300 -0.025 0.000 1.049 322 R HN 0.599 nan 8.270 nan 0.000 0.508 323 F N -1.847 118.092 119.950 -0.018 0.000 2.703 323 F HA 0.509 5.052 4.527 0.026 0.000 0.308 323 F C -1.200 174.530 175.800 -0.117 0.000 1.126 323 F CA -1.325 56.636 58.000 -0.064 0.000 0.959 323 F CB 1.501 40.461 39.000 -0.066 0.000 1.297 323 F HN 0.311 nan 8.300 nan 0.000 0.441 324 R N 2.940 123.491 120.500 0.086 0.000 2.670 324 R HA 0.851 5.204 4.340 0.022 0.000 0.289 324 R C -2.003 174.312 176.300 0.026 0.000 0.965 324 R CA -0.841 55.231 56.100 -0.047 0.000 0.899 324 R CB 1.945 32.256 30.300 0.017 0.000 1.173 324 R HN 0.938 nan 8.270 nan 0.000 0.456 325 I N 2.735 123.246 120.570 -0.098 0.000 2.586 325 I HA 0.232 4.415 4.170 0.022 0.000 0.288 325 I C -0.976 175.191 176.117 0.083 0.000 1.147 325 I CA -0.532 60.759 61.300 -0.016 0.000 1.047 325 I CB 2.363 40.323 38.000 -0.066 0.000 1.244 325 I HN 0.638 nan 8.210 nan 0.000 0.429 326 E N 4.864 125.206 120.200 0.236 0.000 2.256 326 E HA 0.542 4.905 4.350 0.022 0.000 0.267 326 E C -1.807 174.944 176.600 0.252 0.000 0.892 326 E CA -0.518 56.095 56.400 0.355 0.000 0.775 326 E CB 2.341 32.234 29.700 0.321 0.000 1.207 326 E HN 0.474 nan 8.360 nan 0.000 0.420 327 D N 1.384 121.948 120.400 0.274 0.000 2.886 327 D HA 0.416 5.069 4.640 0.022 0.000 0.216 327 D C -1.431 174.971 176.300 0.170 0.000 1.256 327 D CA -0.267 53.844 54.000 0.186 0.000 0.844 327 D CB 1.838 42.808 40.800 0.283 0.000 1.669 327 D HN 0.527 nan 8.370 nan 0.000 0.513 328 G N 1.257 110.062 108.800 0.007 0.000 2.452 328 G HA2 0.676 4.649 3.960 0.022 0.000 0.324 328 G HA3 0.676 4.649 3.960 0.022 0.000 0.324 328 G C -1.229 173.647 174.900 -0.041 0.000 1.214 328 G CA -0.376 44.781 45.100 0.094 0.000 0.947 328 G HN 0.239 nan 8.290 nan 0.000 0.478 329 F N -0.169 119.957 119.950 0.293 0.000 2.603 329 F HA 0.620 5.159 4.527 0.021 0.000 0.317 329 F C 0.497 176.527 175.800 0.383 0.000 1.066 329 F CA -0.899 57.295 58.000 0.325 0.000 0.941 329 F CB 2.973 42.199 39.000 0.376 0.000 1.291 329 F HN 0.384 nan 8.300 nan 0.000 0.472 330 S N 2.634 118.604 115.700 0.450 0.000 2.080 330 S HA 0.346 4.829 4.470 0.022 0.000 0.162 330 S C 1.050 175.729 174.600 0.131 0.000 1.618 330 S CA -0.472 57.826 58.200 0.163 0.000 1.200 330 S CB -0.428 62.870 63.200 0.163 0.000 1.135 330 S HN 0.677 nan 8.310 nan 0.000 0.455 331 L N 2.045 123.394 121.223 0.210 0.000 2.171 331 L HA -0.237 4.116 4.340 0.022 0.000 0.216 331 L C 2.793 179.751 176.870 0.146 0.000 1.084 331 L CA 1.412 56.407 54.840 0.259 0.000 0.771 331 L CB -0.534 41.725 42.059 0.333 0.000 0.890 331 L HN 0.536 nan 8.230 nan 0.000 0.437 332 K N 0.609 120.945 120.400 -0.108 0.000 2.015 332 K HA -0.308 4.025 4.320 0.022 0.000 0.216 332 K C 2.084 178.492 176.600 -0.320 0.000 1.052 332 K CA 2.442 58.394 56.287 -0.558 0.000 0.937 332 K CB -0.185 31.787 32.500 -0.879 0.000 0.719 332 K HN 0.414 nan 8.250 nan 0.000 0.446 333 E N 0.420 120.522 120.200 -0.162 0.000 2.049 333 E HA -0.291 4.072 4.350 0.022 0.000 0.198 333 E C 2.209 178.807 176.600 -0.002 0.000 1.007 333 E CA 1.809 58.167 56.400 -0.069 0.000 0.809 333 E CB -0.072 29.616 29.700 -0.021 0.000 0.749 333 E HN 0.359 nan 8.360 nan 0.000 0.450 334 Q N 0.142 119.974 119.800 0.054 0.000 2.020 334 Q HA -0.170 4.183 4.340 0.022 0.000 0.202 334 Q C 2.465 178.483 176.000 0.031 0.000 0.982 334 Q CA 1.625 57.449 55.803 0.034 0.000 0.838 334 Q CB -0.142 28.663 28.738 0.111 0.000 0.899 334 Q HN 0.369 nan 8.270 nan 0.000 0.423 335 L N 0.597 121.915 121.223 0.159 0.000 2.010 335 L HA -0.357 3.996 4.340 0.022 0.000 0.219 335 L C 2.694 179.655 176.870 0.150 0.000 1.077 335 L CA 1.960 56.904 54.840 0.174 0.000 0.773 335 L CB -0.584 41.700 42.059 0.376 0.000 0.892 335 L HN 0.396 nan 8.230 nan 0.000 0.436 336 Q N -0.612 119.310 119.800 0.203 0.000 1.956 336 Q HA -0.303 4.050 4.340 0.022 0.000 0.208 336 Q C 1.988 178.020 176.000 0.054 0.000 0.998 336 Q CA 1.936 57.843 55.803 0.173 0.000 0.855 336 Q CB -0.499 28.311 28.738 0.120 0.000 0.928 336 Q HN 0.429 nan 8.270 nan 0.000 0.418 337 D N 0.197 120.598 120.400 0.002 0.000 2.332 337 D HA -0.184 4.469 4.640 0.022 0.000 0.209 337 D C 1.358 177.596 176.300 -0.103 0.000 0.988 337 D CA 1.245 55.222 54.000 -0.038 0.000 0.912 337 D CB 0.011 40.785 40.800 -0.045 0.000 0.899 337 D HN 0.274 nan 8.370 nan 0.000 0.477 338 M N -2.019 117.498 119.600 -0.137 0.000 2.428 338 M HA 0.211 4.704 4.480 0.022 0.000 0.239 338 M C 1.443 177.704 176.300 -0.066 0.000 1.121 338 M CA 0.627 55.837 55.300 -0.150 0.000 1.019 338 M CB 1.116 33.604 32.600 -0.186 0.000 1.485 338 M HN 0.178 nan 8.290 nan 0.000 0.484 339 G N 0.953 109.739 108.800 -0.024 0.000 2.380 339 G HA2 -0.181 3.792 3.960 0.022 0.000 0.197 339 G HA3 -0.181 3.792 3.960 0.022 0.000 0.197 339 G C -0.264 174.640 174.900 0.007 0.000 1.001 339 G CA -0.646 44.448 45.100 -0.010 0.000 0.668 339 G HN 0.288 nan 8.290 nan 0.000 0.483 340 L N 2.403 123.640 121.223 0.024 0.000 2.325 340 L HA 0.698 5.051 4.340 0.022 0.000 0.284 340 L C 1.018 177.962 176.870 0.123 0.000 1.089 340 L CA 0.443 55.311 54.840 0.047 0.000 0.836 340 L CB 1.332 43.434 42.059 0.072 0.000 1.184 340 L HN 0.119 nan 8.230 nan 0.000 0.444 341 V N 2.251 122.203 119.914 0.065 0.000 3.177 341 V HA 0.081 4.214 4.120 0.022 0.000 0.219 341 V C 1.182 177.304 176.094 0.048 0.000 1.344 341 V CA 0.300 62.675 62.300 0.126 0.000 1.324 341 V CB -0.083 31.799 31.823 0.097 0.000 1.165 341 V HN 0.600 nan 8.190 nan 0.000 0.510 342 D N 1.175 121.573 120.400 -0.003 0.000 2.421 342 D HA -0.156 4.497 4.640 0.022 0.000 0.223 342 D C 1.557 177.824 176.300 -0.055 0.000 0.979 342 D CA 0.964 54.950 54.000 -0.023 0.000 0.959 342 D CB 0.051 40.835 40.800 -0.028 0.000 0.874 342 D HN 0.367 nan 8.370 nan 0.000 0.513 343 L N -1.506 119.631 121.223 -0.144 0.000 2.408 343 L HA 0.190 4.543 4.340 0.022 0.000 0.215 343 L C 0.881 177.655 176.870 -0.161 0.000 1.081 343 L CA 0.989 55.690 54.840 -0.231 0.000 0.840 343 L CB -0.012 41.787 42.059 -0.433 0.000 1.002 343 L HN -0.151 nan 8.230 nan 0.000 0.468 344 F N -0.750 119.256 119.950 0.094 0.000 2.765 344 F HA 0.362 4.902 4.527 0.021 0.000 0.302 344 F C 1.243 177.089 175.800 0.075 0.000 1.111 344 F CA -0.277 57.799 58.000 0.127 0.000 1.359 344 F CB -0.516 38.536 39.000 0.087 0.000 1.097 344 F HN 0.005 nan 8.300 nan 0.000 0.577 345 S N 0.583 116.353 115.700 0.116 0.000 2.462 345 S HA 0.319 4.802 4.470 0.022 0.000 0.294 345 S C -1.729 172.682 174.600 -0.316 0.000 1.144 345 S CA -1.576 56.568 58.200 -0.094 0.000 1.088 345 S CB 1.359 64.532 63.200 -0.046 0.000 1.009 345 S HN -0.163 nan 8.310 nan 0.000 0.484 346 P HA -0.080 nan 4.420 nan 0.000 0.217 346 P C 1.108 178.239 177.300 -0.283 0.000 1.151 346 P CA 0.853 63.406 63.100 -0.911 0.000 0.828 346 P CB 0.153 31.276 31.700 -0.962 0.000 0.788 347 E N -0.825 119.257 120.200 -0.197 0.000 2.276 347 E HA -0.001 4.362 4.350 0.022 0.000 0.193 347 E C 1.243 177.806 176.600 -0.061 0.000 0.983 347 E CA 0.683 57.026 56.400 -0.095 0.000 0.861 347 E CB -0.400 29.253 29.700 -0.077 0.000 0.817 347 E HN 0.078 nan 8.360 nan 0.000 0.485 348 K N 0.966 121.327 120.400 -0.066 0.000 2.379 348 K HA 0.158 4.491 4.320 0.022 0.000 0.194 348 K C 1.219 177.803 176.600 -0.026 0.000 1.031 348 K CA 0.406 56.671 56.287 -0.037 0.000 1.037 348 K CB 0.283 32.765 32.500 -0.031 0.000 0.824 348 K HN 0.217 nan 8.250 nan 0.000 0.516 349 S N 0.928 116.617 115.700 -0.018 0.000 2.617 349 S HA 0.425 4.908 4.470 0.022 0.000 0.255 349 S C 0.075 174.671 174.600 -0.006 0.000 1.318 349 S CA 0.728 58.930 58.200 0.004 0.000 0.978 349 S CB 0.494 63.738 63.200 0.073 0.000 0.961 349 S HN 0.546 nan 8.310 nan 0.000 0.582 350 K N 1.767 122.157 120.400 -0.017 0.000 2.370 350 K HA 0.358 4.691 4.320 0.022 0.000 0.315 350 K C -1.155 175.415 176.600 -0.049 0.000 1.589 350 K CA -0.259 56.011 56.287 -0.027 0.000 0.963 350 K CB -1.093 31.393 32.500 -0.023 0.000 1.424 350 K HN 0.617 nan 8.250 nan 0.000 0.467 351 L N 2.639 123.822 121.223 -0.067 0.000 2.719 351 L HA 0.301 4.654 4.340 0.022 0.000 0.236 351 L C -1.340 175.452 176.870 -0.130 0.000 1.221 351 L CA -1.839 52.933 54.840 -0.113 0.000 1.048 351 L CB 1.475 43.443 42.059 -0.151 0.000 1.364 351 L HN 0.409 nan 8.230 nan 0.000 0.447 352 P HA -0.099 nan 4.420 nan 0.000 0.261 352 P C 1.125 178.354 177.300 -0.118 0.000 1.288 352 P CA 0.627 63.676 63.100 -0.086 0.000 0.751 352 P CB 0.156 31.825 31.700 -0.052 0.000 1.103 353 G N -1.131 107.547 108.800 -0.204 0.000 2.921 353 G HA2 0.270 4.243 3.960 0.022 0.000 0.213 353 G HA3 0.270 4.243 3.960 0.022 0.000 0.213 353 G C 0.413 175.093 174.900 -0.367 0.000 1.143 353 G CA 0.121 45.047 45.100 -0.290 0.000 0.764 353 G HN 0.193 nan 8.290 nan 0.000 0.542 361 D N 0.979 121.408 120.400 0.048 0.000 2.859 361 D HA -0.170 4.483 4.640 0.022 0.000 0.215 361 D C -0.424 175.976 176.300 0.168 0.000 1.253 361 D CA 0.525 54.581 54.000 0.094 0.000 0.673 361 D CB -1.198 39.656 40.800 0.090 0.000 0.941 361 D HN 0.511 nan 8.370 nan 0.000 0.394 362 L N 1.702 122.998 121.223 0.122 0.000 2.298 362 L HA 0.620 4.973 4.340 0.022 0.000 0.284 362 L C -0.974 175.970 176.870 0.122 0.000 1.013 362 L CA -0.951 53.934 54.840 0.074 0.000 0.824 362 L CB 0.770 42.818 42.059 -0.020 0.000 1.221 362 L HN 0.275 nan 8.230 nan 0.000 0.418 363 Y N 2.862 123.140 120.300 -0.036 0.000 2.790 363 Y HA 0.830 5.393 4.550 0.022 0.000 0.323 363 Y C -0.989 174.896 175.900 -0.025 0.000 1.230 363 Y CA -1.820 56.258 58.100 -0.037 0.000 1.121 363 Y CB 0.576 39.033 38.460 -0.004 0.000 1.328 363 Y HN 0.154 nan 8.280 nan 0.000 0.514 364 V N 1.687 121.622 119.914 0.036 0.000 2.407 364 V HA 0.207 4.340 4.120 0.022 0.000 0.278 364 V C 0.388 176.552 176.094 0.116 0.000 1.037 364 V CA 0.048 62.353 62.300 0.008 0.000 0.900 364 V CB 0.912 32.784 31.823 0.081 0.000 0.983 364 V HN 1.000 nan 8.190 nan 0.000 0.459 365 S N 2.553 118.187 115.700 -0.111 0.000 2.425 365 S HA 0.052 4.535 4.470 0.022 0.000 0.225 365 S C 0.445 175.033 174.600 -0.019 0.000 1.024 365 S CA 0.663 58.825 58.200 -0.064 0.000 0.951 365 S CB -0.024 63.052 63.200 -0.208 0.000 0.796 365 S HN 0.918 nan 8.310 nan 0.000 0.498 366 D N -1.684 118.690 120.400 -0.042 0.000 2.783 366 D HA 0.448 5.101 4.640 0.022 0.000 0.253 366 D C -1.931 174.230 176.300 -0.231 0.000 1.206 366 D CA -0.276 53.597 54.000 -0.213 0.000 0.740 366 D CB 1.713 42.309 40.800 -0.339 0.000 1.313 366 D HN 0.114 nan 8.370 nan 0.000 0.427 367 A N 1.699 124.298 122.820 -0.368 0.000 2.319 367 A HA 0.728 5.061 4.320 0.022 0.000 0.310 367 A C -1.474 175.922 177.584 -0.313 0.000 1.152 367 A CA -0.443 51.501 52.037 -0.155 0.000 0.783 367 A CB 0.399 19.518 19.000 0.199 0.000 1.184 367 A HN 0.248 nan 8.150 nan 0.000 0.474 368 F N 1.254 121.364 119.950 0.266 0.000 2.507 368 F HA 0.573 5.113 4.527 0.022 0.000 0.325 368 F C 0.125 176.150 175.800 0.375 0.000 1.116 368 F CA -0.241 57.937 58.000 0.297 0.000 0.930 368 F CB 2.180 41.312 39.000 0.221 0.000 1.146 368 F HN 0.754 nan 8.300 nan 0.000 0.447 369 H N 1.889 121.260 119.070 0.502 0.000 2.717 369 H HA 0.649 5.219 4.556 0.022 0.000 0.366 369 H C -1.576 174.028 175.328 0.459 0.000 1.132 369 H CA -1.055 55.238 56.048 0.409 0.000 1.180 369 H CB 1.792 31.732 29.762 0.297 0.000 1.678 369 H HN 0.474 nan 8.280 nan 0.000 0.537 370 K N 3.053 123.306 120.400 -0.245 0.000 2.471 370 K HA 0.783 5.116 4.320 0.022 0.000 0.252 370 K C -1.798 174.675 176.600 -0.211 0.000 0.938 370 K CA -0.424 55.803 56.287 -0.099 0.000 0.796 370 K CB 1.547 34.087 32.500 0.067 0.000 1.161 370 K HN 0.690 nan 8.250 nan 0.000 0.425 371 A N 3.697 126.544 122.820 0.046 0.000 2.350 371 A HA 0.807 5.140 4.320 0.022 0.000 0.324 371 A C -1.744 176.177 177.584 0.560 0.000 1.118 371 A CA -0.601 51.624 52.037 0.313 0.000 0.783 371 A CB 0.551 19.730 19.000 0.299 0.000 1.236 371 A HN 0.626 nan 8.150 nan 0.000 0.457 372 F N 2.297 122.465 119.950 0.363 0.000 2.561 372 F HA 0.714 5.252 4.527 0.018 0.000 0.313 372 F C -1.696 174.090 175.800 -0.024 0.000 1.126 372 F CA -1.214 56.889 58.000 0.171 0.000 0.918 372 F CB 1.947 40.991 39.000 0.073 0.000 1.199 372 F HN 0.507 nan 8.300 nan 0.000 0.444 373 L N 5.459 125.955 121.223 -1.211 0.000 2.470 373 L HA 0.526 4.879 4.340 0.022 0.000 0.268 373 L C -1.613 174.591 176.870 -1.110 0.000 0.964 373 L CA -0.209 53.917 54.840 -1.191 0.000 0.839 373 L CB 2.015 43.248 42.059 -1.377 0.000 1.276 373 L HN 0.724 nan 8.230 nan 0.000 0.403 374 E N 4.022 123.687 120.200 -0.893 0.000 2.216 374 E HA 0.628 4.991 4.350 0.022 0.000 0.260 374 E C -1.830 174.478 176.600 -0.488 0.000 0.880 374 E CA -0.684 55.359 56.400 -0.595 0.000 0.765 374 E CB 1.779 31.262 29.700 -0.362 0.000 1.174 374 E HN 0.467 nan 8.360 nan 0.000 0.417 375 V N 5.157 124.702 119.914 -0.616 0.000 2.370 375 V HA 0.383 4.516 4.120 0.022 0.000 0.283 375 V C -0.068 175.860 176.094 -0.276 0.000 1.023 375 V CA -0.762 61.242 62.300 -0.494 0.000 0.857 375 V CB 0.729 32.078 31.823 -0.790 0.000 0.985 375 V HN 0.766 nan 8.190 nan 0.000 0.443 376 N N 2.850 121.483 118.700 -0.112 0.000 3.201 376 N HA 0.392 5.145 4.740 0.022 0.000 0.344 376 N C 0.425 176.020 175.510 0.142 0.000 1.465 376 N CA -0.912 52.126 53.050 -0.021 0.000 0.731 376 N CB 0.806 39.277 38.487 -0.026 0.000 1.677 376 N HN 0.258 nan 8.380 nan 0.000 0.631 377 E N -0.754 119.530 120.200 0.140 0.000 2.338 377 E HA -0.029 4.334 4.350 0.022 0.000 0.197 377 E C 0.588 177.476 176.600 0.481 0.000 1.007 377 E CA 0.897 57.474 56.400 0.296 0.000 0.849 377 E CB 0.015 29.838 29.700 0.205 0.000 0.774 377 E HN 0.481 nan 8.360 nan 0.000 0.506 378 E N -1.125 119.248 120.200 0.288 0.000 2.290 378 E HA 0.216 4.579 4.350 0.022 0.000 0.197 378 E C 1.160 177.759 176.600 -0.002 0.000 0.948 378 E CA 0.810 57.340 56.400 0.217 0.000 0.895 378 E CB 1.072 30.824 29.700 0.087 0.000 0.865 378 E HN 0.219 nan 8.360 nan 0.000 0.486 379 G N 0.443 109.062 108.800 -0.302 0.000 2.174 379 G HA2 -0.144 3.829 3.960 0.022 0.000 0.070 379 G HA3 -0.144 3.829 3.960 0.022 0.000 0.070 379 G C 0.691 175.323 174.900 -0.446 0.000 1.120 379 G CA 0.141 44.716 45.100 -0.875 0.000 1.194 379 G HN 0.068 nan 8.290 nan 0.000 0.435 380 S N 0.735 116.246 115.700 -0.315 0.000 2.460 380 S HA 0.269 4.752 4.470 0.022 0.000 0.226 380 S C 0.933 175.396 174.600 -0.228 0.000 1.057 380 S CA 0.906 58.935 58.200 -0.284 0.000 0.948 380 S CB -0.110 62.858 63.200 -0.387 0.000 0.822 380 S HN 0.543 nan 8.310 nan 0.000 0.512 381 E N 1.406 121.478 120.200 -0.213 0.000 2.428 381 E HA 0.395 4.758 4.350 0.022 0.000 0.257 381 E C 0.243 176.792 176.600 -0.085 0.000 1.197 381 E CA -0.231 56.086 56.400 -0.139 0.000 0.974 381 E CB 0.253 29.877 29.700 -0.128 0.000 0.976 381 E HN 0.388 nan 8.360 nan 0.000 0.463 382 A N 0.988 123.777 122.820 -0.051 0.000 2.613 382 A HA 0.165 4.498 4.320 0.022 0.000 0.230 382 A C 0.569 178.141 177.584 -0.020 0.000 1.051 382 A CA 0.661 52.682 52.037 -0.027 0.000 0.754 382 A CB -0.150 18.840 19.000 -0.017 0.000 0.979 382 A HN 0.657 nan 8.150 nan 0.000 0.510 383 A N 1.407 124.222 122.820 -0.008 0.000 2.227 383 A HA 0.647 4.980 4.320 0.022 0.000 0.279 383 A C 0.958 178.553 177.584 0.017 0.000 1.367 383 A CA 1.211 53.252 52.037 0.007 0.000 0.824 383 A CB -0.290 18.716 19.000 0.010 0.000 1.214 383 A HN 2.797 nan 8.150 nan 0.000 0.514 384 A N -4.232 118.606 122.820 0.029 0.000 5.813 384 A HA 0.588 4.921 4.320 0.022 0.000 0.186 384 A C 0.163 177.770 177.584 0.039 0.000 0.898 384 A CA 0.507 52.563 52.037 0.032 0.000 0.822 384 A CB -0.577 18.446 19.000 0.038 0.000 2.156 384 A HN 1.327 nan 8.150 nan 0.000 1.053 385 S N -0.211 115.516 115.700 0.044 0.000 2.874 385 S HA 0.177 4.660 4.470 0.022 0.000 0.257 385 S C -0.294 174.338 174.600 0.052 0.000 0.975 385 S CA 0.468 58.696 58.200 0.046 0.000 1.326 385 S CB 0.491 63.712 63.200 0.035 0.000 1.215 385 S HN 0.843 nan 8.310 nan 0.000 0.679 386 T N 3.954 118.543 114.554 0.058 0.000 2.642 386 T HA 0.237 4.600 4.350 0.022 0.000 0.258 386 T C 0.537 175.277 174.700 0.068 0.000 1.022 386 T CA 0.466 62.602 62.100 0.060 0.000 1.266 386 T CB -0.233 68.676 68.868 0.068 0.000 0.987 386 T HN 0.455 nan 8.240 nan 0.000 0.518 387 A N 4.042 126.895 122.820 0.055 0.000 2.287 387 A HA 0.640 4.972 4.320 0.022 0.000 0.273 387 A C 0.105 177.720 177.584 0.051 0.000 1.091 387 A CA -0.623 51.448 52.037 0.057 0.000 0.817 387 A CB 0.705 19.732 19.000 0.046 0.000 1.069 387 A HN 0.621 nan 8.150 nan 0.000 0.492 388 V N 1.046 120.991 119.914 0.052 0.000 2.495 388 V HA 0.494 4.627 4.120 0.022 0.000 0.298 388 V C -0.649 175.463 176.094 0.030 0.000 1.031 388 V CA -0.410 61.913 62.300 0.037 0.000 0.871 388 V CB 1.640 33.484 31.823 0.035 0.000 0.988 388 V HN 0.616 nan 8.190 nan 0.000 0.432 389 V N 6.222 126.147 119.914 0.018 0.000 2.409 389 V HA 0.517 4.650 4.120 0.022 0.000 0.290 389 V C -0.440 175.656 176.094 0.005 0.000 1.017 389 V CA -0.268 62.041 62.300 0.015 0.000 0.841 389 V CB 1.557 33.388 31.823 0.013 0.000 1.003 389 V HN 0.716 nan 8.190 nan 0.000 0.426 390 I N 4.552 125.124 120.570 0.004 0.000 2.428 390 I HA 0.683 4.866 4.170 0.022 0.000 0.279 390 I C 0.448 176.563 176.117 -0.003 0.000 1.040 390 I CA -0.351 60.946 61.300 -0.006 0.000 1.171 390 I CB 1.469 39.461 38.000 -0.014 0.000 1.312 390 I HN 0.643 nan 8.210 nan 0.000 0.470 391 A N 3.969 126.786 122.820 -0.005 0.000 2.312 391 A HA 0.751 5.084 4.320 0.022 0.000 0.328 391 A C 0.932 178.512 177.584 -0.008 0.000 1.158 391 A CA 0.073 52.108 52.037 -0.003 0.000 0.821 391 A CB 0.923 19.922 19.000 -0.001 0.000 1.170 391 A HN 1.102 nan 8.150 nan 0.000 0.490 392 G N 0.488 109.284 108.800 -0.006 0.000 2.212 392 G HA2 -0.181 3.792 3.960 0.022 0.000 0.255 392 G HA3 -0.181 3.792 3.960 0.022 0.000 0.255 392 G C 0.065 174.957 174.900 -0.013 0.000 1.062 392 G CA 0.613 45.708 45.100 -0.009 0.000 0.815 392 G HN 1.096 nan 8.290 nan 0.000 0.497 393 R N -0.564 119.929 120.500 -0.012 0.000 2.575 393 R HA 0.676 5.029 4.340 0.022 0.000 0.293 393 R C -1.153 175.140 176.300 -0.010 0.000 0.983 393 R CA -0.244 55.846 56.100 -0.016 0.000 0.887 393 R CB 1.710 31.996 30.300 -0.023 0.000 1.184 393 R HN 0.286 nan 8.270 nan 0.000 0.445 394 S N 5.530 121.223 115.700 -0.013 0.000 2.779 394 S HA 0.448 4.931 4.470 0.022 0.000 0.293 394 S C -0.900 173.693 174.600 -0.012 0.000 1.150 394 S CA -0.684 57.511 58.200 -0.008 0.000 1.057 394 S CB 0.616 63.813 63.200 -0.006 0.000 1.021 394 S HN 0.524 nan 8.310 nan 0.000 0.485 395 L N 3.509 124.727 121.223 -0.009 0.000 2.344 395 L HA 0.531 4.884 4.340 0.022 0.000 0.272 395 L C 0.879 177.743 176.870 -0.009 0.000 1.035 395 L CA -1.161 53.670 54.840 -0.015 0.000 0.807 395 L CB 0.761 42.809 42.059 -0.018 0.000 1.237 395 L HN 0.597 nan 8.230 nan 0.000 0.442 396 N N 3.171 121.863 118.700 -0.014 0.000 2.293 396 N HA -0.039 4.714 4.740 0.022 0.000 0.253 396 N C -1.610 173.898 175.510 -0.004 0.000 1.248 396 N CA -0.743 52.300 53.050 -0.011 0.000 0.845 396 N CB 1.181 39.658 38.487 -0.016 0.000 1.073 396 N HN 0.403 nan 8.380 nan 0.000 0.464 397 P HA -0.065 nan 4.420 nan 0.000 0.219 397 P C -0.419 176.883 177.300 0.005 0.000 1.150 397 P CA 0.950 64.053 63.100 0.006 0.000 0.814 397 P CB 0.319 32.021 31.700 0.005 0.000 0.787 398 N N 1.665 120.364 118.700 -0.002 0.000 2.678 398 N HA 0.156 4.909 4.740 0.022 0.000 0.231 398 N C 0.230 175.732 175.510 -0.013 0.000 1.038 398 N CA -0.079 52.968 53.050 -0.005 0.000 0.932 398 N CB 0.692 39.176 38.487 -0.006 0.000 1.176 398 N HN 0.382 nan 8.380 nan 0.000 0.511 399 R N -1.052 119.439 120.500 -0.016 0.000 2.774 399 R HA 0.564 4.917 4.340 0.022 0.000 0.272 399 R C -0.635 175.635 176.300 -0.051 0.000 1.000 399 R CA -0.852 55.225 56.100 -0.038 0.000 0.906 399 R CB 0.513 30.790 30.300 -0.039 0.000 1.227 399 R HN -0.175 nan 8.270 nan 0.000 0.468 400 V N 0.650 120.500 119.914 -0.106 0.000 3.178 400 V HA 0.146 4.279 4.120 0.022 0.000 0.306 400 V C 0.335 176.372 176.094 -0.095 0.000 1.107 400 V CA 0.502 62.710 62.300 -0.154 0.000 1.195 400 V CB 1.145 32.722 31.823 -0.410 0.000 0.993 400 V HN 0.856 nan 8.190 nan 0.000 0.493 401 T N 3.714 118.249 114.554 -0.030 0.000 3.011 401 T HA 0.487 4.850 4.350 0.022 0.000 0.303 401 T C -1.408 173.381 174.700 0.148 0.000 0.997 401 T CA -0.408 61.733 62.100 0.069 0.000 1.007 401 T CB 0.553 69.470 68.868 0.082 0.000 1.017 401 T HN 0.481 nan 8.240 nan 0.000 0.443 402 F N 5.590 125.560 119.950 0.033 0.000 2.366 402 F HA 0.626 5.165 4.527 0.019 0.000 0.366 402 F C -0.258 175.588 175.800 0.078 0.000 1.096 402 F CA -0.817 57.217 58.000 0.058 0.000 1.060 402 F CB 0.745 39.777 39.000 0.053 0.000 1.282 402 F HN 0.485 nan 8.300 nan 0.000 0.450 403 K N 5.014 125.350 120.400 -0.107 0.000 2.425 403 K HA 0.704 5.037 4.320 0.022 0.000 0.259 403 K C -0.825 175.613 176.600 -0.271 0.000 0.978 403 K CA -0.629 55.617 56.287 -0.068 0.000 0.883 403 K CB 1.311 33.691 32.500 -0.200 0.000 1.110 403 K HN 0.637 nan 8.250 nan 0.000 0.436 404 A N 4.630 127.337 122.820 -0.187 0.000 3.094 404 A HA 0.124 4.456 4.320 0.022 0.000 0.288 404 A C -0.159 177.379 177.584 -0.077 0.000 1.519 404 A CA -0.659 51.229 52.037 -0.248 0.000 1.227 404 A CB -0.555 18.208 19.000 -0.396 0.000 1.175 404 A HN 0.844 nan 8.150 nan 0.000 0.568 405 N N 1.016 119.587 118.700 -0.214 0.000 2.279 405 N HA 0.093 4.846 4.740 0.022 0.000 0.226 405 N C 0.032 174.901 175.510 -1.068 0.000 1.126 405 N CA -0.305 52.501 53.050 -0.408 0.000 0.846 405 N CB -0.088 38.242 38.487 -0.261 0.000 1.050 405 N HN 0.739 nan 8.380 nan 0.000 0.502 406 R N -2.329 117.604 120.500 -0.944 0.000 2.764 406 R HA 0.593 4.946 4.340 0.022 0.000 0.270 406 R C -3.335 172.912 176.300 -0.088 0.000 1.014 406 R CA -1.902 53.704 56.100 -0.822 0.000 0.904 406 R CB 0.071 30.211 30.300 -0.265 0.000 1.236 406 R HN -0.208 nan 8.270 nan 0.000 0.466 407 P HA -0.024 nan 4.420 nan 0.000 0.262 407 P C -1.238 176.244 177.300 0.302 0.000 1.182 407 P CA 0.387 63.686 63.100 0.332 0.000 0.761 407 P CB 0.117 31.934 31.700 0.194 0.000 0.795 408 F N 1.074 121.110 119.950 0.143 0.000 2.664 408 F HA 0.644 5.183 4.527 0.019 0.000 0.317 408 F C -1.319 174.554 175.800 0.122 0.000 1.108 408 F CA -1.589 56.489 58.000 0.130 0.000 0.957 408 F CB 0.624 39.717 39.000 0.154 0.000 1.365 408 F HN -0.034 nan 8.300 nan 0.000 0.475 409 L N 1.526 122.930 121.223 0.300 0.000 2.431 409 L HA 0.841 5.194 4.340 0.022 0.000 0.260 409 L C -0.659 176.381 176.870 0.283 0.000 1.098 409 L CA -1.296 53.635 54.840 0.151 0.000 0.800 409 L CB 1.705 43.908 42.059 0.239 0.000 1.210 409 L HN 0.568 nan 8.230 nan 0.000 0.465 410 V N 0.249 120.182 119.914 0.032 0.000 2.925 410 V HA 0.558 4.691 4.120 0.022 0.000 0.311 410 V C -1.137 174.947 176.094 -0.016 0.000 1.104 410 V CA -0.678 61.767 62.300 0.241 0.000 0.954 410 V CB 2.146 34.132 31.823 0.273 0.000 1.022 410 V HN 0.423 nan 8.190 nan 0.000 0.427 411 F N 3.062 123.192 119.950 0.299 0.000 2.619 411 F HA 0.665 5.205 4.527 0.021 0.000 0.308 411 F C -0.635 175.341 175.800 0.294 0.000 1.097 411 F CA -0.730 57.420 58.000 0.249 0.000 0.953 411 F CB 2.157 41.256 39.000 0.165 0.000 1.287 411 F HN 0.154 nan 8.300 nan 0.000 0.446 412 I N 3.652 124.497 120.570 0.458 0.000 2.495 412 I HA 0.368 4.550 4.170 0.022 0.000 0.277 412 I C -0.518 175.721 176.117 0.204 0.000 1.045 412 I CA -0.491 61.004 61.300 0.326 0.000 1.135 412 I CB 1.245 39.425 38.000 0.300 0.000 1.241 412 I HN 0.668 nan 8.210 nan 0.000 0.469 413 R N 3.127 123.738 120.500 0.185 0.000 2.787 413 R HA 0.656 5.009 4.340 0.022 0.000 0.271 413 R C -0.360 175.979 176.300 0.066 0.000 0.993 413 R CA -0.768 55.397 56.100 0.107 0.000 0.993 413 R CB 2.185 32.550 30.300 0.109 0.000 1.155 413 R HN 0.222 nan 8.270 nan 0.000 0.486 414 E N 2.378 122.596 120.200 0.031 0.000 2.055 414 E HA 0.113 4.476 4.350 0.022 0.000 0.274 414 E C 0.581 177.208 176.600 0.044 0.000 0.949 414 E CA -0.451 55.965 56.400 0.026 0.000 0.775 414 E CB 1.697 31.387 29.700 -0.017 0.000 1.097 414 E HN 0.586 nan 8.360 nan 0.000 0.404 415 V N 6.896 126.850 119.914 0.066 0.000 2.223 415 V HA -0.168 3.965 4.120 0.022 0.000 0.244 415 V C -0.898 175.232 176.094 0.060 0.000 1.045 415 V CA 1.661 64.001 62.300 0.067 0.000 1.000 415 V CB -1.328 30.541 31.823 0.075 0.000 0.635 415 V HN 0.548 nan 8.190 nan 0.000 0.445 416 P HA -0.134 nan 4.420 nan 0.000 0.218 416 P C 1.318 178.647 177.300 0.048 0.000 1.146 416 P CA 1.452 64.578 63.100 0.043 0.000 0.813 416 P CB -0.075 31.645 31.700 0.034 0.000 0.778 417 L N -2.636 118.611 121.223 0.039 0.000 2.667 417 L HA 0.240 4.593 4.340 0.022 0.000 0.232 417 L C 0.416 177.312 176.870 0.044 0.000 1.138 417 L CA -0.273 54.586 54.840 0.031 0.000 0.921 417 L CB -1.002 41.050 42.059 -0.012 0.000 1.180 417 L HN -0.056 nan 8.230 nan 0.000 0.487 418 N N 1.311 120.052 118.700 0.069 0.000 2.689 418 N HA -0.189 4.564 4.740 0.022 0.000 0.263 418 N C -0.594 174.918 175.510 0.004 0.000 0.987 418 N CA 0.788 53.877 53.050 0.065 0.000 0.782 418 N CB -0.608 37.965 38.487 0.143 0.000 0.903 418 N HN 0.209 nan 8.380 nan 0.000 0.547 419 T N 1.548 116.103 114.554 0.002 0.000 2.824 419 T HA 0.487 4.850 4.350 0.022 0.000 0.282 419 T C 0.430 175.137 174.700 0.012 0.000 0.993 419 T CA -0.555 61.537 62.100 -0.013 0.000 0.967 419 T CB 0.851 69.699 68.868 -0.034 0.000 0.960 419 T HN 0.185 nan 8.240 nan 0.000 0.441 420 I N 4.587 125.175 120.570 0.029 0.000 2.322 420 I HA 0.247 4.430 4.170 0.022 0.000 0.292 420 I C 1.160 177.288 176.117 0.018 0.000 1.060 420 I CA -0.103 61.248 61.300 0.084 0.000 1.309 420 I CB 0.584 38.673 38.000 0.149 0.000 1.415 420 I HN 0.683 nan 8.210 nan 0.000 0.492 421 I N 5.107 125.666 120.570 -0.018 0.000 2.315 421 I HA 0.007 4.190 4.170 0.022 0.000 0.233 421 I C 0.281 176.193 176.117 -0.341 0.000 1.067 421 I CA 1.027 62.199 61.300 -0.213 0.000 1.376 421 I CB 0.026 37.890 38.000 -0.226 0.000 1.143 421 I HN 0.264 nan 8.210 nan 0.000 0.421 422 F N 0.652 120.623 119.950 0.035 0.000 2.541 422 F HA 0.587 5.129 4.527 0.025 0.000 0.331 422 F C 0.058 175.829 175.800 -0.048 0.000 1.057 422 F CA -0.822 57.136 58.000 -0.070 0.000 0.975 422 F CB 1.552 40.541 39.000 -0.017 0.000 1.246 422 F HN -0.067 nan 8.300 nan 0.000 0.484 423 M N 0.763 120.357 119.600 -0.010 0.000 2.465 423 M HA 0.907 5.400 4.480 0.022 0.000 0.284 423 M C -1.154 175.065 176.300 -0.136 0.000 1.212 423 M CA -0.373 54.769 55.300 -0.263 0.000 0.910 423 M CB 2.422 34.731 32.600 -0.485 0.000 1.725 423 M HN 0.709 nan 8.290 nan 0.000 0.477 424 G N 1.412 110.130 108.800 -0.137 0.000 2.634 424 G HA2 0.689 4.662 3.960 0.022 0.000 0.309 424 G HA3 0.689 4.662 3.960 0.022 0.000 0.309 424 G C -2.284 172.608 174.900 -0.012 0.000 1.299 424 G CA -0.978 44.216 45.100 0.157 0.000 0.798 424 G HN 0.891 nan 8.290 nan 0.000 0.490 425 R N -0.354 120.169 120.500 0.038 0.000 2.533 425 R HA 0.543 4.896 4.340 0.022 0.000 0.288 425 R C -1.786 174.332 176.300 -0.303 0.000 1.039 425 R CA -0.473 55.564 56.100 -0.105 0.000 0.909 425 R CB 2.216 32.550 30.300 0.056 0.000 1.195 425 R HN 0.345 nan 8.270 nan 0.000 0.438 426 V N 4.610 124.121 119.914 -0.672 0.000 2.277 426 V HA 0.327 4.460 4.120 0.022 0.000 0.269 426 V C 0.680 176.437 176.094 -0.562 0.000 1.036 426 V CA 0.059 61.846 62.300 -0.857 0.000 0.821 426 V CB 0.924 31.791 31.823 -1.593 0.000 1.052 426 V HN 0.938 nan 8.190 nan 0.000 0.462 427 A N 3.960 126.596 122.820 -0.307 0.000 2.303 427 A HA 0.292 4.625 4.320 0.022 0.000 0.217 427 A C 0.849 178.329 177.584 -0.174 0.000 1.205 427 A CA 0.136 52.111 52.037 -0.102 0.000 0.875 427 A CB 0.110 19.089 19.000 -0.035 0.000 0.910 427 A HN 0.638 nan 8.150 nan 0.000 0.501 428 N N -0.117 118.354 118.700 -0.382 0.000 2.793 428 N HA 0.117 4.870 4.740 0.022 0.000 0.251 428 N C -2.845 172.400 175.510 -0.443 0.000 1.308 428 N CA -0.713 52.078 53.050 -0.432 0.000 0.781 428 N CB 1.679 40.050 38.487 -0.194 0.000 1.439 428 N HN -0.031 nan 8.380 nan 0.000 0.562 429 P HA 0.115 nan 4.420 nan 0.000 0.226 429 P C 0.826 178.022 177.300 -0.172 0.000 1.161 429 P CA 0.230 63.135 63.100 -0.326 0.000 0.804 429 P CB 0.274 31.775 31.700 -0.331 0.000 0.829 430 c N 0.355 118.827 118.600 -0.213 0.000 2.924 430 c HA 0.128 4.711 4.570 0.022 0.000 0.355 430 c C 1.377 175.434 174.090 -0.055 0.000 1.330 430 c CA -0.015 56.258 56.329 -0.094 0.000 2.007 430 c CB -0.489 41.975 42.510 -0.077 0.000 2.504 430 c HN 0.067 nan 8.230 nan 0.000 0.751 431 V N 0.000 119.898 119.914 -0.027 0.000 2.409 431 V HA 0.000 4.133 4.120 0.022 0.000 0.244 431 V CA 0.000 62.292 62.300 -0.014 0.000 1.235 431 V CB 0.000 31.821 31.823 -0.003 0.000 1.184 431 V HN 0.000 nan 8.190 nan 0.000 0.556