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 1t67_1_A DATA FIRST_RESID 14 DATA SEQUENCE LVPVYIYSPE YVSMCDSLAK IPKRASMVHS LIEAYALHKQ MRIVKPKVAS DATA SEQUENCE MEEMATFHTD AYLQHLQKVS QXXXXXXXDS IEYGLGYDCP ATEGIFDYAA DATA SEQUENCE AIGGATITAA QCLIDGMCKV AINWSGGWHH AKKDEASGFC YLNDAVLGIL DATA SEQUENCE RLRRKFERIL YVDLDLHHGD GVEDAFSFTS KVMTVSLHKF SPGFFPGTGD DATA SEQUENCE VSDVGLGKGR YYSVNVPIQD GIQDEKYYQI CESVLKEVYQ AFNPKAVVLQ DATA SEQUENCE LGADTIAGDP MCSFNMTPVG IGKCLKYILQ WQLATLILGG GGYNLANTAR DATA SEQUENCE CWTYLTGVIL GKTLSSEIPD HEFFTAYGPD YVLEITPSCR PDRNEPHRIQ DATA SEQUENCE QILNYIKGNL KHVV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 14 L HA 0.000 nan 4.340 nan 0.000 0.249 14 L C 0.000 176.875 176.870 0.008 0.000 1.165 14 L CA 0.000 54.847 54.840 0.012 0.000 0.813 14 L CB 0.000 42.065 42.059 0.009 0.000 0.961 15 V N 1.916 121.836 119.914 0.010 0.000 2.732 15 V HA 0.591 4.712 4.120 0.001 0.000 0.297 15 V C -1.786 174.316 176.094 0.014 0.000 1.060 15 V CA -1.349 60.956 62.300 0.008 0.000 1.038 15 V CB 2.013 33.842 31.823 0.010 0.000 1.003 15 V HN 0.489 nan 8.190 nan 0.000 0.481 16 P HA 0.121 nan 4.420 nan 0.000 0.269 16 P C -0.777 176.548 177.300 0.042 0.000 1.209 16 P CA 0.002 63.108 63.100 0.010 0.000 0.776 16 P CB 0.428 32.125 31.700 -0.006 0.000 0.876 17 V N 3.787 123.725 119.914 0.041 0.000 2.509 17 V HA 0.159 4.279 4.120 0.001 0.000 0.284 17 V C -0.404 175.769 176.094 0.132 0.000 1.047 17 V CA -0.237 62.107 62.300 0.073 0.000 0.952 17 V CB 0.397 32.240 31.823 0.033 0.000 0.988 17 V HN 0.455 nan 8.190 nan 0.000 0.469 18 Y N 5.635 125.952 120.300 0.029 0.000 2.388 18 Y HA 0.482 5.033 4.550 0.001 0.000 0.328 18 Y C -0.045 175.913 175.900 0.096 0.000 0.963 18 Y CA -1.271 56.866 58.100 0.063 0.000 1.240 18 Y CB 0.873 39.416 38.460 0.140 0.000 1.118 18 Y HN 0.418 nan 8.280 nan 0.000 0.484 19 I N 7.427 127.899 120.570 -0.164 0.000 2.517 19 I HA 0.048 4.218 4.170 0.001 0.000 0.285 19 I C -0.653 175.279 176.117 -0.308 0.000 1.106 19 I CA 0.159 61.328 61.300 -0.219 0.000 1.402 19 I CB -0.412 37.457 38.000 -0.218 0.000 1.399 19 I HN 0.670 nan 8.210 nan 0.000 0.535 20 Y N 5.787 125.875 120.300 -0.354 0.000 2.393 20 Y HA 0.442 4.993 4.550 0.001 0.000 0.320 20 Y C -1.019 174.808 175.900 -0.123 0.000 1.241 20 Y CA -1.040 56.884 58.100 -0.294 0.000 1.122 20 Y CB 1.098 39.192 38.460 -0.611 0.000 1.322 20 Y HN 0.666 nan 8.280 nan 0.000 0.441 21 S N 4.653 119.740 115.700 -1.022 0.000 2.596 21 S HA 0.615 5.086 4.470 0.001 0.000 0.270 21 S C -3.021 171.047 174.600 -0.886 0.000 1.155 21 S CA -1.392 56.169 58.200 -1.065 0.000 0.827 21 S CB 2.618 65.579 63.200 -0.398 0.000 1.130 21 S HN 0.298 nan 8.310 nan 0.000 0.467 22 P HA 0.045 nan 4.420 nan 0.000 0.217 22 P C 0.975 178.235 177.300 -0.066 0.000 1.151 22 P CA 1.120 64.132 63.100 -0.146 0.000 0.828 22 P CB 0.028 31.715 31.700 -0.021 0.000 0.788 23 E N -1.421 118.735 120.200 -0.072 0.000 2.058 23 E HA -0.225 4.125 4.350 0.001 0.000 0.194 23 E C 1.996 178.609 176.600 0.022 0.000 0.997 23 E CA 1.210 57.601 56.400 -0.015 0.000 0.801 23 E CB -0.876 28.814 29.700 -0.017 0.000 0.746 23 E HN 0.346 nan 8.360 nan 0.000 0.450 24 Y N 0.340 120.556 120.300 -0.139 0.000 2.133 24 Y HA -0.240 4.310 4.550 0.000 0.000 0.287 24 Y C 2.206 178.087 175.900 -0.033 0.000 1.134 24 Y CA 1.029 59.064 58.100 -0.109 0.000 1.133 24 Y CB -0.101 38.264 38.460 -0.158 0.000 0.987 24 Y HN -0.143 nan 8.280 nan 0.000 0.502 25 V N -0.544 119.288 119.914 -0.136 0.000 2.332 25 V HA -0.326 3.794 4.120 0.001 0.000 0.248 25 V C 2.609 178.686 176.094 -0.028 0.000 1.055 25 V CA 2.122 64.373 62.300 -0.081 0.000 1.038 25 V CB -0.869 31.042 31.823 0.148 0.000 0.651 25 V HN 0.511 nan 8.190 nan 0.000 0.450 26 S N -0.913 114.794 115.700 0.010 0.000 2.359 26 S HA -0.280 4.190 4.470 0.001 0.000 0.224 26 S C 1.993 176.609 174.600 0.026 0.000 1.035 26 S CA 2.314 60.537 58.200 0.038 0.000 1.018 26 S CB -0.316 62.910 63.200 0.042 0.000 0.876 26 S HN 0.464 nan 8.310 nan 0.000 0.448 27 M N 1.422 121.020 119.600 -0.002 0.000 2.080 27 M HA -0.071 4.410 4.480 0.001 0.000 0.260 27 M C 2.197 178.538 176.300 0.068 0.000 1.068 27 M CA 1.779 57.095 55.300 0.027 0.000 1.109 27 M CB -1.419 31.183 32.600 0.003 0.000 1.342 27 M HN 0.502 nan 8.290 nan 0.000 0.405 28 C N 0.443 119.694 119.300 -0.081 0.000 2.435 28 C HA -0.079 4.381 4.460 0.001 0.000 0.279 28 C C 2.090 177.155 174.990 0.125 0.000 1.321 28 C CA 0.705 59.727 59.018 0.007 0.000 1.752 28 C CB -1.450 26.161 27.740 -0.215 0.000 1.959 28 C HN 0.526 nan 8.230 nan 0.000 0.500 29 D N 1.393 121.837 120.400 0.073 0.000 2.311 29 D HA -0.088 4.552 4.640 0.001 0.000 0.212 29 D C 2.148 178.489 176.300 0.069 0.000 0.972 29 D CA 1.628 55.676 54.000 0.081 0.000 0.887 29 D CB -0.244 40.606 40.800 0.083 0.000 0.915 29 D HN 0.665 nan 8.370 nan 0.000 0.497 30 S N -0.447 115.303 115.700 0.085 0.000 2.558 30 S HA 0.017 4.487 4.470 0.001 0.000 0.217 30 S C 0.975 175.546 174.600 -0.047 0.000 0.975 30 S CA -0.460 57.761 58.200 0.035 0.000 0.912 30 S CB -0.182 63.047 63.200 0.049 0.000 0.776 30 S HN 0.166 nan 8.310 nan 0.000 0.526 31 L N 2.282 123.474 121.223 -0.051 0.000 2.615 31 L HA 0.264 4.604 4.340 0.001 0.000 0.271 31 L C 1.495 178.255 176.870 -0.183 0.000 1.183 31 L CA 0.057 54.757 54.840 -0.234 0.000 0.933 31 L CB 0.280 42.242 42.059 -0.162 0.000 1.199 31 L HN 0.295 nan 8.230 nan 0.000 0.487 32 A N 4.991 127.677 122.820 -0.223 0.000 1.948 32 A HA -0.177 4.143 4.320 0.001 0.000 0.220 32 A C 2.082 179.525 177.584 -0.234 0.000 1.177 32 A CA 1.472 53.395 52.037 -0.191 0.000 0.636 32 A CB -0.320 nan 19.000 nan 0.000 0.815 32 A HN 0.787 nan 8.150 nan 0.000 0.449 33 K N -0.343 119.831 120.400 -0.376 0.000 2.148 33 K HA -0.034 4.286 4.320 0.001 0.000 0.204 33 K C 0.903 177.395 176.600 -0.180 0.000 1.050 33 K CA 1.347 57.353 56.287 -0.469 0.000 0.942 33 K CB -0.449 31.431 32.500 -1.035 0.000 0.724 33 K HN 0.822 nan 8.250 nan 0.000 0.446 34 I N -1.176 119.349 120.570 -0.076 0.000 2.931 34 I HA 0.265 4.435 4.170 0.001 0.000 0.322 34 I C -2.713 173.420 176.117 0.028 0.000 1.446 34 I CA -2.141 59.190 61.300 0.052 0.000 0.825 34 I CB 1.374 39.489 38.000 0.191 0.000 2.195 34 I HN -0.281 nan 8.210 nan 0.000 0.608 35 P HA 0.021 nan 4.420 nan 0.000 0.266 35 P C 0.032 177.335 177.300 0.004 0.000 1.195 35 P CA 0.393 63.495 63.100 0.003 0.000 0.768 35 P CB 0.945 32.641 31.700 -0.005 0.000 0.838 36 K N 0.114 120.527 120.400 0.021 0.000 3.529 36 K HA -0.225 4.095 4.320 0.001 0.000 0.313 36 K C 1.525 178.071 176.600 -0.090 0.000 1.316 36 K CA 1.426 57.708 56.287 -0.007 0.000 0.988 36 K CB -1.672 30.819 32.500 -0.015 0.000 1.252 36 K HN 0.444 nan 8.250 nan 0.000 0.438 37 R N 0.330 120.816 120.500 -0.023 0.000 2.075 37 R HA -0.007 4.334 4.340 0.001 0.000 0.232 37 R C 2.074 178.411 176.300 0.061 0.000 1.126 37 R CA 1.576 57.666 56.100 -0.016 0.000 0.963 37 R CB -0.197 30.132 30.300 0.049 0.000 0.858 37 R HN 0.329 nan 8.270 nan 0.000 0.435 38 A N 0.056 122.955 122.820 0.132 0.000 1.908 38 A HA -0.151 4.169 4.320 0.001 0.000 0.218 38 A C 2.215 179.928 177.584 0.213 0.000 1.181 38 A CA 1.907 54.059 52.037 0.191 0.000 0.627 38 A CB -0.610 18.462 19.000 0.120 0.000 0.818 38 A HN 0.385 nan 8.150 nan 0.000 0.445 39 S N -0.604 115.196 115.700 0.166 0.000 2.359 39 S HA -0.177 4.294 4.470 0.001 0.000 0.224 39 S C 2.056 176.776 174.600 0.200 0.000 1.035 39 S CA 1.885 60.244 58.200 0.266 0.000 1.018 39 S CB -0.397 62.998 63.200 0.325 0.000 0.876 39 S HN 0.595 nan 8.310 nan 0.000 0.448 40 M N 0.330 119.821 119.600 -0.182 0.000 2.117 40 M HA -0.083 4.397 4.480 0.001 0.000 0.262 40 M C 2.114 178.479 176.300 0.107 0.000 1.065 40 M CA 1.116 56.275 55.300 -0.234 0.000 1.114 40 M CB -0.574 31.760 32.600 -0.444 0.000 1.361 40 M HN 0.160 nan 8.290 nan 0.000 0.408 41 V N -0.403 119.585 119.914 0.124 0.000 2.261 41 V HA -0.293 3.828 4.120 0.001 0.000 0.246 41 V C 2.346 178.584 176.094 0.240 0.000 1.047 41 V CA 2.431 64.840 62.300 0.181 0.000 1.015 41 V CB -0.962 31.032 31.823 0.285 0.000 0.642 41 V HN 0.488 nan 8.190 nan 0.000 0.446 42 H N -0.136 119.069 119.070 0.226 0.000 2.353 42 H HA -0.134 4.422 4.556 0.001 0.000 0.300 42 H C 2.518 177.906 175.328 0.101 0.000 1.090 42 H CA 2.003 58.170 56.048 0.199 0.000 1.327 42 H CB -0.285 29.578 29.762 0.168 0.000 1.383 42 H HN 0.315 nan 8.280 nan 0.000 0.508 43 S N -0.824 114.917 115.700 0.068 0.000 2.382 43 S HA -0.109 4.361 4.470 0.001 0.000 0.228 43 S C 2.044 176.589 174.600 -0.091 0.000 1.027 43 S CA 1.111 59.362 58.200 0.085 0.000 0.991 43 S CB -0.435 63.123 63.200 0.596 0.000 0.823 43 S HN 0.391 nan 8.310 nan 0.000 0.469 44 L N 1.452 122.638 121.223 -0.061 0.000 2.072 44 L HA 0.136 4.476 4.340 0.001 0.000 0.205 44 L C 1.951 178.751 176.870 -0.115 0.000 1.079 44 L CA 1.509 56.205 54.840 -0.240 0.000 0.752 44 L CB -0.659 41.367 42.059 -0.056 0.000 0.906 44 L HN 0.339 nan 8.230 nan 0.000 0.436 45 I N -0.426 120.105 120.570 -0.066 0.000 2.163 45 I HA -0.341 3.829 4.170 0.001 0.000 0.243 45 I C 2.549 178.558 176.117 -0.179 0.000 1.085 45 I CA 1.828 63.089 61.300 -0.064 0.000 1.347 45 I CB -0.296 37.667 38.000 -0.061 0.000 1.044 45 I HN 0.432 nan 8.210 nan 0.000 0.408 46 E N 1.014 120.924 120.200 -0.484 0.000 2.077 46 E HA -0.244 4.107 4.350 0.001 0.000 0.193 46 E C 2.250 178.701 176.600 -0.249 0.000 0.989 46 E CA 1.236 57.219 56.400 -0.695 0.000 0.800 46 E CB -0.040 29.109 29.700 -0.917 0.000 0.746 46 E HN 0.497 nan 8.360 nan 0.000 0.452 47 A N 0.002 122.657 122.820 -0.274 0.000 1.972 47 A HA -0.164 4.156 4.320 0.001 0.000 0.219 47 A C 1.562 178.989 177.584 -0.261 0.000 1.169 47 A CA 1.139 52.998 52.037 -0.297 0.000 0.635 47 A CB -0.636 18.018 19.000 -0.576 0.000 0.810 47 A HN 0.420 nan 8.150 nan 0.000 0.446 48 Y N -1.382 118.840 120.300 -0.129 0.000 2.490 48 Y HA 0.339 4.889 4.550 0.000 0.000 0.281 48 Y C 1.676 177.565 175.900 -0.017 0.000 1.174 48 Y CA 0.061 58.117 58.100 -0.073 0.000 1.295 48 Y CB -0.132 38.281 38.460 -0.079 0.000 1.062 48 Y HN 0.513 nan 8.280 nan 0.000 0.522 49 A N -0.559 122.363 122.820 0.170 0.000 2.847 49 A HA -0.269 4.052 4.320 0.001 0.000 0.263 49 A C 1.371 179.028 177.584 0.121 0.000 1.391 49 A CA 1.216 53.367 52.037 0.190 0.000 0.866 49 A CB -2.163 16.875 19.000 0.064 0.000 1.057 49 A HN 0.518 nan 8.150 nan 0.000 0.673 50 L N -0.442 120.877 121.223 0.159 0.000 2.201 50 L HA -0.182 4.159 4.340 0.001 0.000 0.212 50 L C 2.713 179.581 176.870 -0.005 0.000 1.105 50 L CA 1.485 56.348 54.840 0.038 0.000 0.775 50 L CB -0.830 41.225 42.059 -0.006 0.000 0.913 50 L HN 0.896 nan 8.230 nan 0.000 0.440 51 H N -0.410 118.556 119.070 -0.173 0.000 2.457 51 H HA -0.075 4.481 4.556 0.000 0.000 0.294 51 H C 1.572 176.894 175.328 -0.010 0.000 1.064 51 H CA 0.683 56.643 56.048 -0.146 0.000 1.330 51 H CB -0.402 29.320 29.762 -0.066 0.000 1.395 51 H HN 0.151 nan 8.280 nan 0.000 0.541 52 K N 0.892 120.956 120.400 -0.561 0.000 2.362 52 K HA -0.042 4.278 4.320 0.001 0.000 0.200 52 K C 1.623 178.138 176.600 -0.141 0.000 1.046 52 K CA 0.648 56.722 56.287 -0.355 0.000 0.952 52 K CB 0.042 32.345 32.500 -0.328 0.000 0.753 52 K HN 0.574 nan 8.250 nan 0.000 0.466 53 Q N -0.802 118.940 119.800 -0.098 0.000 2.282 53 Q HA 0.258 4.598 4.340 0.001 0.000 0.206 53 Q C 0.220 176.204 176.000 -0.026 0.000 0.878 53 Q CA -0.029 55.743 55.803 -0.051 0.000 0.944 53 Q CB 0.527 29.238 28.738 -0.045 0.000 1.100 53 Q HN 0.175 nan 8.270 nan 0.000 0.509 54 M N -0.476 119.119 119.600 -0.009 0.000 2.755 54 M HA 0.426 4.906 4.480 0.001 0.000 0.298 54 M C -0.545 175.802 176.300 0.078 0.000 1.251 54 M CA -0.867 54.454 55.300 0.035 0.000 0.817 54 M CB 2.300 34.928 32.600 0.047 0.000 1.760 54 M HN -0.186 nan 8.290 nan 0.000 0.473 55 R N 1.749 122.309 120.500 0.100 0.000 2.215 55 R HA 0.487 4.828 4.340 0.001 0.000 0.337 55 R C -1.304 175.099 176.300 0.172 0.000 1.010 55 R CA -0.342 55.823 56.100 0.109 0.000 0.871 55 R CB 0.179 30.521 30.300 0.071 0.000 1.134 55 R HN 0.671 nan 8.270 nan 0.000 0.477 56 I N 5.189 125.890 120.570 0.218 0.000 2.505 56 I HA 0.028 4.198 4.170 0.001 0.000 0.287 56 I C -0.179 176.031 176.117 0.155 0.000 1.104 56 I CA -0.081 61.392 61.300 0.289 0.000 1.387 56 I CB 1.070 39.299 38.000 0.382 0.000 1.404 56 I HN 0.225 nan 8.210 nan 0.000 0.528 57 V N 7.134 127.105 119.914 0.096 0.000 2.384 57 V HA 0.193 4.314 4.120 0.001 0.000 0.287 57 V C 0.194 176.254 176.094 -0.056 0.000 1.020 57 V CA -0.930 61.379 62.300 0.014 0.000 0.850 57 V CB 1.659 33.478 31.823 -0.006 0.000 0.987 57 V HN 0.650 nan 8.190 nan 0.000 0.436 58 K N 8.431 128.789 120.400 -0.070 0.000 2.416 58 K HA 0.277 4.597 4.320 0.001 0.000 0.283 58 K C -2.269 174.232 176.600 -0.166 0.000 1.037 58 K CA -0.829 55.378 56.287 -0.133 0.000 0.995 58 K CB 0.731 33.170 32.500 -0.102 0.000 0.938 58 K HN 0.407 nan 8.250 nan 0.000 0.475 59 P HA 0.137 nan 4.420 nan 0.000 0.275 59 P C -0.919 176.251 177.300 -0.216 0.000 1.227 59 P CA -0.283 62.630 63.100 -0.312 0.000 0.781 59 P CB 0.929 32.255 31.700 -0.624 0.000 0.906 60 K N 2.350 122.651 120.400 -0.166 0.000 2.258 60 K HA 0.247 4.567 4.320 0.001 0.000 0.264 60 K C 0.030 176.552 176.600 -0.129 0.000 1.007 60 K CA -0.462 55.754 56.287 -0.118 0.000 0.941 60 K CB -0.042 32.408 32.500 -0.083 0.000 0.966 60 K HN 0.394 nan 8.250 nan 0.000 0.480 61 V N 1.866 121.721 119.914 -0.098 0.000 2.488 61 V HA 0.441 4.561 4.120 0.001 0.000 0.277 61 V C 0.896 176.938 176.094 -0.087 0.000 1.046 61 V CA -0.662 61.579 62.300 -0.099 0.000 0.986 61 V CB 0.937 32.711 31.823 -0.083 0.000 0.989 61 V HN 1.045 nan 8.190 nan 0.000 0.475 62 A N 5.174 127.935 122.820 -0.099 0.000 2.476 62 A HA 0.404 4.724 4.320 0.001 0.000 0.275 62 A C 0.901 178.445 177.584 -0.067 0.000 1.133 62 A CA 0.138 52.134 52.037 -0.069 0.000 0.797 62 A CB -0.259 18.706 19.000 -0.058 0.000 1.081 62 A HN 1.119 nan 8.150 nan 0.000 0.510 63 S N 3.090 118.775 115.700 -0.025 0.000 2.580 63 S HA 0.154 4.624 4.470 0.001 0.000 0.266 63 S C 1.196 175.814 174.600 0.030 0.000 1.354 63 S CA 0.246 58.449 58.200 0.004 0.000 1.008 63 S CB 0.234 63.441 63.200 0.013 0.000 0.898 63 S HN 0.724 nan 8.310 nan 0.000 0.555 64 M N 1.858 121.499 119.600 0.068 0.000 2.073 64 M HA -0.165 4.315 4.480 0.001 0.000 0.258 64 M C 2.278 178.626 176.300 0.079 0.000 1.070 64 M CA 2.227 57.588 55.300 0.102 0.000 1.103 64 M CB -1.175 31.488 32.600 0.105 0.000 1.321 64 M HN 0.937 nan 8.290 nan 0.000 0.405 65 E N -0.690 119.546 120.200 0.060 0.000 2.153 65 E HA -0.233 4.117 4.350 0.001 0.000 0.194 65 E C 1.727 178.366 176.600 0.065 0.000 0.988 65 E CA 1.693 58.126 56.400 0.056 0.000 0.811 65 E CB -0.835 28.889 29.700 0.041 0.000 0.746 65 E HN 0.703 nan 8.360 nan 0.000 0.466 66 E N 0.391 120.626 120.200 0.060 0.000 2.072 66 E HA -0.070 4.280 4.350 0.001 0.000 0.191 66 E C 2.255 178.919 176.600 0.105 0.000 0.985 66 E CA 1.617 58.057 56.400 0.067 0.000 0.801 66 E CB -0.119 29.607 29.700 0.042 0.000 0.750 66 E HN 0.348 nan 8.360 nan 0.000 0.452 67 M N -0.141 119.529 119.600 0.116 0.000 2.419 67 M HA 0.040 4.520 4.480 0.001 0.000 0.264 67 M C 2.280 178.719 176.300 0.231 0.000 1.082 67 M CA 0.776 56.195 55.300 0.199 0.000 1.119 67 M CB 0.084 32.773 32.600 0.150 0.000 1.398 67 M HN 0.038 nan 8.290 nan 0.000 0.453 68 A N 0.787 123.698 122.820 0.151 0.000 2.172 68 A HA -0.045 4.275 4.320 0.001 0.000 0.216 68 A C 2.335 179.981 177.584 0.104 0.000 1.154 68 A CA 1.927 54.036 52.037 0.120 0.000 0.701 68 A CB -1.408 17.643 19.000 0.085 0.000 0.789 68 A HN 0.584 nan 8.150 nan 0.000 0.465 69 T N -2.529 112.100 114.554 0.125 0.000 2.881 69 T HA -0.013 4.337 4.350 0.001 0.000 0.270 69 T C 1.531 176.330 174.700 0.165 0.000 1.068 69 T CA 1.817 63.991 62.100 0.123 0.000 1.131 69 T CB -0.269 68.674 68.868 0.126 0.000 0.871 69 T HN 0.442 nan 8.240 nan 0.000 0.479 70 F N -0.204 119.727 119.950 -0.031 0.000 2.495 70 F HA 0.280 4.808 4.527 0.000 0.000 0.272 70 F C 0.460 176.147 175.800 -0.189 0.000 0.919 70 F CA -0.919 56.984 58.000 -0.162 0.000 1.178 70 F CB 0.497 39.334 39.000 -0.270 0.000 1.030 70 F HN 0.103 nan 8.300 nan 0.000 0.777 71 H N 1.946 120.986 119.070 -0.050 0.000 2.683 71 H HA 0.221 4.777 4.556 0.000 0.000 0.339 71 H C 0.495 175.813 175.328 -0.016 0.000 1.081 71 H CA 0.627 56.636 56.048 -0.066 0.000 1.432 71 H CB 0.724 30.599 29.762 0.188 0.000 1.462 71 H HN 0.163 nan 8.280 nan 0.000 0.557 72 T N -0.136 114.471 114.554 0.087 0.000 2.900 72 T HA -0.015 4.335 4.350 0.001 0.000 0.307 72 T C 0.802 175.577 174.700 0.126 0.000 1.065 72 T CA -0.552 61.592 62.100 0.074 0.000 1.105 72 T CB 0.622 69.521 68.868 0.052 0.000 0.979 72 T HN 0.424 nan 8.240 nan 0.000 0.544 73 D N 1.543 121.990 120.400 0.078 0.000 2.178 73 D HA 0.079 4.719 4.640 0.001 0.000 0.202 73 D C 2.315 178.638 176.300 0.038 0.000 0.974 73 D CA 1.298 55.331 54.000 0.055 0.000 0.841 73 D CB -0.340 40.483 40.800 0.038 0.000 0.953 73 D HN 0.723 nan 8.370 nan 0.000 0.478 74 A N 0.348 123.213 122.820 0.075 0.000 1.883 74 A HA -0.246 4.074 4.320 0.001 0.000 0.217 74 A C 2.079 179.626 177.584 -0.060 0.000 1.186 74 A CA 1.265 53.353 52.037 0.085 0.000 0.624 74 A CB -1.060 18.052 19.000 0.187 0.000 0.822 74 A HN 0.344 nan 8.150 nan 0.000 0.444 75 Y N 0.649 120.828 120.300 -0.201 0.000 2.070 75 Y HA -0.202 4.349 4.550 0.001 0.000 0.280 75 Y C 2.043 177.808 175.900 -0.225 0.000 1.148 75 Y CA 1.742 59.591 58.100 -0.419 0.000 1.125 75 Y CB -0.842 37.557 38.460 -0.101 0.000 0.975 75 Y HN 0.218 nan 8.280 nan 0.000 0.492 76 L N -0.091 120.971 121.223 -0.267 0.000 2.013 76 L HA -0.353 3.987 4.340 0.001 0.000 0.212 76 L C 2.926 179.642 176.870 -0.256 0.000 1.073 76 L CA 2.129 56.825 54.840 -0.239 0.000 0.753 76 L CB -1.419 40.637 42.059 -0.005 0.000 0.890 76 L HN 0.453 nan 8.230 nan 0.000 0.432 77 Q N -0.547 119.129 119.800 -0.207 0.000 2.119 77 Q HA -0.284 4.056 4.340 0.001 0.000 0.201 77 Q C 1.907 177.741 176.000 -0.276 0.000 0.972 77 Q CA 1.929 57.589 55.803 -0.239 0.000 0.847 77 Q CB -1.258 27.408 28.738 -0.120 0.000 0.903 77 Q HN 0.713 nan 8.270 nan 0.000 0.433 78 H N 0.029 118.891 119.070 -0.347 0.000 2.321 78 H HA 0.052 4.608 4.556 0.001 0.000 0.300 78 H C 2.022 177.171 175.328 -0.298 0.000 1.087 78 H CA 1.735 57.592 56.048 -0.319 0.000 1.319 78 H CB -0.191 29.253 29.762 -0.531 0.000 1.379 78 H HN 0.417 nan 8.280 nan 0.000 0.501 79 L N 0.194 121.211 121.223 -0.344 0.000 2.043 79 L HA -0.281 4.059 4.340 0.001 0.000 0.212 79 L C 2.736 179.364 176.870 -0.405 0.000 1.075 79 L CA 1.888 56.556 54.840 -0.287 0.000 0.752 79 L CB -0.548 41.407 42.059 -0.174 0.000 0.891 79 L HN 0.521 nan 8.230 nan 0.000 0.432 80 Q N 0.118 119.443 119.800 -0.792 0.000 2.061 80 Q HA -0.295 4.045 4.340 0.001 0.000 0.204 80 Q C 2.498 178.188 176.000 -0.516 0.000 0.984 80 Q CA 2.855 58.009 55.803 -1.081 0.000 0.846 80 Q CB -0.006 27.987 28.738 -1.242 0.000 0.902 80 Q HN 0.513 nan 8.270 nan 0.000 0.421 81 K N -0.322 119.824 120.400 -0.424 0.000 2.031 81 K HA -0.057 4.263 4.320 0.001 0.000 0.205 81 K C 1.938 178.380 176.600 -0.265 0.000 1.049 81 K CA 1.381 57.490 56.287 -0.296 0.000 0.939 81 K CB -1.209 31.140 32.500 -0.252 0.000 0.717 81 K HN 0.172 nan 8.250 nan 0.000 0.438 82 V N 1.259 120.961 119.914 -0.352 0.000 2.380 82 V HA -0.261 3.860 4.120 0.001 0.000 0.251 82 V C 2.738 178.732 176.094 -0.167 0.000 1.063 82 V CA 2.416 64.560 62.300 -0.261 0.000 1.055 82 V CB -0.363 31.275 31.823 -0.308 0.000 0.657 82 V HN 0.714 nan 8.190 nan 0.000 0.455 83 S N -1.046 114.552 115.700 -0.171 0.000 2.399 83 S HA -0.124 4.346 4.470 0.001 0.000 0.231 83 S C 1.359 175.912 174.600 -0.079 0.000 1.022 83 S CA 1.482 59.623 58.200 -0.097 0.000 0.983 83 S CB -0.353 62.838 63.200 -0.015 0.000 0.803 83 S HN 0.785 nan 8.310 nan 0.000 0.480 93 S N 0.184 115.892 115.700 0.014 0.000 2.423 93 S HA -0.002 4.468 4.470 0.001 0.000 0.231 93 S C 2.006 176.655 174.600 0.082 0.000 1.014 93 S CA 1.029 59.303 58.200 0.122 0.000 0.965 93 S CB -0.276 63.086 63.200 0.269 0.000 0.785 93 S HN 0.632 nan 8.310 nan 0.000 0.495 94 I N 2.028 122.613 120.570 0.026 0.000 2.614 94 I HA -0.078 4.092 4.170 0.001 0.000 0.258 94 I C 2.715 178.806 176.117 -0.043 0.000 1.189 94 I CA 1.311 62.619 61.300 0.013 0.000 1.462 94 I CB -1.908 36.095 38.000 0.005 0.000 1.092 94 I HN 0.404 nan 8.210 nan 0.000 0.442 95 E N 0.492 120.610 120.200 -0.137 0.000 2.072 95 E HA -0.191 4.159 4.350 0.001 0.000 0.190 95 E C 1.502 177.953 176.600 -0.249 0.000 0.982 95 E CA 0.917 57.169 56.400 -0.246 0.000 0.803 95 E CB -0.977 nan 29.700 nan 0.000 0.755 95 E HN 0.559 nan 8.360 nan 0.000 0.453 96 Y N 0.282 120.518 120.300 -0.108 0.000 2.506 96 Y HA 0.404 4.954 4.550 0.001 0.000 0.333 96 Y C 2.020 177.874 175.900 -0.077 0.000 1.177 96 Y CA -0.137 57.883 58.100 -0.132 0.000 1.292 96 Y CB -0.271 38.150 38.460 -0.064 0.000 1.124 96 Y HN 0.359 nan 8.280 nan 0.000 0.507 97 G N 0.008 108.845 108.800 0.062 0.000 2.186 97 G HA2 -0.317 3.643 3.960 0.001 0.000 0.266 97 G HA3 -0.317 3.643 3.960 0.001 0.000 0.266 97 G C 0.261 175.238 174.900 0.129 0.000 0.982 97 G CA 0.309 45.451 45.100 0.069 0.000 0.670 97 G HN 0.350 nan 8.290 nan 0.000 0.533 98 L N -0.310 121.031 121.223 0.197 0.000 2.418 98 L HA 0.634 4.974 4.340 0.001 0.000 0.265 98 L C 1.257 178.225 176.870 0.163 0.000 1.143 98 L CA 0.563 55.541 54.840 0.229 0.000 0.809 98 L CB 1.145 43.397 42.059 0.322 0.000 1.124 98 L HN 0.627 nan 8.230 nan 0.000 0.456 99 G N 0.047 108.940 108.800 0.155 0.000 2.480 99 G HA2 -0.167 3.793 3.960 0.001 0.000 0.109 99 G HA3 -0.167 3.793 3.960 0.001 0.000 0.109 99 G C -0.302 174.695 174.900 0.161 0.000 1.172 99 G CA -0.021 45.164 45.100 0.142 0.000 1.091 99 G HN 0.391 nan 8.290 nan 0.000 0.464 100 Y N 1.974 122.284 120.300 0.017 0.000 2.049 100 Y HA -0.069 4.481 4.550 0.001 0.000 0.277 100 Y C 2.661 178.559 175.900 -0.004 0.000 1.143 100 Y CA 3.003 61.103 58.100 -0.001 0.000 1.115 100 Y CB -0.539 37.916 38.460 -0.007 0.000 0.975 100 Y HN 0.394 nan 8.280 nan 0.000 0.487 101 D N -1.184 119.136 120.400 -0.134 0.000 2.178 101 D HA -0.079 4.561 4.640 0.001 0.000 0.202 101 D C 0.401 176.625 176.300 -0.126 0.000 0.974 101 D CA 1.279 55.214 54.000 -0.108 0.000 0.841 101 D CB -0.386 40.391 40.800 -0.037 0.000 0.953 101 D HN 0.198 nan 8.370 nan 0.000 0.478 102 C N 2.156 121.403 119.300 -0.088 0.000 2.816 102 C HA 0.359 4.819 4.460 0.001 0.000 0.255 102 C C -2.461 172.626 174.990 0.161 0.000 1.141 102 C CA -1.734 57.209 59.018 -0.126 0.000 1.554 102 C CB 0.480 28.109 27.740 -0.185 0.000 1.778 102 C HN 0.056 nan 8.230 nan 0.000 0.429 103 P HA 0.188 nan 4.420 nan 0.000 0.269 103 P C -0.082 177.319 177.300 0.168 0.000 1.209 103 P CA 0.352 63.534 63.100 0.137 0.000 0.776 103 P CB 0.659 32.390 31.700 0.052 0.000 0.876 104 A N 1.435 124.316 122.820 0.103 0.000 3.078 104 A HA 0.535 4.855 4.320 0.001 0.000 0.279 104 A C 0.780 178.353 177.584 -0.018 0.000 1.594 104 A CA 0.128 52.189 52.037 0.041 0.000 1.301 104 A CB -1.627 nan 19.000 nan 0.000 1.162 104 A HN 0.588 nan 8.150 nan 0.000 0.585 105 T N -0.043 114.478 114.554 -0.055 0.000 2.907 105 T HA 0.615 4.966 4.350 0.001 0.000 0.284 105 T C 0.389 175.042 174.700 -0.078 0.000 1.004 105 T CA 0.080 62.144 62.100 -0.060 0.000 1.063 105 T CB 0.306 nan 68.868 nan 0.000 0.992 105 T HN 1.064 nan 8.240 nan 0.000 0.483 106 E N 0.756 120.924 120.200 -0.053 0.000 2.918 106 E HA 0.391 4.741 4.350 0.001 0.000 0.232 106 E C 1.342 177.916 176.600 -0.042 0.000 1.073 106 E CA 0.581 56.955 56.400 -0.044 0.000 0.949 106 E CB -1.605 nan 29.700 nan 0.000 0.937 106 E HN 2.387 nan 8.360 nan 0.000 0.536 107 G N 1.462 110.239 108.800 -0.039 0.000 2.168 107 G HA2 -0.246 3.714 3.960 0.001 0.000 0.197 107 G HA3 -0.246 3.714 3.960 0.001 0.000 0.197 107 G C 1.250 176.136 174.900 -0.023 0.000 0.997 107 G CA 0.627 45.720 45.100 -0.011 0.000 0.658 107 G HN 1.636 nan 8.290 nan 0.000 0.513 108 I N -2.490 118.008 120.570 -0.119 0.000 2.493 108 I HA 0.200 4.371 4.170 0.001 0.000 0.254 108 I C 2.144 178.166 176.117 -0.158 0.000 1.160 108 I CA 1.521 62.648 61.300 -0.289 0.000 1.445 108 I CB -0.300 37.303 38.000 -0.662 0.000 1.086 108 I HN 0.113 nan 8.210 nan 0.000 0.433 109 F N 2.853 122.679 119.950 -0.207 0.000 2.146 109 F HA -0.146 4.381 4.527 -0.000 0.000 0.298 109 F C 2.059 177.810 175.800 -0.081 0.000 1.096 109 F CA 1.709 59.611 58.000 -0.164 0.000 1.275 109 F CB -0.382 38.516 39.000 -0.170 0.000 1.008 109 F HN 0.082 nan 8.300 nan 0.000 0.480 110 D N -0.874 119.491 120.400 -0.060 0.000 2.218 110 D HA -0.233 4.407 4.640 0.001 0.000 0.204 110 D C 1.947 178.189 176.300 -0.097 0.000 0.976 110 D CA 1.284 55.214 54.000 -0.116 0.000 0.853 110 D CB -0.738 40.060 40.800 -0.003 0.000 0.939 110 D HN 0.441 nan 8.370 nan 0.000 0.481 111 Y N 1.894 122.102 120.300 -0.154 0.000 2.089 111 Y HA -0.188 4.362 4.550 0.000 0.000 0.282 111 Y C 2.401 178.245 175.900 -0.092 0.000 1.139 111 Y CA 2.030 60.064 58.100 -0.109 0.000 1.123 111 Y CB -0.358 38.022 38.460 -0.135 0.000 0.980 111 Y HN -0.050 nan 8.280 nan 0.000 0.493 112 A N 0.798 123.602 122.820 -0.026 0.000 1.877 112 A HA -0.158 4.162 4.320 0.001 0.000 0.216 112 A C 2.416 179.879 177.584 -0.201 0.000 1.186 112 A CA 2.136 54.126 52.037 -0.078 0.000 0.620 112 A CB -1.659 17.310 19.000 -0.051 0.000 0.822 112 A HN 0.673 nan 8.150 nan 0.000 0.443 113 A N -0.317 122.286 122.820 -0.362 0.000 1.978 113 A HA 0.109 4.429 4.320 0.001 0.000 0.220 113 A C 2.452 179.923 177.584 -0.188 0.000 1.170 113 A CA 2.245 54.079 52.037 -0.339 0.000 0.636 113 A CB -0.885 17.806 19.000 -0.514 0.000 0.810 113 A HN 1.054 nan 8.150 nan 0.000 0.448 114 A N -0.164 122.563 122.820 -0.156 0.000 1.872 114 A HA 0.027 4.347 4.320 0.001 0.000 0.214 114 A C 2.119 179.719 177.584 0.027 0.000 1.187 114 A CA 1.328 53.336 52.037 -0.048 0.000 0.614 114 A CB -0.508 18.518 19.000 0.044 0.000 0.826 114 A HN 0.474 nan 8.150 nan 0.000 0.442 115 I N -0.269 120.289 120.570 -0.020 0.000 2.202 115 I HA -0.183 3.987 4.170 0.001 0.000 0.242 115 I C 2.743 178.907 176.117 0.078 0.000 1.091 115 I CA 1.172 62.531 61.300 0.097 0.000 1.368 115 I CB -0.766 37.237 38.000 0.005 0.000 1.058 115 I HN 0.396 nan 8.210 nan 0.000 0.410 116 G N 0.663 109.487 108.800 0.040 0.000 2.446 116 G HA2 -0.208 3.752 3.960 0.001 0.000 0.217 116 G HA3 -0.208 3.752 3.960 0.001 0.000 0.217 116 G C 1.729 176.631 174.900 0.003 0.000 1.168 116 G CA 0.879 46.013 45.100 0.058 0.000 0.771 116 G HN 0.497 nan 8.290 nan 0.000 0.551 117 G N 1.103 109.871 108.800 -0.053 0.000 2.442 117 G HA2 0.008 3.969 3.960 0.001 0.000 0.219 117 G HA3 0.008 3.969 3.960 0.001 0.000 0.219 117 G C 2.048 176.863 174.900 -0.142 0.000 1.141 117 G CA 1.591 46.637 45.100 -0.091 0.000 0.763 117 G HN 0.679 nan 8.290 nan 0.000 0.554 118 A N 0.080 122.773 122.820 -0.212 0.000 1.902 118 A HA -0.005 4.316 4.320 0.001 0.000 0.217 118 A C 2.524 180.014 177.584 -0.157 0.000 1.181 118 A CA 2.433 54.272 52.037 -0.331 0.000 0.623 118 A CB -0.805 17.848 19.000 -0.579 0.000 0.818 118 A HN 0.298 nan 8.150 nan 0.000 0.443 119 T N -0.074 114.445 114.554 -0.058 0.000 2.857 119 T HA 0.017 4.367 4.350 0.001 0.000 0.266 119 T C 1.775 176.466 174.700 -0.015 0.000 1.048 119 T CA 1.207 63.296 62.100 -0.018 0.000 1.139 119 T CB -0.325 68.566 68.868 0.038 0.000 0.874 119 T HN 0.392 nan 8.240 nan 0.000 0.455 120 I N 1.367 121.930 120.570 -0.011 0.000 2.179 120 I HA -0.203 3.968 4.170 0.001 0.000 0.242 120 I C 2.681 178.786 176.117 -0.020 0.000 1.088 120 I CA 1.185 62.484 61.300 -0.001 0.000 1.357 120 I CB -0.555 37.448 38.000 0.004 0.000 1.051 120 I HN 0.247 nan 8.210 nan 0.000 0.409 121 T N 0.742 115.262 114.554 -0.057 0.000 2.684 121 T HA -0.219 4.131 4.350 0.001 0.000 0.267 121 T C 2.068 176.738 174.700 -0.051 0.000 1.036 121 T CA 1.458 63.517 62.100 -0.067 0.000 1.148 121 T CB -0.495 68.302 68.868 -0.117 0.000 0.863 121 T HN 0.486 nan 8.240 nan 0.000 0.436 122 A N 1.749 124.531 122.820 -0.062 0.000 1.873 122 A HA 0.006 4.326 4.320 0.001 0.000 0.218 122 A C 2.688 180.267 177.584 -0.008 0.000 1.193 122 A CA 2.179 54.188 52.037 -0.046 0.000 0.629 122 A CB -1.283 17.676 19.000 -0.068 0.000 0.826 122 A HN 0.547 nan 8.150 nan 0.000 0.447 123 A N -1.469 121.356 122.820 0.009 0.000 1.972 123 A HA -0.161 4.159 4.320 0.001 0.000 0.219 123 A C 2.124 179.748 177.584 0.066 0.000 1.169 123 A CA 2.108 54.175 52.037 0.051 0.000 0.635 123 A CB -0.422 18.615 19.000 0.061 0.000 0.810 123 A HN 0.558 nan 8.150 nan 0.000 0.446 124 Q N -0.576 119.243 119.800 0.032 0.000 2.123 124 Q HA -0.096 4.244 4.340 0.001 0.000 0.199 124 Q C 1.929 177.945 176.000 0.027 0.000 0.966 124 Q CA 1.958 57.776 55.803 0.025 0.000 0.845 124 Q CB -0.909 27.831 28.738 0.004 0.000 0.907 124 Q HN 0.629 nan 8.270 nan 0.000 0.439 125 C N -0.210 119.103 119.300 0.021 0.000 2.413 125 C HA -0.100 4.360 4.460 0.001 0.000 0.276 125 C C 2.329 177.352 174.990 0.056 0.000 1.248 125 C CA 0.371 59.404 59.018 0.026 0.000 1.742 125 C CB -1.085 26.663 27.740 0.013 0.000 2.017 125 C HN 0.472 nan 8.230 nan 0.000 0.481 126 L N 1.434 122.707 121.223 0.084 0.000 2.005 126 L HA -0.050 4.291 4.340 0.001 0.000 0.207 126 L C 2.417 179.436 176.870 0.249 0.000 1.072 126 L CA 1.904 56.838 54.840 0.156 0.000 0.744 126 L CB -1.327 40.828 42.059 0.160 0.000 0.895 126 L HN 0.449 nan 8.230 nan 0.000 0.433 127 I N -3.434 117.262 120.570 0.211 0.000 2.614 127 I HA -0.156 4.014 4.170 0.001 0.000 0.258 127 I C 1.213 177.320 176.117 -0.016 0.000 1.189 127 I CA 1.326 62.653 61.300 0.045 0.000 1.462 127 I CB -0.481 37.497 38.000 -0.037 0.000 1.092 127 I HN 0.109 nan 8.210 nan 0.000 0.442 128 D N 1.671 122.085 120.400 0.023 0.000 2.340 128 D HA 0.121 4.762 4.640 0.001 0.000 0.220 128 D C 1.788 178.101 176.300 0.021 0.000 1.039 128 D CA 1.063 55.067 54.000 0.007 0.000 0.866 128 D CB 0.352 41.156 40.800 0.007 0.000 0.913 128 D HN 0.604 nan 8.370 nan 0.000 0.523 129 G N 1.410 110.243 108.800 0.053 0.000 2.179 129 G HA2 -0.387 3.574 3.960 0.001 0.000 0.257 129 G HA3 -0.387 3.574 3.960 0.001 0.000 0.257 129 G C 0.972 175.899 174.900 0.045 0.000 1.010 129 G CA 0.726 45.863 45.100 0.062 0.000 0.736 129 G HN 0.351 nan 8.290 nan 0.000 0.513 130 M N -0.619 119.005 119.600 0.040 0.000 2.279 130 M HA 0.086 4.566 4.480 0.001 0.000 0.264 130 M C 1.390 177.709 176.300 0.032 0.000 1.062 130 M CA 2.185 57.503 55.300 0.031 0.000 1.099 130 M CB -0.151 32.464 32.600 0.026 0.000 1.394 130 M HN 1.039 nan 8.290 nan 0.000 0.426 131 C N -3.720 115.604 119.300 0.039 0.000 3.312 131 C HA 0.426 4.886 4.460 0.001 0.000 0.332 131 C C 0.627 175.637 174.990 0.034 0.000 1.340 131 C CA -1.237 57.799 59.018 0.030 0.000 1.265 131 C CB 1.545 29.298 27.740 0.022 0.000 1.563 131 C HN 0.296 nan 8.230 nan 0.000 0.471 132 K N 0.468 120.879 120.400 0.018 0.000 2.137 132 K HA 0.348 4.668 4.320 0.001 0.000 0.202 132 K C 0.300 176.891 176.600 -0.014 0.000 1.052 132 K CA 1.203 57.496 56.287 0.009 0.000 0.961 132 K CB 0.074 32.576 32.500 0.003 0.000 0.741 132 K HN 0.684 nan 8.250 nan 0.000 0.452 133 V N 0.775 120.676 119.914 -0.022 0.000 2.540 133 V HA 0.695 4.815 4.120 0.001 0.000 0.302 133 V C -0.982 175.085 176.094 -0.045 0.000 1.035 133 V CA -1.058 61.214 62.300 -0.047 0.000 0.873 133 V CB 1.493 33.280 31.823 -0.060 0.000 0.992 133 V HN 0.155 nan 8.190 nan 0.000 0.428 134 A N 5.604 128.383 122.820 -0.069 0.000 2.356 134 A HA 0.928 5.249 4.320 0.001 0.000 0.310 134 A C -1.002 176.492 177.584 -0.150 0.000 1.075 134 A CA -0.494 51.499 52.037 -0.072 0.000 0.746 134 A CB 1.032 20.004 19.000 -0.045 0.000 1.221 134 A HN 0.764 nan 8.150 nan 0.000 0.443 135 I N 2.265 122.734 120.570 -0.168 0.000 2.406 135 I HA 0.359 4.530 4.170 0.001 0.000 0.290 135 I C 0.110 176.050 176.117 -0.296 0.000 0.999 135 I CA -0.244 60.842 61.300 -0.356 0.000 1.124 135 I CB 1.921 39.677 38.000 -0.405 0.000 1.289 135 I HN 0.792 nan 8.210 nan 0.000 0.441 136 N N 5.613 124.095 118.700 -0.363 0.000 2.762 136 N HA 0.183 4.924 4.740 0.001 0.000 0.252 136 N C 0.220 175.644 175.510 -0.144 0.000 1.269 136 N CA -0.492 52.460 53.050 -0.163 0.000 0.799 136 N CB 0.640 39.082 38.487 -0.075 0.000 1.173 136 N HN 0.691 nan 8.380 nan 0.000 0.516 137 W N 1.379 122.652 121.300 -0.045 0.000 2.421 137 W HA -0.041 4.619 4.660 0.000 0.000 0.270 137 W C 1.924 178.323 176.519 -0.201 0.000 1.233 137 W CA 0.079 57.264 57.345 -0.267 0.000 1.226 137 W CB 0.456 29.894 29.460 -0.036 0.000 1.121 137 W HN 0.434 nan 8.180 nan 0.000 0.579 138 S N -0.475 115.396 115.700 0.284 0.000 2.603 138 S HA 0.130 4.600 4.470 0.001 0.000 0.220 138 S C 1.133 175.961 174.600 0.379 0.000 0.967 138 S CA 0.350 58.746 58.200 0.327 0.000 0.920 138 S CB -0.314 62.999 63.200 0.190 0.000 0.773 138 S HN 0.223 nan 8.310 nan 0.000 0.529 139 G N -0.357 108.541 108.800 0.164 0.000 2.543 139 G HA2 0.493 4.454 3.960 0.001 0.000 0.267 139 G HA3 0.493 4.454 3.960 0.001 0.000 0.267 139 G C 0.678 175.384 174.900 -0.324 0.000 1.406 139 G CA -0.058 45.096 45.100 0.089 0.000 1.048 139 G HN 0.647 nan 8.290 nan 0.000 0.548 140 G N -2.644 105.988 108.800 -0.280 0.000 2.134 140 G HA2 -0.193 3.767 3.960 0.001 0.000 0.209 140 G HA3 -0.193 3.767 3.960 0.001 0.000 0.209 140 G C 0.061 174.619 174.900 -0.571 0.000 0.993 140 G CA 0.058 44.895 45.100 -0.437 0.000 0.669 140 G HN 0.546 nan 8.290 nan 0.000 0.519 141 W N 2.171 123.548 121.300 0.128 0.000 1.606 141 W HA 0.489 5.149 4.660 0.000 0.000 0.455 141 W C 1.589 178.264 176.519 0.260 0.000 0.711 141 W CA -0.113 57.358 57.345 0.210 0.000 1.876 141 W CB -0.686 28.936 29.460 0.270 0.000 1.776 141 W HN 0.590 nan 8.180 nan 0.000 0.229 142 H N -2.125 117.005 119.070 0.101 0.000 2.547 142 H HA 0.056 4.612 4.556 0.000 0.000 0.266 142 H C 1.096 176.395 175.328 -0.048 0.000 0.988 142 H CA 0.226 56.266 56.048 -0.015 0.000 1.147 142 H CB 0.231 29.967 29.762 -0.042 0.000 1.365 142 H HN 0.377 nan 8.280 nan 0.000 0.589 143 H N 1.029 120.321 119.070 0.369 0.000 2.562 143 H HA 0.339 4.896 4.556 0.000 0.000 0.267 143 H C 1.100 176.570 175.328 0.236 0.000 0.959 143 H CA 0.424 56.593 56.048 0.202 0.000 1.204 143 H CB 0.186 30.114 29.762 0.276 0.000 1.430 143 H HN 0.459 nan 8.280 nan 0.000 0.545 144 A N 2.531 125.611 122.820 0.434 0.000 2.498 144 A HA 0.188 4.508 4.320 0.001 0.000 0.239 144 A C 0.625 178.478 177.584 0.449 0.000 1.068 144 A CA -0.042 52.262 52.037 0.444 0.000 0.766 144 A CB 0.511 19.850 19.000 0.564 0.000 1.003 144 A HN 0.143 nan 8.150 nan 0.000 0.497 145 K N 1.365 121.959 120.400 0.324 0.000 2.210 145 K HA 0.229 4.550 4.320 0.001 0.000 0.236 145 K C 1.023 177.629 176.600 0.009 0.000 1.016 145 K CA -0.441 55.963 56.287 0.195 0.000 0.913 145 K CB 1.048 33.586 32.500 0.064 0.000 1.141 145 K HN 0.793 nan 8.250 nan 0.000 0.462 146 K N 0.275 120.424 120.400 -0.418 0.000 2.063 146 K HA -0.173 4.147 4.320 0.001 0.000 0.208 146 K C 0.347 176.857 176.600 -0.149 0.000 1.048 146 K CA 2.150 57.966 56.287 -0.784 0.000 0.928 146 K CB -0.134 31.856 32.500 -0.849 0.000 0.713 146 K HN 0.584 nan 8.250 nan 0.000 0.442 147 D N -0.076 120.243 120.400 -0.135 0.000 2.623 147 D HA 0.161 4.802 4.640 0.001 0.000 0.252 147 D C -0.796 175.264 176.300 -0.399 0.000 1.294 147 D CA -0.365 53.566 54.000 -0.115 0.000 0.824 147 D CB 0.415 41.222 40.800 0.012 0.000 1.070 147 D HN 0.336 nan 8.370 nan 0.000 0.487 148 E N 0.565 120.417 120.200 -0.580 0.000 2.454 148 E HA 0.441 4.791 4.350 0.001 0.000 0.315 148 E C -1.145 175.333 176.600 -0.203 0.000 0.907 148 E CA -0.517 55.654 56.400 -0.382 0.000 0.797 148 E CB 1.597 31.222 29.700 -0.126 0.000 1.396 148 E HN 0.202 nan 8.360 nan 0.000 0.389 149 A N 2.499 125.229 122.820 -0.151 0.000 2.520 149 A HA 0.430 4.750 4.320 0.001 0.000 0.235 149 A C 0.049 177.697 177.584 0.106 0.000 1.065 149 A CA 0.645 52.776 52.037 0.156 0.000 0.764 149 A CB 0.748 19.955 19.000 0.345 0.000 1.002 149 A HN 0.394 nan 8.150 nan 0.000 0.502 150 S N 0.520 116.300 115.700 0.133 0.000 2.556 150 S HA 0.516 4.986 4.470 0.001 0.000 0.280 150 S C 0.095 174.777 174.600 0.137 0.000 1.141 150 S CA 0.694 58.976 58.200 0.137 0.000 0.883 150 S CB 0.575 63.892 63.200 0.196 0.000 1.103 150 S HN 2.710 nan 8.310 nan 0.000 0.453 151 G N 3.096 111.833 108.800 -0.105 0.000 2.371 151 G HA2 -0.198 3.762 3.960 0.001 0.000 0.299 151 G HA3 -0.198 3.762 3.960 0.001 0.000 0.299 151 G C 0.478 175.252 174.900 -0.210 0.000 1.014 151 G CA 0.580 45.345 45.100 -0.558 0.000 1.097 151 G HN 1.576 nan 8.290 nan 0.000 0.512 152 F N -4.014 115.802 119.950 -0.223 0.000 2.748 152 F HA -0.250 4.277 4.527 0.001 0.000 0.370 152 F C 1.467 177.053 175.800 -0.357 0.000 0.620 152 F CA -0.103 57.711 58.000 -0.310 0.000 1.233 152 F CB -2.218 36.687 39.000 -0.158 0.000 1.708 152 F HN 0.615 nan 8.300 nan 0.000 0.298 153 C N 1.218 120.582 119.300 0.105 0.000 2.223 153 C HA 0.455 4.916 4.460 0.001 0.000 0.324 153 C C 1.766 176.835 174.990 0.130 0.000 1.196 153 C CA -0.509 58.639 59.018 0.216 0.000 1.628 153 C CB -1.015 27.045 27.740 0.534 0.000 2.229 153 C HN 0.362 nan 8.230 nan 0.000 0.486 154 Y N 1.665 122.106 120.300 0.235 0.000 2.395 154 Y HA 0.164 4.715 4.550 0.001 0.000 0.293 154 Y C 0.902 176.953 175.900 0.252 0.000 1.123 154 Y CA 0.478 58.730 58.100 0.252 0.000 1.227 154 Y CB 0.190 38.760 38.460 0.183 0.000 1.012 154 Y HN 0.600 nan 8.280 nan 0.000 0.552 155 L N 0.012 121.474 121.223 0.399 0.000 2.493 155 L HA 0.376 4.716 4.340 0.001 0.000 0.265 155 L C -1.019 176.179 176.870 0.548 0.000 0.954 155 L CA -0.778 54.241 54.840 0.298 0.000 0.844 155 L CB 1.386 43.538 42.059 0.156 0.000 1.302 155 L HN -0.166 nan 8.230 nan 0.000 0.405 156 N N 3.716 122.893 118.700 0.797 0.000 2.739 156 N HA -0.014 4.727 4.740 0.001 0.000 0.266 156 N C 0.536 176.244 175.510 0.330 0.000 1.168 156 N CA 0.209 53.555 53.050 0.493 0.000 1.055 156 N CB 0.440 39.126 38.487 0.331 0.000 1.393 156 N HN 0.829 nan 8.380 nan 0.000 0.514 157 D N 1.774 122.367 120.400 0.322 0.000 2.219 157 D HA -0.168 4.472 4.640 0.001 0.000 0.205 157 D C 1.264 177.643 176.300 0.132 0.000 0.970 157 D CA 0.586 54.721 54.000 0.224 0.000 0.851 157 D CB 0.017 40.962 40.800 0.242 0.000 0.943 157 D HN 0.372 nan 8.370 nan 0.000 0.488 158 A N 1.119 124.002 122.820 0.106 0.000 1.933 158 A HA -0.055 4.265 4.320 0.001 0.000 0.218 158 A C 2.652 180.219 177.584 -0.028 0.000 1.175 158 A CA 1.350 53.413 52.037 0.044 0.000 0.628 158 A CB -0.781 18.240 19.000 0.034 0.000 0.814 158 A HN 0.197 nan 8.150 nan 0.000 0.444 159 V N 0.203 120.062 119.914 -0.092 0.000 2.295 159 V HA -0.260 3.860 4.120 0.001 0.000 0.246 159 V C 2.561 178.652 176.094 -0.004 0.000 1.049 159 V CA 2.004 64.223 62.300 -0.136 0.000 1.024 159 V CB -0.791 30.578 31.823 -0.756 0.000 0.648 159 V HN 0.580 nan 8.190 nan 0.000 0.447 160 L N 0.336 121.571 121.223 0.020 0.000 2.083 160 L HA -0.072 4.268 4.340 0.001 0.000 0.209 160 L C 2.658 179.578 176.870 0.084 0.000 1.083 160 L CA 1.634 56.525 54.840 0.086 0.000 0.752 160 L CB -1.233 40.902 42.059 0.127 0.000 0.899 160 L HN 0.467 nan 8.230 nan 0.000 0.433 161 G N 0.680 109.522 108.800 0.070 0.000 2.459 161 G HA2 -0.243 3.717 3.960 0.001 0.000 0.217 161 G HA3 -0.243 3.717 3.960 0.001 0.000 0.217 161 G C 1.581 176.521 174.900 0.066 0.000 1.183 161 G CA 0.865 46.002 45.100 0.062 0.000 0.776 161 G HN 0.282 nan 8.290 nan 0.000 0.552 162 I N 0.410 121.011 120.570 0.052 0.000 2.208 162 I HA -0.166 4.005 4.170 0.001 0.000 0.245 162 I C 2.729 178.883 176.117 0.061 0.000 1.097 162 I CA 0.738 62.036 61.300 -0.003 0.000 1.363 162 I CB -0.187 37.696 38.000 -0.195 0.000 1.051 162 I HN 0.127 nan 8.210 nan 0.000 0.413 163 L N -0.069 121.247 121.223 0.155 0.000 2.093 163 L HA -0.199 4.141 4.340 0.001 0.000 0.208 163 L C 2.738 179.677 176.870 0.115 0.000 1.085 163 L CA 0.953 55.896 54.840 0.172 0.000 0.755 163 L CB -0.446 41.722 42.059 0.182 0.000 0.904 163 L HN 0.191 nan 8.230 nan 0.000 0.435 164 R N 0.835 121.393 120.500 0.097 0.000 2.066 164 R HA -0.115 4.226 4.340 0.001 0.000 0.232 164 R C 2.108 178.467 176.300 0.098 0.000 1.131 164 R CA 1.577 57.726 56.100 0.081 0.000 0.955 164 R CB -0.787 29.553 30.300 0.067 0.000 0.851 164 R HN 0.246 nan 8.270 nan 0.000 0.432 165 L N 0.325 121.628 121.223 0.134 0.000 2.187 165 L HA -0.114 4.226 4.340 0.001 0.000 0.213 165 L C 2.275 179.287 176.870 0.238 0.000 1.100 165 L CA 1.010 55.997 54.840 0.245 0.000 0.765 165 L CB -0.364 41.833 42.059 0.230 0.000 0.904 165 L HN 0.140 nan 8.230 nan 0.000 0.437 166 R N 0.130 120.713 120.500 0.138 0.000 2.285 166 R HA -0.051 4.290 4.340 0.001 0.000 0.213 166 R C 2.101 178.434 176.300 0.055 0.000 1.068 166 R CA 0.553 56.717 56.100 0.105 0.000 1.004 166 R CB -0.219 30.139 30.300 0.096 0.000 0.873 166 R HN 0.444 nan 8.270 nan 0.000 0.467 167 R N 0.305 120.822 120.500 0.029 0.000 2.148 167 R HA -0.082 4.259 4.340 0.001 0.000 0.223 167 R C 2.193 178.442 176.300 -0.085 0.000 1.088 167 R CA 1.757 57.847 56.100 -0.017 0.000 0.985 167 R CB 0.083 30.373 30.300 -0.016 0.000 0.880 167 R HN 0.159 nan 8.270 nan 0.000 0.451 168 K N 0.299 120.596 120.400 -0.171 0.000 2.362 168 K HA 0.184 4.504 4.320 0.001 0.000 0.203 168 K C 0.519 176.884 176.600 -0.391 0.000 1.198 168 K CA 0.159 56.221 56.287 -0.376 0.000 0.908 168 K CB 0.080 32.178 32.500 -0.671 0.000 1.236 168 K HN -0.031 nan 8.250 nan 0.000 0.487 169 F N 2.241 122.189 119.950 -0.003 0.000 2.420 169 F HA 0.283 4.810 4.527 0.001 0.000 0.352 169 F C 1.455 177.244 175.800 -0.018 0.000 1.108 169 F CA -0.889 57.105 58.000 -0.011 0.000 1.162 169 F CB 1.792 40.791 39.000 -0.001 0.000 1.118 169 F HN 0.155 nan 8.300 nan 0.000 0.510 170 E N 2.337 122.617 120.200 0.133 0.000 2.072 170 E HA -0.020 4.331 4.350 0.001 0.000 0.190 170 E C 0.440 177.057 176.600 0.028 0.000 0.982 170 E CA 1.021 57.447 56.400 0.045 0.000 0.803 170 E CB 0.201 29.898 29.700 -0.005 0.000 0.755 170 E HN 0.556 nan 8.360 nan 0.000 0.453 171 R N 0.170 120.665 120.500 -0.007 0.000 2.480 171 R HA 0.447 4.787 4.340 0.001 0.000 0.306 171 R C -0.895 175.447 176.300 0.071 0.000 0.958 171 R CA -0.564 55.501 56.100 -0.058 0.000 0.861 171 R CB 1.458 31.457 30.300 -0.501 0.000 1.171 171 R HN -0.106 nan 8.270 nan 0.000 0.445 172 I N 3.388 124.086 120.570 0.212 0.000 2.474 172 I HA 0.285 4.455 4.170 0.001 0.000 0.294 172 I C -0.930 175.378 176.117 0.319 0.000 1.005 172 I CA -0.724 60.685 61.300 0.182 0.000 1.113 172 I CB 1.843 39.862 38.000 0.032 0.000 1.289 172 I HN 0.360 nan 8.210 nan 0.000 0.436 173 L N 7.567 128.958 121.223 0.280 0.000 2.287 173 L HA 0.461 4.802 4.340 0.001 0.000 0.287 173 L C -1.394 175.588 176.870 0.186 0.000 1.022 173 L CA -0.330 54.637 54.840 0.211 0.000 0.814 173 L CB 0.713 42.936 42.059 0.272 0.000 1.217 173 L HN 0.513 nan 8.230 nan 0.000 0.420 174 Y N 5.247 125.552 120.300 0.008 0.000 2.335 174 Y HA 0.660 5.210 4.550 0.000 0.000 0.339 174 Y C -1.041 174.905 175.900 0.078 0.000 0.987 174 Y CA -0.601 57.515 58.100 0.028 0.000 1.140 174 Y CB 1.284 39.742 38.460 -0.004 0.000 1.173 174 Y HN 0.402 nan 8.280 nan 0.000 0.486 175 V N 6.616 126.320 119.914 -0.351 0.000 2.409 175 V HA 0.280 4.400 4.120 0.001 0.000 0.291 175 V C -0.915 174.893 176.094 -0.476 0.000 1.020 175 V CA -0.884 61.266 62.300 -0.250 0.000 0.848 175 V CB 1.598 33.405 31.823 -0.026 0.000 0.990 175 V HN 0.740 nan 8.190 nan 0.000 0.430 176 D N 4.583 124.812 120.400 -0.285 0.000 2.471 176 D HA 0.400 5.040 4.640 0.001 0.000 0.245 176 D C 0.146 176.529 176.300 0.139 0.000 1.116 176 D CA -0.306 53.611 54.000 -0.139 0.000 0.853 176 D CB 1.933 42.760 40.800 0.045 0.000 1.123 176 D HN 0.457 nan 8.370 nan 0.000 0.540 177 L N 2.387 123.709 121.223 0.165 0.000 2.728 177 L HA 0.170 4.511 4.340 0.001 0.000 0.238 177 L C 1.213 178.276 176.870 0.322 0.000 1.143 177 L CA -0.372 54.655 54.840 0.312 0.000 0.937 177 L CB 0.185 42.424 42.059 0.300 0.000 1.225 177 L HN 0.369 nan 8.230 nan 0.000 0.507 178 D N 0.879 121.443 120.400 0.273 0.000 2.364 178 D HA -0.101 4.539 4.640 0.001 0.000 0.236 178 D C 1.074 177.561 176.300 0.312 0.000 1.221 178 D CA 0.054 54.218 54.000 0.275 0.000 0.891 178 D CB 1.622 42.603 40.800 0.301 0.000 1.190 178 D HN -0.026 nan 8.370 nan 0.000 0.449 179 L N 2.769 124.088 121.223 0.159 0.000 2.131 179 L HA -0.101 4.240 4.340 0.001 0.000 0.210 179 L C 0.412 177.339 176.870 0.094 0.000 1.092 179 L CA 1.686 56.456 54.840 -0.116 0.000 0.759 179 L CB -0.387 41.463 42.059 -0.348 0.000 0.903 179 L HN 0.397 nan 8.230 nan 0.000 0.435 180 H N -1.382 117.979 119.070 0.485 0.000 2.472 180 H HA 0.234 4.791 4.556 0.001 0.000 0.335 180 H C -0.275 175.298 175.328 0.408 0.000 1.136 180 H CA -0.541 55.833 56.048 0.543 0.000 1.264 180 H CB 0.442 30.578 29.762 0.622 0.000 1.486 180 H HN 0.121 nan 8.280 nan 0.000 0.517 181 H N 1.852 121.042 119.070 0.200 0.000 3.070 181 H HA -0.030 4.527 4.556 0.001 0.000 0.313 181 H C 0.476 175.697 175.328 -0.179 0.000 0.997 181 H CA -0.134 55.747 56.048 -0.278 0.000 1.438 181 H CB 0.487 29.924 29.762 -0.543 0.000 1.455 181 H HN 0.964 nan 8.280 nan 0.000 0.575 182 G N 5.077 113.596 108.800 -0.468 0.000 3.197 182 G HA2 -0.109 3.852 3.960 0.001 0.000 0.257 182 G HA3 -0.109 3.852 3.960 0.001 0.000 0.257 182 G C 1.003 175.529 174.900 -0.622 0.000 0.835 182 G CA -0.018 44.787 45.100 -0.492 0.000 2.001 182 G HN 0.828 nan 8.290 nan 0.000 0.625 183 D N 1.170 121.134 120.400 -0.727 0.000 2.117 183 D HA -0.138 4.503 4.640 0.001 0.000 0.197 183 D C 2.237 178.449 176.300 -0.146 0.000 0.987 183 D CA 1.293 55.020 54.000 -0.455 0.000 0.829 183 D CB -0.807 39.917 40.800 -0.126 0.000 0.961 183 D HN 0.272 nan 8.370 nan 0.000 0.460 184 G N 0.631 109.389 108.800 -0.070 0.000 2.422 184 G HA2 -0.161 3.800 3.960 0.001 0.000 0.218 184 G HA3 -0.161 3.800 3.960 0.001 0.000 0.218 184 G C 1.896 176.760 174.900 -0.060 0.000 1.146 184 G CA 1.320 46.439 45.100 0.033 0.000 0.769 184 G HN 0.326 nan 8.290 nan 0.000 0.547 185 V N 0.622 120.455 119.914 -0.135 0.000 2.323 185 V HA -0.118 4.003 4.120 0.001 0.000 0.244 185 V C 2.505 178.574 176.094 -0.041 0.000 1.041 185 V CA 2.070 64.244 62.300 -0.209 0.000 1.025 185 V CB -0.472 31.031 31.823 -0.535 0.000 0.656 185 V HN 0.566 nan 8.190 nan 0.000 0.451 186 E N 0.524 120.717 120.200 -0.011 0.000 2.038 186 E HA -0.308 4.043 4.350 0.001 0.000 0.195 186 E C 1.875 178.538 176.600 0.106 0.000 1.000 186 E CA 1.936 58.392 56.400 0.093 0.000 0.803 186 E CB -0.151 29.611 29.700 0.103 0.000 0.750 186 E HN 0.594 nan 8.360 nan 0.000 0.448 187 D N 0.314 120.755 120.400 0.068 0.000 2.104 187 D HA -0.183 4.457 4.640 0.001 0.000 0.194 187 D C 1.875 178.217 176.300 0.069 0.000 0.994 187 D CA 1.543 55.605 54.000 0.102 0.000 0.830 187 D CB -0.538 40.322 40.800 0.100 0.000 0.959 187 D HN 0.351 nan 8.370 nan 0.000 0.452 188 A N -0.083 122.687 122.820 -0.083 0.000 1.908 188 A HA -0.161 4.160 4.320 0.001 0.000 0.218 188 A C 1.683 178.954 177.584 -0.521 0.000 1.181 188 A CA 1.213 53.024 52.037 -0.377 0.000 0.627 188 A CB -0.745 17.657 19.000 -0.996 0.000 0.818 188 A HN 0.279 nan 8.150 nan 0.000 0.445 189 F N -0.211 119.758 119.950 0.033 0.000 2.654 189 F HA 0.103 4.630 4.527 0.000 0.000 0.303 189 F C 2.128 178.005 175.800 0.127 0.000 1.099 189 F CA 0.379 58.417 58.000 0.064 0.000 1.270 189 F CB 0.320 39.326 39.000 0.009 0.000 1.024 189 F HN 0.247 nan 8.300 nan 0.000 0.548 190 S N -0.680 115.194 115.700 0.291 0.000 2.474 190 S HA -0.143 4.328 4.470 0.001 0.000 0.235 190 S C 1.402 176.092 174.600 0.150 0.000 0.997 190 S CA 0.947 59.276 58.200 0.215 0.000 0.949 190 S CB -0.785 62.513 63.200 0.163 0.000 0.766 190 S HN 0.418 nan 8.310 nan 0.000 0.517 191 F N 1.434 121.417 119.950 0.055 0.000 2.727 191 F HA 0.336 4.864 4.527 0.001 0.000 0.302 191 F C 1.374 177.182 175.800 0.015 0.000 1.097 191 F CA -0.072 57.943 58.000 0.025 0.000 1.330 191 F CB 0.601 39.611 39.000 0.016 0.000 1.084 191 F HN 0.187 nan 8.300 nan 0.000 0.578 192 T N -1.255 113.420 114.554 0.201 0.000 2.908 192 T HA 0.262 4.612 4.350 0.001 0.000 0.290 192 T C 0.852 175.524 174.700 -0.047 0.000 1.034 192 T CA -0.465 61.696 62.100 0.102 0.000 1.010 192 T CB 1.446 70.424 68.868 0.183 0.000 1.068 192 T HN 0.028 nan 8.240 nan 0.000 0.481 193 S N 2.513 118.087 115.700 -0.209 0.000 2.556 193 S HA 0.212 4.682 4.470 0.001 0.000 0.216 193 S C 1.235 175.850 174.600 0.025 0.000 0.970 193 S CA -0.406 57.456 58.200 -0.563 0.000 0.912 193 S CB 0.008 62.709 63.200 -0.831 0.000 0.790 193 S HN 0.667 nan 8.310 nan 0.000 0.504 194 K N 1.011 121.480 120.400 0.116 0.000 2.356 194 K HA 0.271 4.591 4.320 0.001 0.000 0.195 194 K C -0.266 176.511 176.600 0.295 0.000 1.037 194 K CA 0.304 56.706 56.287 0.190 0.000 1.014 194 K CB 0.565 33.128 32.500 0.104 0.000 0.815 194 K HN 0.261 nan 8.250 nan 0.000 0.507 195 V N 2.436 122.475 119.914 0.208 0.000 2.482 195 V HA 0.315 4.435 4.120 0.001 0.000 0.295 195 V C -0.708 175.378 176.094 -0.013 0.000 1.026 195 V CA -0.666 61.651 62.300 0.028 0.000 0.856 195 V CB 1.864 33.395 31.823 -0.488 0.000 1.001 195 V HN 0.139 nan 8.190 nan 0.000 0.424 196 M N 5.160 124.598 119.600 -0.270 0.000 2.238 196 M HA 0.603 5.083 4.480 0.001 0.000 0.350 196 M C -0.022 176.202 176.300 -0.127 0.000 1.138 196 M CA -0.157 54.907 55.300 -0.394 0.000 1.040 196 M CB 1.669 33.560 32.600 -1.182 0.000 1.639 196 M HN 0.815 nan 8.290 nan 0.000 0.451 197 T N 2.083 116.655 114.554 0.030 0.000 2.824 197 T HA 0.676 5.026 4.350 0.001 0.000 0.280 197 T C -0.746 174.048 174.700 0.157 0.000 0.995 197 T CA -0.783 61.430 62.100 0.189 0.000 1.009 197 T CB 1.371 70.408 68.868 0.281 0.000 0.955 197 T HN 0.457 nan 8.240 nan 0.000 0.452 198 V N 2.926 122.942 119.914 0.169 0.000 2.409 198 V HA 0.609 4.729 4.120 0.001 0.000 0.290 198 V C -0.110 176.088 176.094 0.173 0.000 1.017 198 V CA -0.697 61.684 62.300 0.135 0.000 0.841 198 V CB 1.564 33.438 31.823 0.085 0.000 1.003 198 V HN 1.073 nan 8.190 nan 0.000 0.426 199 S N 5.384 121.245 115.700 0.268 0.000 2.478 199 S HA 0.798 5.268 4.470 0.001 0.000 0.312 199 S C -0.957 173.869 174.600 0.376 0.000 1.094 199 S CA -0.446 58.003 58.200 0.414 0.000 1.081 199 S CB 0.891 64.468 63.200 0.628 0.000 1.007 199 S HN 0.487 nan 8.310 nan 0.000 0.475 200 L N 6.256 127.672 121.223 0.321 0.000 2.287 200 L HA 0.643 4.984 4.340 0.001 0.000 0.287 200 L C -0.336 176.794 176.870 0.433 0.000 1.022 200 L CA -0.101 54.845 54.840 0.176 0.000 0.814 200 L CB 1.169 43.270 42.059 0.071 0.000 1.217 200 L HN 0.884 nan 8.230 nan 0.000 0.420 201 H N 0.004 119.333 119.070 0.431 0.000 3.037 201 H HA 0.417 4.973 4.556 0.001 0.000 0.336 201 H C -0.994 174.626 175.328 0.487 0.000 1.323 201 H CA -1.291 55.031 56.048 0.456 0.000 1.159 201 H CB 0.844 30.860 29.762 0.424 0.000 1.882 201 H HN 0.338 nan 8.280 nan 0.000 0.535 202 K N 1.261 121.875 120.400 0.357 0.000 2.451 202 K HA 0.171 4.491 4.320 0.001 0.000 0.280 202 K C -1.388 175.480 176.600 0.447 0.000 1.020 202 K CA -0.083 56.328 56.287 0.207 0.000 1.008 202 K CB 0.248 32.459 32.500 -0.481 0.000 0.917 202 K HN 0.568 nan 8.250 nan 0.000 0.478 203 F N 3.763 123.835 119.950 0.202 0.000 2.513 203 F HA 0.295 4.822 4.527 0.000 0.000 0.358 203 F C -1.010 174.864 175.800 0.123 0.000 1.118 203 F CA -0.239 57.885 58.000 0.205 0.000 1.037 203 F CB 1.458 40.554 39.000 0.161 0.000 1.276 203 F HN 0.424 nan 8.300 nan 0.000 0.446 204 S N 6.887 122.416 115.700 -0.286 0.000 2.649 204 S HA 0.503 4.973 4.470 0.001 0.000 0.274 204 S C -2.958 171.511 174.600 -0.219 0.000 1.176 204 S CA -1.257 56.822 58.200 -0.201 0.000 0.988 204 S CB 1.405 64.572 63.200 -0.056 0.000 1.071 204 S HN 0.329 nan 8.310 nan 0.000 0.478 205 P HA 0.315 nan 4.420 nan 0.000 0.263 205 P C 0.943 178.213 177.300 -0.050 0.000 1.195 205 P CA 1.238 64.235 63.100 -0.171 0.000 0.762 205 P CB 0.441 32.074 31.700 -0.113 0.000 0.799 206 G N 2.431 111.213 108.800 -0.030 0.000 2.254 206 G HA2 -0.252 3.708 3.960 0.001 0.000 0.225 206 G HA3 -0.252 3.708 3.960 0.001 0.000 0.225 206 G C -0.124 174.827 174.900 0.084 0.000 1.003 206 G CA -0.504 44.612 45.100 0.026 0.000 0.622 206 G HN 0.528 nan 8.290 nan 0.000 0.507 207 F N 2.347 122.279 119.950 -0.031 0.000 2.411 207 F HA 0.712 5.240 4.527 0.001 0.000 0.350 207 F C 0.455 176.310 175.800 0.092 0.000 1.114 207 F CA -1.739 56.289 58.000 0.046 0.000 1.135 207 F CB 0.462 39.480 39.000 0.031 0.000 1.120 207 F HN 0.143 nan 8.300 nan 0.000 0.495 208 F N 8.863 128.379 119.950 -0.724 0.000 2.553 208 F HA 0.264 4.791 4.527 0.000 0.000 0.356 208 F C -1.484 174.177 175.800 -0.231 0.000 1.142 208 F CA -1.625 56.089 58.000 -0.478 0.000 1.322 208 F CB 0.759 39.382 39.000 -0.628 0.000 1.126 208 F HN 0.404 nan 8.300 nan 0.000 0.599 209 P HA 0.187 nan 4.420 nan 0.000 0.255 209 P C 0.664 177.673 177.300 -0.485 0.000 1.248 209 P CA 1.141 63.430 63.100 -1.350 0.000 0.807 209 P CB 0.496 31.354 31.700 -1.403 0.000 1.150 210 G N -0.219 108.467 108.800 -0.190 0.000 2.195 210 G HA2 -0.217 3.743 3.960 0.001 0.000 0.246 210 G HA3 -0.217 3.743 3.960 0.001 0.000 0.246 210 G C 0.376 175.317 174.900 0.067 0.000 0.984 210 G CA 0.452 45.486 45.100 -0.110 0.000 0.633 210 G HN 0.552 nan 8.290 nan 0.000 0.525 211 T N -1.763 112.856 114.554 0.108 0.000 2.881 211 T HA 0.668 5.019 4.350 0.001 0.000 0.278 211 T C 1.184 175.858 174.700 -0.043 0.000 0.982 211 T CA 0.338 62.530 62.100 0.153 0.000 0.989 211 T CB 1.891 70.854 68.868 0.158 0.000 1.058 211 T HN 2.122 nan 8.240 nan 0.000 0.529 212 G N 0.758 109.361 108.800 -0.328 0.000 2.467 212 G HA2 -0.106 3.854 3.960 0.001 0.000 0.242 212 G HA3 -0.106 3.854 3.960 0.001 0.000 0.242 212 G C -0.463 174.102 174.900 -0.559 0.000 1.127 212 G CA -0.334 44.311 45.100 -0.759 0.000 0.924 212 G HN 0.969 nan 8.290 nan 0.000 0.499 213 D N -0.842 119.119 120.400 -0.731 0.000 2.357 213 D HA 0.356 4.997 4.640 0.001 0.000 0.242 213 D C 1.692 177.737 176.300 -0.424 0.000 1.153 213 D CA 0.054 53.480 54.000 -0.956 0.000 0.918 213 D CB 1.559 41.941 40.800 -0.697 0.000 1.181 213 D HN 0.160 nan 8.370 nan 0.000 0.435 214 V N 2.082 121.781 119.914 -0.357 0.000 2.453 214 V HA -0.271 3.849 4.120 0.001 0.000 0.252 214 V C 2.003 178.093 176.094 -0.006 0.000 1.068 214 V CA 2.775 64.987 62.300 -0.146 0.000 1.070 214 V CB -0.449 31.282 31.823 -0.152 0.000 0.664 214 V HN 0.687 nan 8.190 nan 0.000 0.461 215 S N -1.362 114.271 115.700 -0.112 0.000 2.555 215 S HA -0.021 4.449 4.470 0.001 0.000 0.230 215 S C 0.573 175.203 174.600 0.051 0.000 0.978 215 S CA 0.209 58.438 58.200 0.048 0.000 0.934 215 S CB -0.335 62.819 63.200 -0.076 0.000 0.766 215 S HN 0.637 nan 8.310 nan 0.000 0.533 216 D N 2.443 122.833 120.400 -0.017 0.000 2.352 216 D HA 0.266 4.906 4.640 0.001 0.000 0.245 216 D C 0.891 177.206 176.300 0.025 0.000 1.224 216 D CA 0.049 54.042 54.000 -0.011 0.000 0.879 216 D CB 1.640 42.420 40.800 -0.033 0.000 1.057 216 D HN 0.318 nan 8.370 nan 0.000 0.491 217 V N -0.105 119.804 119.914 -0.009 0.000 3.398 217 V HA 0.526 4.646 4.120 0.001 0.000 0.298 217 V C 0.769 176.830 176.094 -0.055 0.000 1.496 217 V CA 0.361 62.650 62.300 -0.019 0.000 1.044 217 V CB 0.070 31.847 31.823 -0.076 0.000 0.880 217 V HN 0.671 nan 8.190 nan 0.000 0.443 218 G N 0.768 109.530 108.800 -0.064 0.000 2.592 218 G HA2 0.190 4.150 3.960 0.001 0.000 0.684 218 G HA3 0.190 4.150 3.960 0.001 0.000 0.684 218 G C -1.669 173.100 174.900 -0.217 0.000 1.291 218 G CA -0.227 44.820 45.100 -0.088 0.000 0.891 218 G HN 0.540 nan 8.290 nan 0.000 0.544 219 L N 0.932 121.968 121.223 -0.311 0.000 2.445 219 L HA 0.799 5.139 4.340 0.001 0.000 0.262 219 L C 1.409 177.997 176.870 -0.471 0.000 0.974 219 L CA 1.245 55.800 54.840 -0.475 0.000 0.822 219 L CB 0.973 42.559 42.059 -0.789 0.000 1.339 219 L HN 2.732 nan 8.230 nan 0.000 0.409 220 G N 1.693 110.290 108.800 -0.338 0.000 2.611 220 G HA2 -0.365 3.596 3.960 0.001 0.000 0.301 220 G HA3 -0.365 3.596 3.960 0.001 0.000 0.301 220 G C 0.861 175.694 174.900 -0.113 0.000 1.233 220 G CA 1.409 46.395 45.100 -0.189 0.000 0.993 220 G HN 1.016 nan 8.290 nan 0.000 0.553 221 K N 0.213 120.583 120.400 -0.050 0.000 2.360 221 K HA 0.293 4.614 4.320 0.001 0.000 0.201 221 K C 2.785 179.323 176.600 -0.104 0.000 1.046 221 K CA 2.147 58.410 56.287 -0.040 0.000 0.945 221 K CB -0.598 31.896 32.500 -0.009 0.000 0.750 221 K HN 1.952 nan 8.250 nan 0.000 0.464 222 G N -0.035 108.711 108.800 -0.091 0.000 3.042 222 G HA2 0.078 4.038 3.960 0.001 0.000 0.212 222 G HA3 0.078 4.038 3.960 0.001 0.000 0.212 222 G C 0.706 175.631 174.900 0.041 0.000 1.166 222 G CA -0.129 44.929 45.100 -0.070 0.000 0.767 222 G HN 0.561 nan 8.290 nan 0.000 0.546 223 R N -0.324 120.155 120.500 -0.035 0.000 2.538 223 R HA 0.130 4.470 4.340 0.001 0.000 0.282 223 R C 0.141 176.469 176.300 0.047 0.000 1.009 223 R CA 0.074 56.068 56.100 -0.176 0.000 1.063 223 R CB -0.116 29.951 30.300 -0.389 0.000 0.945 223 R HN 0.376 nan 8.270 nan 0.000 0.414 224 Y N 1.006 121.354 120.300 0.079 0.000 4.936 224 Y HA -0.322 4.229 4.550 0.000 0.000 0.260 224 Y C -0.029 175.815 175.900 -0.093 0.000 0.928 224 Y CA 1.109 59.196 58.100 -0.020 0.000 1.869 224 Y CB -2.181 36.235 38.460 -0.074 0.000 1.344 224 Y HN 0.691 nan 8.280 nan 0.000 0.521 225 Y N -0.487 119.847 120.300 0.055 0.000 2.468 225 Y HA 0.470 5.020 4.550 0.001 0.000 0.268 225 Y C 0.746 176.624 175.900 -0.037 0.000 1.177 225 Y CA 0.062 58.151 58.100 -0.018 0.000 1.265 225 Y CB 0.708 39.166 38.460 -0.002 0.000 1.103 225 Y HN -0.048 nan 8.280 nan 0.000 0.522 226 S N 0.397 116.164 115.700 0.112 0.000 2.449 226 S HA 0.605 5.076 4.470 0.001 0.000 0.310 226 S C -0.544 174.105 174.600 0.082 0.000 1.096 226 S CA -0.629 57.631 58.200 0.100 0.000 1.095 226 S CB 1.658 64.924 63.200 0.110 0.000 1.007 226 S HN -0.142 nan 8.310 nan 0.000 0.474 227 V N 4.587 124.555 119.914 0.090 0.000 2.495 227 V HA 0.531 4.651 4.120 0.001 0.000 0.298 227 V C -0.485 175.690 176.094 0.135 0.000 1.031 227 V CA -0.833 61.516 62.300 0.082 0.000 0.871 227 V CB 1.837 33.684 31.823 0.040 0.000 0.988 227 V HN 0.782 nan 8.190 nan 0.000 0.432 228 N N 2.739 121.505 118.700 0.110 0.000 2.352 228 N HA 0.497 5.237 4.740 0.001 0.000 0.291 228 N C -1.220 174.280 175.510 -0.017 0.000 1.040 228 N CA -0.322 52.808 53.050 0.133 0.000 0.864 228 N CB 2.614 41.175 38.487 0.123 0.000 1.440 228 N HN 0.363 nan 8.380 nan 0.000 0.483 229 V N 3.531 123.374 119.914 -0.118 0.000 2.266 229 V HA 0.296 4.416 4.120 0.001 0.000 0.271 229 V C -2.166 173.707 176.094 -0.369 0.000 1.032 229 V CA -1.563 60.616 62.300 -0.202 0.000 0.806 229 V CB 1.023 32.748 31.823 -0.163 0.000 1.052 229 V HN 0.461 nan 8.190 nan 0.000 0.449 230 P HA 0.374 nan 4.420 nan 0.000 0.275 230 P C -0.490 176.790 177.300 -0.034 0.000 1.276 230 P CA 0.220 63.214 63.100 -0.176 0.000 0.782 230 P CB 1.042 32.648 31.700 -0.156 0.000 0.851 231 I N 2.880 123.484 120.570 0.058 0.000 2.750 231 I HA 0.347 4.517 4.170 0.001 0.000 0.308 231 I C 0.618 176.844 176.117 0.183 0.000 1.016 231 I CA -0.953 60.383 61.300 0.059 0.000 1.098 231 I CB 1.657 39.615 38.000 -0.071 0.000 1.279 231 I HN 0.155 nan 8.210 nan 0.000 0.454 232 Q N 1.844 121.700 119.800 0.093 0.000 2.297 232 Q HA 0.352 4.693 4.340 0.001 0.000 0.269 232 Q C -1.195 174.888 176.000 0.137 0.000 1.051 232 Q CA -0.934 54.940 55.803 0.118 0.000 0.869 232 Q CB 1.125 29.895 28.738 0.053 0.000 1.346 232 Q HN 0.403 nan 8.270 nan 0.000 0.457 233 D N 0.022 120.501 120.400 0.131 0.000 2.515 233 D HA 0.179 4.819 4.640 0.001 0.000 0.232 233 D C 1.073 177.421 176.300 0.079 0.000 1.157 233 D CA 1.972 56.057 54.000 0.142 0.000 0.871 233 D CB 0.380 41.212 40.800 0.053 0.000 1.200 233 D HN 0.759 nan 8.370 nan 0.000 0.466 234 G N 1.242 110.098 108.800 0.093 0.000 2.175 234 G HA2 -0.307 3.654 3.960 0.001 0.000 0.244 234 G HA3 -0.307 3.654 3.960 0.001 0.000 0.244 234 G C 0.584 175.467 174.900 -0.028 0.000 0.982 234 G CA 0.023 45.139 45.100 0.027 0.000 0.641 234 G HN 0.565 nan 8.290 nan 0.000 0.527 235 I N 1.648 122.150 120.570 -0.114 0.000 2.845 235 I HA 0.247 4.417 4.170 0.001 0.000 0.296 235 I C 0.807 176.859 176.117 -0.108 0.000 1.216 235 I CA 0.815 62.010 61.300 -0.174 0.000 1.438 235 I CB 0.467 38.242 38.000 -0.375 0.000 1.342 235 I HN 0.363 nan 8.210 nan 0.000 0.577 236 Q N 4.524 124.289 119.800 -0.058 0.000 2.418 236 Q HA 0.200 4.540 4.340 0.001 0.000 0.276 236 Q C 0.355 176.350 176.000 -0.009 0.000 1.081 236 Q CA -0.895 54.885 55.803 -0.039 0.000 0.864 236 Q CB 1.189 29.911 28.738 -0.026 0.000 1.384 236 Q HN 0.597 nan 8.270 nan 0.000 0.467 237 D N 1.061 121.451 120.400 -0.017 0.000 2.126 237 D HA -0.229 4.411 4.640 0.001 0.000 0.190 237 D C 1.452 177.805 176.300 0.088 0.000 1.001 237 D CA 1.577 55.585 54.000 0.013 0.000 0.841 237 D CB 0.161 40.947 40.800 -0.024 0.000 0.949 237 D HN 0.534 nan 8.370 nan 0.000 0.446 238 E N 0.030 120.265 120.200 0.057 0.000 2.049 238 E HA -0.228 4.123 4.350 0.001 0.000 0.198 238 E C 1.956 178.613 176.600 0.095 0.000 1.007 238 E CA 1.312 57.758 56.400 0.077 0.000 0.809 238 E CB 0.085 29.807 29.700 0.036 0.000 0.749 238 E HN -0.025 nan 8.360 nan 0.000 0.450 239 K N -0.494 119.939 120.400 0.054 0.000 2.116 239 K HA -0.103 4.217 4.320 0.001 0.000 0.203 239 K C 1.838 178.446 176.600 0.012 0.000 1.052 239 K CA 0.675 56.969 56.287 0.013 0.000 0.952 239 K CB -0.401 32.087 32.500 -0.020 0.000 0.729 239 K HN 0.156 nan 8.250 nan 0.000 0.446 240 Y N -0.478 119.778 120.300 -0.073 0.000 2.181 240 Y HA -0.289 4.261 4.550 0.000 0.000 0.288 240 Y C 2.011 177.895 175.900 -0.028 0.000 1.146 240 Y CA 1.852 59.901 58.100 -0.085 0.000 1.164 240 Y CB -0.300 38.107 38.460 -0.088 0.000 0.982 240 Y HN 0.224 nan 8.280 nan 0.000 0.515 241 Y N 0.479 120.853 120.300 0.123 0.000 2.200 241 Y HA -0.260 4.290 4.550 0.000 0.000 0.290 241 Y C 2.578 178.422 175.900 -0.092 0.000 1.137 241 Y CA 1.931 60.046 58.100 0.025 0.000 1.163 241 Y CB -0.378 38.101 38.460 0.032 0.000 0.988 241 Y HN 0.168 nan 8.280 nan 0.000 0.518 242 Q N 0.275 119.952 119.800 -0.205 0.000 2.045 242 Q HA -0.250 4.090 4.340 0.001 0.000 0.206 242 Q C 2.244 178.046 176.000 -0.329 0.000 0.991 242 Q CA 2.560 58.196 55.803 -0.279 0.000 0.851 242 Q CB -0.288 28.378 28.738 -0.121 0.000 0.911 242 Q HN 0.608 nan 8.270 nan 0.000 0.418 243 I N -0.274 120.129 120.570 -0.279 0.000 2.179 243 I HA -0.325 3.846 4.170 0.001 0.000 0.242 243 I C 2.799 178.713 176.117 -0.339 0.000 1.088 243 I CA 0.779 61.907 61.300 -0.286 0.000 1.357 243 I CB -0.495 37.327 38.000 -0.297 0.000 1.051 243 I HN 0.383 nan 8.210 nan 0.000 0.409 244 C N 1.027 120.076 119.300 -0.418 0.000 2.432 244 C HA -0.181 4.279 4.460 0.001 0.000 0.277 244 C C 2.886 177.639 174.990 -0.394 0.000 1.249 244 C CA 1.323 60.123 59.018 -0.363 0.000 1.725 244 C CB -0.950 26.621 27.740 -0.282 0.000 2.028 244 C HN 0.521 nan 8.230 nan 0.000 0.477 245 E N 0.104 119.906 120.200 -0.664 0.000 2.077 245 E HA -0.184 4.166 4.350 0.001 0.000 0.193 245 E C 2.351 178.668 176.600 -0.472 0.000 0.989 245 E CA 1.486 57.373 56.400 -0.855 0.000 0.800 245 E CB -0.394 28.582 29.700 -1.206 0.000 0.746 245 E HN 0.694 nan 8.360 nan 0.000 0.452 246 S N -0.282 115.211 115.700 -0.345 0.000 2.356 246 S HA -0.123 4.347 4.470 0.001 0.000 0.223 246 S C 2.128 176.660 174.600 -0.112 0.000 1.032 246 S CA 1.450 59.536 58.200 -0.190 0.000 1.005 246 S CB -0.214 62.887 63.200 -0.166 0.000 0.867 246 S HN 0.170 nan 8.310 nan 0.000 0.449 247 V N 2.218 122.060 119.914 -0.120 0.000 2.307 247 V HA -0.113 4.008 4.120 0.001 0.000 0.245 247 V C 2.500 178.614 176.094 0.032 0.000 1.045 247 V CA 1.822 64.093 62.300 -0.050 0.000 1.024 247 V CB -0.737 31.048 31.823 -0.064 0.000 0.651 247 V HN 0.471 nan 8.190 nan 0.000 0.449 248 L N 0.244 121.501 121.223 0.058 0.000 1.994 248 L HA -0.231 4.110 4.340 0.001 0.000 0.208 248 L C 3.069 180.199 176.870 0.433 0.000 1.071 248 L CA 2.375 57.396 54.840 0.302 0.000 0.745 248 L CB -1.144 41.144 42.059 0.380 0.000 0.892 248 L HN 0.440 nan 8.230 nan 0.000 0.431 249 K N 0.108 120.716 120.400 0.346 0.000 2.059 249 K HA -0.245 4.075 4.320 0.001 0.000 0.212 249 K C 1.872 178.619 176.600 0.245 0.000 1.050 249 K CA 1.945 58.463 56.287 0.385 0.000 0.927 249 K CB -0.878 31.770 32.500 0.247 0.000 0.714 249 K HN 0.401 nan 8.250 nan 0.000 0.447 250 E N 0.187 120.467 120.200 0.133 0.000 2.107 250 E HA -0.060 4.291 4.350 0.001 0.000 0.191 250 E C 2.212 178.850 176.600 0.064 0.000 0.982 250 E CA 1.105 57.547 56.400 0.070 0.000 0.809 250 E CB -0.463 29.247 29.700 0.017 0.000 0.756 250 E HN 0.333 nan 8.360 nan 0.000 0.459 251 V N 1.076 121.046 119.914 0.094 0.000 2.261 251 V HA -0.281 3.839 4.120 0.001 0.000 0.246 251 V C 2.233 178.370 176.094 0.071 0.000 1.047 251 V CA 1.909 64.254 62.300 0.075 0.000 1.015 251 V CB -0.628 31.254 31.823 0.099 0.000 0.642 251 V HN 0.225 nan 8.190 nan 0.000 0.446 252 Y N 1.421 121.665 120.300 -0.093 0.000 2.081 252 Y HA -0.361 4.189 4.550 0.000 0.000 0.280 252 Y C 2.674 178.447 175.900 -0.212 0.000 1.163 252 Y CA 3.019 60.904 58.100 -0.359 0.000 1.135 252 Y CB -0.818 37.278 38.460 -0.607 0.000 0.970 252 Y HN 0.326 nan 8.280 nan 0.000 0.498 253 Q N -0.154 119.622 119.800 -0.039 0.000 2.119 253 Q HA -0.003 4.337 4.340 0.001 0.000 0.201 253 Q C 2.353 178.277 176.000 -0.127 0.000 0.972 253 Q CA 2.046 57.791 55.803 -0.096 0.000 0.847 253 Q CB -1.314 27.436 28.738 0.019 0.000 0.903 253 Q HN 0.688 nan 8.270 nan 0.000 0.433 254 A N -1.370 121.407 122.820 -0.071 0.000 1.943 254 A HA 0.292 4.612 4.320 0.001 0.000 0.213 254 A C 1.979 179.557 177.584 -0.010 0.000 1.181 254 A CA 1.273 53.279 52.037 -0.052 0.000 0.653 254 A CB -0.192 18.779 19.000 -0.049 0.000 0.833 254 A HN 0.619 nan 8.150 nan 0.000 0.451 255 F N 0.479 120.318 119.950 -0.185 0.000 2.387 255 F HA 0.158 4.685 4.527 0.000 0.000 0.294 255 F C 0.863 176.545 175.800 -0.196 0.000 1.093 255 F CA 0.701 58.613 58.000 -0.146 0.000 1.420 255 F CB -0.133 38.800 39.000 -0.112 0.000 1.086 255 F HN 0.452 nan 8.300 nan 0.000 0.531 256 N N 1.395 119.853 118.700 -0.403 0.000 2.671 256 N HA -0.137 4.603 4.740 0.001 0.000 0.261 256 N C -2.649 172.525 175.510 -0.559 0.000 1.053 256 N CA 0.043 52.736 53.050 -0.596 0.000 0.732 256 N CB -0.631 37.586 38.487 -0.449 0.000 0.887 256 N HN 0.085 nan 8.380 nan 0.000 0.546 257 P HA 0.113 nan 4.420 nan 0.000 0.275 257 P C 0.243 177.434 177.300 -0.181 0.000 1.228 257 P CA -0.177 62.776 63.100 -0.245 0.000 0.786 257 P CB 1.008 32.754 31.700 0.076 0.000 0.927 258 K N 0.896 121.223 120.400 -0.122 0.000 2.242 258 K HA 0.338 4.658 4.320 0.001 0.000 0.200 258 K C 0.717 177.182 176.600 -0.226 0.000 1.050 258 K CA 0.670 56.923 56.287 -0.057 0.000 0.981 258 K CB -0.002 32.561 32.500 0.106 0.000 0.795 258 K HN 0.643 nan 8.250 nan 0.000 0.477 259 A N -0.563 122.109 122.820 -0.246 0.000 2.587 259 A HA 0.690 5.010 4.320 0.001 0.000 0.293 259 A C -1.455 176.081 177.584 -0.081 0.000 1.087 259 A CA -0.691 51.117 52.037 -0.383 0.000 0.692 259 A CB 1.693 20.214 19.000 -0.798 0.000 1.291 259 A HN -0.150 nan 8.150 nan 0.000 0.407 260 V N 0.715 120.606 119.914 -0.038 0.000 2.588 260 V HA 0.578 4.698 4.120 0.001 0.000 0.304 260 V C -0.671 175.447 176.094 0.040 0.000 1.042 260 V CA -0.555 61.795 62.300 0.083 0.000 0.877 260 V CB 1.706 33.648 31.823 0.198 0.000 0.996 260 V HN 0.719 nan 8.190 nan 0.000 0.425 261 V N 5.640 125.606 119.914 0.086 0.000 2.417 261 V HA 0.566 4.686 4.120 0.001 0.000 0.291 261 V C -0.692 175.408 176.094 0.010 0.000 1.024 261 V CA -0.584 61.773 62.300 0.094 0.000 0.861 261 V CB 1.666 33.627 31.823 0.230 0.000 0.985 261 V HN 0.638 nan 8.190 nan 0.000 0.436 262 L N 4.520 125.707 121.223 -0.060 0.000 2.406 262 L HA 0.521 4.861 4.340 0.001 0.000 0.270 262 L C -0.492 176.291 176.870 -0.145 0.000 0.982 262 L CA 0.009 54.768 54.840 -0.136 0.000 0.843 262 L CB 1.703 43.715 42.059 -0.078 0.000 1.225 262 L HN 0.676 nan 8.230 nan 0.000 0.412 263 Q N 5.243 124.913 119.800 -0.216 0.000 2.303 263 Q HA 0.394 4.734 4.340 0.001 0.000 0.257 263 Q C -0.957 175.020 176.000 -0.038 0.000 0.941 263 Q CA -0.233 55.488 55.803 -0.137 0.000 0.931 263 Q CB 1.280 29.935 28.738 -0.138 0.000 1.215 263 Q HN 0.841 nan 8.270 nan 0.000 0.437 264 L N 3.431 124.666 121.223 0.020 0.000 3.141 264 L HA 0.349 4.689 4.340 0.001 0.000 0.263 264 L C 0.905 177.973 176.870 0.329 0.000 1.312 264 L CA -0.683 54.262 54.840 0.176 0.000 1.012 264 L CB 0.768 42.985 42.059 0.262 0.000 1.408 264 L HN 0.610 nan 8.230 nan 0.000 0.559 265 G N 0.223 109.150 108.800 0.212 0.000 2.224 265 G HA2 0.183 4.143 3.960 0.001 0.000 0.239 265 G HA3 0.183 4.143 3.960 0.001 0.000 0.239 265 G C 0.823 175.878 174.900 0.258 0.000 1.240 265 G CA 0.341 45.607 45.100 0.276 0.000 0.896 265 G HN 0.500 nan 8.290 nan 0.000 0.496 266 A N 1.903 124.820 122.820 0.162 0.000 2.379 266 A HA 0.221 4.542 4.320 0.001 0.000 0.236 266 A C 1.512 179.014 177.584 -0.137 0.000 1.272 266 A CA 0.704 52.684 52.037 -0.095 0.000 0.886 266 A CB 0.054 18.734 19.000 -0.534 0.000 0.962 266 A HN 0.623 nan 8.150 nan 0.000 0.504 267 D N -0.454 119.906 120.400 -0.067 0.000 2.363 267 D HA -0.105 4.535 4.640 0.001 0.000 0.226 267 D C 1.335 177.624 176.300 -0.019 0.000 1.020 267 D CA 1.268 55.260 54.000 -0.013 0.000 0.892 267 D CB -0.938 39.954 40.800 0.152 0.000 0.900 267 D HN 0.389 nan 8.370 nan 0.000 0.531 268 T N -2.413 112.134 114.554 -0.012 0.000 3.100 268 T HA 0.124 4.474 4.350 0.001 0.000 0.253 268 T C 0.892 175.619 174.700 0.045 0.000 1.118 268 T CA -0.341 61.789 62.100 0.050 0.000 1.058 268 T CB -0.005 68.957 68.868 0.158 0.000 0.953 268 T HN 0.002 nan 8.240 nan 0.000 0.515 269 I N 2.605 123.159 120.570 -0.026 0.000 2.395 269 I HA 0.445 4.616 4.170 0.001 0.000 0.289 269 I C 1.045 177.134 176.117 -0.048 0.000 1.023 269 I CA -1.354 59.908 61.300 -0.062 0.000 1.350 269 I CB 0.201 38.129 38.000 -0.120 0.000 1.409 269 I HN 0.291 nan 8.210 nan 0.000 0.507 270 A N 4.910 127.703 122.820 -0.045 0.000 2.610 270 A HA 0.225 4.545 4.320 0.001 0.000 0.250 270 A C 1.392 178.946 177.584 -0.051 0.000 0.978 270 A CA 1.089 53.101 52.037 -0.041 0.000 0.827 270 A CB -0.659 18.314 19.000 -0.045 0.000 0.867 270 A HN 1.495 nan 8.150 nan 0.000 0.495 271 G N 1.518 110.297 108.800 -0.035 0.000 2.175 271 G HA2 -0.217 3.743 3.960 0.001 0.000 0.244 271 G HA3 -0.217 3.743 3.960 0.001 0.000 0.244 271 G C 0.111 174.993 174.900 -0.030 0.000 0.982 271 G CA 0.382 45.458 45.100 -0.041 0.000 0.641 271 G HN 1.110 nan 8.290 nan 0.000 0.527 272 D N 1.327 121.718 120.400 -0.015 0.000 2.424 272 D HA 0.248 4.888 4.640 0.001 0.000 0.244 272 D C -0.309 176.026 176.300 0.057 0.000 1.134 272 D CA -0.788 53.226 54.000 0.024 0.000 0.881 272 D CB 1.563 42.386 40.800 0.038 0.000 1.191 272 D HN 0.168 nan 8.370 nan 0.000 0.445 273 P HA -0.095 nan 4.420 nan 0.000 0.226 273 P C 1.602 178.958 177.300 0.093 0.000 1.153 273 P CA 0.619 63.764 63.100 0.075 0.000 0.777 273 P CB 0.243 31.989 31.700 0.076 0.000 0.794 274 M N -1.029 118.656 119.600 0.142 0.000 2.279 274 M HA -0.057 4.423 4.480 0.001 0.000 0.264 274 M C 0.971 177.322 176.300 0.084 0.000 1.062 274 M CA 0.798 56.188 55.300 0.151 0.000 1.099 274 M CB -0.851 31.891 32.600 0.238 0.000 1.394 274 M HN -0.056 nan 8.290 nan 0.000 0.426 275 C N 0.847 120.181 119.300 0.057 0.000 4.028 275 C HA -0.219 4.241 4.460 0.001 0.000 0.300 275 C C 1.468 176.467 174.990 0.016 0.000 1.399 275 C CA 0.553 59.591 59.018 0.033 0.000 2.051 275 C CB -2.074 25.686 27.740 0.033 0.000 1.318 275 C HN 0.718 nan 8.230 nan 0.000 0.696 276 S N -0.997 114.696 115.700 -0.012 0.000 2.783 276 S HA 0.384 4.854 4.470 0.001 0.000 0.205 276 S C 0.631 175.326 174.600 0.158 0.000 0.910 276 S CA 0.314 58.488 58.200 -0.044 0.000 0.861 276 S CB -0.117 62.898 63.200 -0.308 0.000 0.830 276 S HN 0.652 nan 8.310 nan 0.000 0.630 277 F N 1.936 121.850 119.950 -0.060 0.000 2.408 277 F HA 0.290 4.817 4.527 0.001 0.000 0.303 277 F C 1.128 176.898 175.800 -0.050 0.000 1.268 277 F CA -0.440 57.534 58.000 -0.045 0.000 1.218 277 F CB 0.324 39.297 39.000 -0.045 0.000 1.283 277 F HN 0.167 nan 8.300 nan 0.000 0.545 278 N N 1.107 119.886 118.700 0.131 0.000 2.598 278 N HA 0.126 4.866 4.740 0.001 0.000 0.295 278 N C -0.878 174.619 175.510 -0.022 0.000 1.729 278 N CA -0.119 52.950 53.050 0.032 0.000 0.877 278 N CB 0.166 38.660 38.487 0.012 0.000 1.405 278 N HN 0.307 nan 8.380 nan 0.000 0.491 279 M N 0.422 119.999 119.600 -0.037 0.000 2.228 279 M HA 0.245 4.726 4.480 0.001 0.000 0.326 279 M C 1.125 177.365 176.300 -0.100 0.000 1.122 279 M CA -0.026 55.211 55.300 -0.106 0.000 1.161 279 M CB 0.475 32.969 32.600 -0.177 0.000 1.437 279 M HN 0.264 nan 8.290 nan 0.000 0.465 280 T N -1.736 112.746 114.554 -0.120 0.000 2.950 280 T HA 0.528 4.879 4.350 0.001 0.000 0.288 280 T C -2.285 172.314 174.700 -0.169 0.000 1.035 280 T CA -1.847 60.164 62.100 -0.148 0.000 1.028 280 T CB 1.799 70.571 68.868 -0.160 0.000 1.109 280 T HN 0.320 nan 8.240 nan 0.000 0.514 281 P HA -0.040 nan 4.420 nan 0.000 0.221 281 P C 1.596 178.789 177.300 -0.178 0.000 1.145 281 P CA 0.401 63.388 63.100 -0.189 0.000 0.795 281 P CB -0.115 31.410 31.700 -0.292 0.000 0.775 282 V N -0.275 119.431 119.914 -0.347 0.000 2.427 282 V HA -0.153 3.968 4.120 0.001 0.000 0.248 282 V C 2.551 178.630 176.094 -0.026 0.000 1.051 282 V CA 2.478 64.680 62.300 -0.164 0.000 1.048 282 V CB -1.780 29.914 31.823 -0.215 0.000 0.666 282 V HN 0.180 nan 8.190 nan 0.000 0.456 283 G N -0.286 108.476 108.800 -0.062 0.000 2.403 283 G HA2 -0.143 3.817 3.960 0.001 0.000 0.216 283 G HA3 -0.143 3.817 3.960 0.001 0.000 0.216 283 G C 1.553 176.470 174.900 0.029 0.000 1.154 283 G CA 0.658 45.739 45.100 -0.031 0.000 0.784 283 G HN 0.483 nan 8.290 nan 0.000 0.538 284 I N 1.451 122.032 120.570 0.017 0.000 2.315 284 I HA 0.016 4.186 4.170 0.001 0.000 0.248 284 I C 3.005 179.203 176.117 0.135 0.000 1.117 284 I CA 1.097 62.447 61.300 0.083 0.000 1.404 284 I CB -0.285 37.752 38.000 0.061 0.000 1.071 284 I HN 0.184 nan 8.210 nan 0.000 0.419 285 G N 0.345 109.245 108.800 0.167 0.000 2.450 285 G HA2 -0.256 3.704 3.960 0.001 0.000 0.220 285 G HA3 -0.256 3.704 3.960 0.001 0.000 0.220 285 G C 1.748 176.675 174.900 0.046 0.000 1.130 285 G CA 0.674 45.874 45.100 0.166 0.000 0.760 285 G HN 0.282 nan 8.290 nan 0.000 0.557 286 K N -0.509 119.870 120.400 -0.035 0.000 2.026 286 K HA -0.091 4.229 4.320 0.001 0.000 0.208 286 K C 2.668 179.253 176.600 -0.026 0.000 1.048 286 K CA 1.363 57.514 56.287 -0.228 0.000 0.929 286 K CB -0.322 31.751 32.500 -0.712 0.000 0.713 286 K HN 0.364 nan 8.250 nan 0.000 0.439 287 C N 0.476 119.873 119.300 0.162 0.000 2.429 287 C HA -0.109 4.352 4.460 0.001 0.000 0.277 287 C C 2.498 177.566 174.990 0.130 0.000 1.262 287 C CA 0.274 59.455 59.018 0.272 0.000 1.733 287 C CB -0.799 27.117 27.740 0.293 0.000 2.010 287 C HN 0.500 nan 8.230 nan 0.000 0.483 288 L N 1.547 122.816 121.223 0.078 0.000 2.017 288 L HA -0.107 4.234 4.340 0.001 0.000 0.208 288 L C 2.415 179.249 176.870 -0.059 0.000 1.073 288 L CA 1.920 56.764 54.840 0.006 0.000 0.745 288 L CB -0.766 41.317 42.059 0.040 0.000 0.894 288 L HN 0.225 nan 8.230 nan 0.000 0.432 289 K N -1.606 118.771 120.400 -0.038 0.000 2.103 289 K HA -0.261 4.059 4.320 0.001 0.000 0.207 289 K C 2.150 178.679 176.600 -0.119 0.000 1.048 289 K CA 2.065 58.307 56.287 -0.075 0.000 0.930 289 K CB -0.473 31.993 32.500 -0.056 0.000 0.716 289 K HN 0.402 nan 8.250 nan 0.000 0.444 290 Y N 1.041 121.230 120.300 -0.185 0.000 2.181 290 Y HA -0.179 4.371 4.550 0.000 0.000 0.288 290 Y C 1.834 177.291 175.900 -0.739 0.000 1.146 290 Y CA 1.402 59.329 58.100 -0.290 0.000 1.164 290 Y CB 0.000 38.404 38.460 -0.094 0.000 0.982 290 Y HN -0.040 nan 8.280 nan 0.000 0.515 291 I N -0.529 119.658 120.570 -0.639 0.000 2.315 291 I HA -0.304 3.867 4.170 0.001 0.000 0.248 291 I C 2.102 177.795 176.117 -0.706 0.000 1.117 291 I CA 1.034 61.685 61.300 -1.081 0.000 1.404 291 I CB -0.251 37.422 38.000 -0.544 0.000 1.071 291 I HN 0.232 nan 8.210 nan 0.000 0.419 292 L N 0.248 121.231 121.223 -0.400 0.000 2.217 292 L HA -0.174 4.166 4.340 0.001 0.000 0.211 292 L C 2.557 179.297 176.870 -0.216 0.000 1.107 292 L CA 0.870 55.574 54.840 -0.227 0.000 0.783 292 L CB -0.498 41.469 42.059 -0.153 0.000 0.919 292 L HN 0.397 nan 8.230 nan 0.000 0.442 293 Q N -0.168 119.426 119.800 -0.344 0.000 2.297 293 Q HA -0.195 4.145 4.340 0.001 0.000 0.204 293 Q C 1.754 177.661 176.000 -0.156 0.000 0.962 293 Q CA 0.968 56.614 55.803 -0.263 0.000 0.879 293 Q CB 0.011 28.550 28.738 -0.333 0.000 0.947 293 Q HN 0.504 nan 8.270 nan 0.000 0.462 294 W N 1.001 122.122 121.300 -0.297 0.000 2.421 294 W HA -0.031 4.629 4.660 0.000 0.000 0.270 294 W C 0.612 177.074 176.519 -0.095 0.000 1.233 294 W CA 0.745 57.924 57.345 -0.276 0.000 1.226 294 W CB -0.477 28.823 29.460 -0.267 0.000 1.121 294 W HN 0.369 nan 8.180 nan 0.000 0.579 295 Q N -1.052 118.815 119.800 0.111 0.000 2.478 295 Q HA -0.196 4.144 4.340 0.001 0.000 0.286 295 Q C -0.617 175.428 176.000 0.076 0.000 1.299 295 Q CA 0.334 56.174 55.803 0.062 0.000 0.826 295 Q CB -1.904 26.861 28.738 0.045 0.000 1.199 295 Q HN 0.174 nan 8.270 nan 0.000 0.451 296 L N -0.428 120.850 121.223 0.091 0.000 2.330 296 L HA 0.779 5.120 4.340 0.001 0.000 0.271 296 L C 0.584 177.429 176.870 -0.043 0.000 1.013 296 L CA -0.832 54.032 54.840 0.038 0.000 0.816 296 L CB 1.351 43.467 42.059 0.095 0.000 1.287 296 L HN 0.215 nan 8.230 nan 0.000 0.435 297 A N 1.530 124.258 122.820 -0.153 0.000 2.572 297 A HA 0.252 4.573 4.320 0.001 0.000 0.256 297 A C -0.030 177.442 177.584 -0.187 0.000 1.041 297 A CA 0.645 52.550 52.037 -0.220 0.000 0.790 297 A CB -0.642 18.026 19.000 -0.554 0.000 0.947 297 A HN 0.644 nan 8.150 nan 0.000 0.518 298 T N 3.979 118.473 114.554 -0.100 0.000 2.937 298 T HA 0.432 4.783 4.350 0.001 0.000 0.297 298 T C -0.898 173.755 174.700 -0.078 0.000 0.991 298 T CA -0.423 61.634 62.100 -0.072 0.000 0.990 298 T CB 1.116 69.952 68.868 -0.053 0.000 0.991 298 T HN 0.595 nan 8.240 nan 0.000 0.440 299 L N 5.362 126.543 121.223 -0.070 0.000 2.262 299 L HA 0.535 4.875 4.340 0.001 0.000 0.288 299 L C -0.897 175.898 176.870 -0.125 0.000 1.035 299 L CA -1.107 53.683 54.840 -0.083 0.000 0.820 299 L CB 0.075 42.112 42.059 -0.036 0.000 1.204 299 L HN 0.536 nan 8.230 nan 0.000 0.424 300 I N 6.846 127.282 120.570 -0.223 0.000 2.312 300 I HA 0.286 4.456 4.170 0.001 0.000 0.291 300 I C 0.053 175.906 176.117 -0.440 0.000 1.031 300 I CA -0.211 60.875 61.300 -0.356 0.000 1.293 300 I CB 0.825 38.502 38.000 -0.539 0.000 1.403 300 I HN 0.507 nan 8.210 nan 0.000 0.484 301 L N 5.082 126.115 121.223 -0.317 0.000 2.330 301 L HA 0.662 5.003 4.340 0.001 0.000 0.271 301 L C 1.091 177.781 176.870 -0.299 0.000 1.013 301 L CA -0.586 54.087 54.840 -0.280 0.000 0.816 301 L CB 1.905 43.877 42.059 -0.145 0.000 1.287 301 L HN 0.631 nan 8.230 nan 0.000 0.435 302 G N -0.052 108.532 108.800 -0.360 0.000 2.873 302 G HA2 0.647 4.608 3.960 0.001 0.000 0.170 302 G HA3 0.647 4.608 3.960 0.001 0.000 0.170 302 G C 0.162 174.815 174.900 -0.412 0.000 1.608 302 G CA 0.368 45.071 45.100 -0.661 0.000 1.084 302 G HN 0.952 nan 8.290 nan 0.000 0.563 303 G N -2.105 106.494 108.800 -0.334 0.000 2.480 303 G HA2 0.511 4.471 3.960 0.001 0.000 0.109 303 G HA3 0.511 4.471 3.960 0.001 0.000 0.109 303 G C 0.377 175.096 174.900 -0.303 0.000 1.172 303 G CA 0.305 45.030 45.100 -0.625 0.000 1.091 303 G HN 1.403 nan 8.290 nan 0.000 0.464 304 G N -0.743 107.998 108.800 -0.098 0.000 2.664 304 G HA2 0.653 4.614 3.960 0.001 0.000 0.242 304 G HA3 0.653 4.614 3.960 0.001 0.000 0.242 304 G C 0.542 175.242 174.900 -0.332 0.000 1.225 304 G CA 0.712 45.782 45.100 -0.050 0.000 0.849 304 G HN 2.131 nan 8.290 nan 0.000 0.581 305 G N -0.907 107.238 108.800 -1.091 0.000 1.968 305 G HA2 0.223 4.183 3.960 0.001 0.000 0.183 305 G HA3 0.223 4.183 3.960 0.001 0.000 0.183 305 G C -0.564 173.852 174.900 -0.807 0.000 1.665 305 G CA -0.577 44.055 45.100 -0.779 0.000 1.015 305 G HN 0.641 nan 8.290 nan 0.000 0.624 306 Y N 1.086 121.391 120.300 0.007 0.000 2.500 306 Y HA 0.353 4.903 4.550 0.000 0.000 0.246 306 Y C 1.260 177.140 175.900 -0.034 0.000 1.146 306 Y CA -0.627 57.489 58.100 0.026 0.000 1.230 306 Y CB 1.111 39.629 38.460 0.097 0.000 1.214 306 Y HN 0.470 nan 8.280 nan 0.000 0.526 307 N N 1.935 120.620 118.700 -0.025 0.000 2.500 307 N HA 0.159 4.899 4.740 0.001 0.000 0.236 307 N C 0.643 176.048 175.510 -0.175 0.000 1.022 307 N CA 0.152 53.150 53.050 -0.087 0.000 0.935 307 N CB 0.809 39.237 38.487 -0.098 0.000 1.147 307 N HN 0.340 nan 8.380 nan 0.000 0.512 308 L N 2.611 123.734 121.223 -0.167 0.000 2.027 308 L HA -0.126 4.214 4.340 0.001 0.000 0.206 308 L C 2.353 179.061 176.870 -0.270 0.000 1.074 308 L CA 1.351 56.063 54.840 -0.212 0.000 0.745 308 L CB -0.539 41.412 42.059 -0.180 0.000 0.898 308 L HN 0.522 nan 8.230 nan 0.000 0.433 309 A N 0.357 122.980 122.820 -0.329 0.000 1.877 309 A HA -0.221 4.099 4.320 0.001 0.000 0.216 309 A C 2.062 179.518 177.584 -0.213 0.000 1.186 309 A CA 2.031 53.793 52.037 -0.458 0.000 0.620 309 A CB -0.599 17.949 19.000 -0.754 0.000 0.822 309 A HN 0.406 nan 8.150 nan 0.000 0.443 310 N N -0.416 118.153 118.700 -0.217 0.000 2.188 310 N HA -0.087 4.653 4.740 0.001 0.000 0.184 310 N C 1.742 177.082 175.510 -0.283 0.000 1.018 310 N CA 1.828 54.766 53.050 -0.187 0.000 0.858 310 N CB -0.702 37.677 38.487 -0.180 0.000 0.989 310 N HN 0.496 nan 8.380 nan 0.000 0.426 311 T N 0.668 114.979 114.554 -0.405 0.000 2.708 311 T HA -0.058 4.292 4.350 0.001 0.000 0.266 311 T C 1.928 176.201 174.700 -0.713 0.000 1.037 311 T CA 1.377 63.035 62.100 -0.736 0.000 1.146 311 T CB -0.418 67.948 68.868 -0.837 0.000 0.865 311 T HN 0.321 nan 8.240 nan 0.000 0.435 312 A N 1.816 124.420 122.820 -0.360 0.000 1.917 312 A HA -0.189 4.131 4.320 0.001 0.000 0.219 312 A C 2.360 179.909 177.584 -0.057 0.000 1.182 312 A CA 1.732 53.695 52.037 -0.123 0.000 0.633 312 A CB -0.581 18.483 19.000 0.107 0.000 0.819 312 A HN 0.415 nan 8.150 nan 0.000 0.448 313 R N -1.386 119.113 120.500 -0.002 0.000 2.105 313 R HA -0.166 4.174 4.340 0.001 0.000 0.239 313 R C 2.413 178.684 176.300 -0.050 0.000 1.135 313 R CA 1.497 57.614 56.100 0.028 0.000 0.967 313 R CB -0.795 29.524 30.300 0.032 0.000 0.861 313 R HN 0.711 nan 8.270 nan 0.000 0.442 314 C N -0.335 118.855 119.300 -0.184 0.000 2.489 314 C HA -0.059 4.401 4.460 0.001 0.000 0.279 314 C C 2.269 177.245 174.990 -0.023 0.000 1.266 314 C CA 0.166 59.093 59.018 -0.151 0.000 1.707 314 C CB -0.918 26.631 27.740 -0.317 0.000 2.059 314 C HN 0.609 nan 8.230 nan 0.000 0.481 315 W N 1.009 122.069 121.300 -0.401 0.000 2.418 315 W HA 0.067 4.727 4.660 0.001 0.000 0.292 315 W C 2.603 178.820 176.519 -0.504 0.000 1.213 315 W CA 1.359 58.172 57.345 -0.887 0.000 1.283 315 W CB -1.860 26.583 29.460 -1.695 0.000 1.119 315 W HN 0.305 nan 8.180 nan 0.000 0.542 316 T N 0.191 114.701 114.554 -0.072 0.000 2.665 316 T HA -0.313 4.037 4.350 0.001 0.000 0.268 316 T C 1.523 176.217 174.700 -0.010 0.000 1.035 316 T CA 2.023 64.121 62.100 -0.003 0.000 1.151 316 T CB -0.860 68.022 68.868 0.022 0.000 0.862 316 T HN 0.183 nan 8.240 nan 0.000 0.438 317 Y N 1.633 121.872 120.300 -0.101 0.000 2.200 317 Y HA -0.009 4.541 4.550 0.001 0.000 0.290 317 Y C 2.020 177.910 175.900 -0.018 0.000 1.137 317 Y CA 1.038 59.076 58.100 -0.102 0.000 1.163 317 Y CB -0.462 37.942 38.460 -0.094 0.000 0.988 317 Y HN 0.117 nan 8.280 nan 0.000 0.518 318 L N -0.753 120.512 121.223 0.071 0.000 2.083 318 L HA -0.223 4.117 4.340 0.001 0.000 0.209 318 L C 2.273 179.219 176.870 0.126 0.000 1.083 318 L CA 1.763 56.663 54.840 0.100 0.000 0.752 318 L CB -1.025 41.246 42.059 0.353 0.000 0.899 318 L HN 0.220 nan 8.230 nan 0.000 0.433 319 T N -0.144 114.552 114.554 0.237 0.000 2.759 319 T HA -0.137 4.213 4.350 0.001 0.000 0.269 319 T C 1.872 176.562 174.700 -0.017 0.000 1.042 319 T CA 1.321 63.541 62.100 0.200 0.000 1.140 319 T CB -0.504 68.529 68.868 0.275 0.000 0.864 319 T HN 0.579 nan 8.240 nan 0.000 0.455 320 G N 1.295 110.011 108.800 -0.140 0.000 2.440 320 G HA2 -0.194 3.767 3.960 0.001 0.000 0.218 320 G HA3 -0.194 3.767 3.960 0.001 0.000 0.218 320 G C 1.822 176.574 174.900 -0.247 0.000 1.154 320 G CA 1.182 46.140 45.100 -0.236 0.000 0.767 320 G HN 0.536 nan 8.290 nan 0.000 0.552 321 V N -0.065 119.659 119.914 -0.317 0.000 2.453 321 V HA 0.003 4.123 4.120 0.001 0.000 0.247 321 V C 2.581 178.594 176.094 -0.135 0.000 1.048 321 V CA 1.401 63.551 62.300 -0.250 0.000 1.049 321 V CB -0.381 31.267 31.823 -0.291 0.000 0.672 321 V HN 0.390 nan 8.190 nan 0.000 0.457 322 I N 0.168 120.684 120.570 -0.089 0.000 2.151 322 I HA -0.265 3.906 4.170 0.001 0.000 0.243 322 I C 2.451 178.529 176.117 -0.065 0.000 1.080 322 I CA 2.251 63.515 61.300 -0.061 0.000 1.339 322 I CB -0.259 37.722 38.000 -0.031 0.000 1.039 322 I HN 0.312 nan 8.210 nan 0.000 0.409 323 L N 0.159 121.340 121.223 -0.070 0.000 2.492 323 L HA 0.108 4.448 4.340 0.001 0.000 0.223 323 L C 1.449 178.277 176.870 -0.070 0.000 1.132 323 L CA 0.584 55.386 54.840 -0.063 0.000 0.850 323 L CB -0.450 41.573 42.059 -0.061 0.000 0.966 323 L HN 0.497 nan 8.230 nan 0.000 0.454 324 G N 0.615 109.361 108.800 -0.089 0.000 2.225 324 G HA2 -0.231 3.729 3.960 0.001 0.000 0.264 324 G HA3 -0.231 3.729 3.960 0.001 0.000 0.264 324 G C 0.035 174.886 174.900 -0.082 0.000 1.060 324 G CA 0.005 45.053 45.100 -0.085 0.000 0.833 324 G HN 0.195 nan 8.290 nan 0.000 0.498 325 K N 0.172 120.511 120.400 -0.102 0.000 2.208 325 K HA 0.723 5.044 4.320 0.001 0.000 0.247 325 K C 0.330 176.859 176.600 -0.118 0.000 0.953 325 K CA -0.083 56.149 56.287 -0.092 0.000 0.837 325 K CB 1.878 34.328 32.500 -0.083 0.000 1.131 325 K HN 0.483 nan 8.250 nan 0.000 0.431 326 T N -0.159 114.344 114.554 -0.084 0.000 2.823 326 T HA 0.595 4.946 4.350 0.001 0.000 0.279 326 T C 0.071 174.729 174.700 -0.071 0.000 0.998 326 T CA -0.830 61.224 62.100 -0.076 0.000 0.994 326 T CB 0.375 69.225 68.868 -0.030 0.000 0.960 326 T HN 0.353 nan 8.240 nan 0.000 0.448 327 L N 2.637 123.798 121.223 -0.103 0.000 2.375 327 L HA 0.566 4.906 4.340 0.001 0.000 0.268 327 L C 1.046 177.911 176.870 -0.008 0.000 1.058 327 L CA -1.254 53.496 54.840 -0.151 0.000 0.803 327 L CB 1.450 43.188 42.059 -0.534 0.000 1.212 327 L HN 0.755 nan 8.230 nan 0.000 0.451 328 S N 0.176 115.957 115.700 0.134 0.000 2.568 328 S HA -0.010 4.460 4.470 0.001 0.000 0.282 328 S C 1.204 175.926 174.600 0.203 0.000 1.338 328 S CA -0.220 58.090 58.200 0.182 0.000 1.045 328 S CB 0.990 64.322 63.200 0.219 0.000 0.873 328 S HN 0.659 nan 8.310 nan 0.000 0.516 329 S N 2.688 118.469 115.700 0.134 0.000 2.406 329 S HA 0.081 4.551 4.470 0.001 0.000 0.228 329 S C 1.012 175.706 174.600 0.156 0.000 1.020 329 S CA 1.069 59.342 58.200 0.121 0.000 0.965 329 S CB -0.542 62.705 63.200 0.077 0.000 0.798 329 S HN 0.957 nan 8.310 nan 0.000 0.488 330 E N 1.503 121.793 120.200 0.151 0.000 2.316 330 E HA 0.360 4.710 4.350 0.001 0.000 0.275 330 E C -0.211 176.473 176.600 0.141 0.000 1.029 330 E CA -0.285 56.204 56.400 0.148 0.000 0.871 330 E CB -0.002 29.762 29.700 0.106 0.000 1.022 330 E HN 0.264 nan 8.360 nan 0.000 0.418 331 I N 4.272 124.944 120.570 0.170 0.000 2.452 331 I HA 0.160 4.330 4.170 0.001 0.000 0.287 331 I C -2.108 174.051 176.117 0.070 0.000 1.079 331 I CA -2.202 59.137 61.300 0.064 0.000 1.387 331 I CB 0.723 38.764 38.000 0.068 0.000 1.404 331 I HN 0.415 nan 8.210 nan 0.000 0.522 332 P HA 0.034 nan 4.420 nan 0.000 0.269 332 P C -0.247 177.035 177.300 -0.030 0.000 1.209 332 P CA -0.272 62.695 63.100 -0.222 0.000 0.776 332 P CB 0.520 31.958 31.700 -0.436 0.000 0.876 333 D N 1.298 121.549 120.400 -0.248 0.000 2.488 333 D HA 0.055 4.696 4.640 0.001 0.000 0.238 333 D C 0.163 176.482 176.300 0.031 0.000 1.138 333 D CA 0.984 54.767 54.000 -0.360 0.000 0.873 333 D CB 0.112 40.618 40.800 -0.489 0.000 1.183 333 D HN 0.617 nan 8.370 nan 0.000 0.458 334 H N -1.211 117.811 119.070 -0.080 0.000 2.863 334 H HA 0.224 4.780 4.556 0.000 0.000 0.274 334 H C 0.779 176.099 175.328 -0.013 0.000 1.457 334 H CA -0.769 55.254 56.048 -0.041 0.000 1.151 334 H CB 0.545 30.296 29.762 -0.019 0.000 1.844 334 H HN 0.260 nan 8.280 nan 0.000 0.562 335 E N -0.157 119.937 120.200 -0.177 0.000 2.136 335 E HA -0.204 4.147 4.350 0.001 0.000 0.202 335 E C 0.007 176.217 176.600 -0.651 0.000 1.019 335 E CA 2.231 58.348 56.400 -0.473 0.000 0.819 335 E CB -0.081 29.212 29.700 -0.678 0.000 0.739 335 E HN 0.487 nan 8.360 nan 0.000 0.458 336 F N -1.086 118.672 119.950 -0.320 0.000 2.668 336 F HA 0.190 4.718 4.527 0.000 0.000 0.301 336 F C 0.972 176.743 175.800 -0.049 0.000 1.106 336 F CA -0.564 57.366 58.000 -0.117 0.000 1.289 336 F CB -0.127 38.940 39.000 0.112 0.000 1.006 336 F HN 0.015 nan 8.300 nan 0.000 0.535 337 F N 1.875 121.631 119.950 -0.323 0.000 2.085 337 F HA -0.369 4.158 4.527 0.000 0.000 0.299 337 F C 2.692 178.733 175.800 0.403 0.000 1.096 337 F CA 2.380 60.400 58.000 0.034 0.000 1.227 337 F CB -0.388 38.555 39.000 -0.096 0.000 0.983 337 F HN 0.136 nan 8.300 nan 0.000 0.482 338 T N -1.439 113.253 114.554 0.231 0.000 2.849 338 T HA -0.155 4.196 4.350 0.001 0.000 0.270 338 T C 1.946 176.682 174.700 0.060 0.000 1.066 338 T CA 0.906 63.113 62.100 0.178 0.000 1.130 338 T CB -1.058 67.907 68.868 0.161 0.000 0.864 338 T HN 0.358 nan 8.240 nan 0.000 0.481 339 A N 0.146 122.981 122.820 0.025 0.000 2.172 339 A HA 0.125 4.446 4.320 0.001 0.000 0.216 339 A C 1.600 178.912 177.584 -0.452 0.000 1.154 339 A CA 0.565 52.471 52.037 -0.218 0.000 0.701 339 A CB -0.889 17.935 19.000 -0.293 0.000 0.789 339 A HN 0.690 nan 8.150 nan 0.000 0.465 340 Y N -0.193 120.011 120.300 -0.161 0.000 2.466 340 Y HA 0.294 4.844 4.550 0.000 0.000 0.272 340 Y C 1.767 177.268 175.900 -0.665 0.000 1.169 340 Y CA -0.436 57.512 58.100 -0.253 0.000 1.285 340 Y CB -0.260 38.160 38.460 -0.066 0.000 1.078 340 Y HN 0.277 nan 8.280 nan 0.000 0.523 341 G N 0.960 109.282 108.800 -0.797 0.000 2.634 341 G HA2 0.217 4.177 3.960 0.001 0.000 0.255 341 G HA3 0.217 4.177 3.960 0.001 0.000 0.255 341 G C -1.481 173.082 174.900 -0.562 0.000 1.205 341 G CA -0.860 43.528 45.100 -1.187 0.000 0.884 341 G HN 0.072 nan 8.290 nan 0.000 0.549 342 P HA 0.114 nan 4.420 nan 0.000 0.235 342 P C 0.707 177.738 177.300 -0.449 0.000 1.177 342 P CA 0.492 63.332 63.100 -0.433 0.000 0.785 342 P CB 0.537 32.142 31.700 -0.158 0.000 0.885 343 D N -1.384 118.801 120.400 -0.359 0.000 2.289 343 D HA -0.035 4.606 4.640 0.001 0.000 0.207 343 D C 0.124 176.427 176.300 0.005 0.000 0.966 343 D CA 0.405 54.335 54.000 -0.117 0.000 0.868 343 D CB -0.459 40.300 40.800 -0.068 0.000 0.943 343 D HN 0.120 nan 8.370 nan 0.000 0.514 344 Y N -0.631 119.659 120.300 -0.017 0.000 3.305 344 Y HA -0.240 4.310 4.550 0.000 0.000 0.212 344 Y C 0.256 176.188 175.900 0.053 0.000 1.248 344 Y CA -0.108 57.981 58.100 -0.017 0.000 1.359 344 Y CB -2.303 36.117 38.460 -0.067 0.000 1.407 344 Y HN -0.092 nan 8.280 nan 0.000 0.572 345 V N -3.075 116.917 119.914 0.129 0.000 2.919 345 V HA 0.592 4.712 4.120 0.001 0.000 0.316 345 V C 0.743 176.896 176.094 0.098 0.000 1.077 345 V CA -1.080 61.286 62.300 0.110 0.000 0.977 345 V CB 1.966 33.828 31.823 0.064 0.000 1.039 345 V HN 0.067 nan 8.190 nan 0.000 0.441 346 L N 0.964 122.243 121.223 0.094 0.000 2.156 346 L HA 0.247 4.587 4.340 0.001 0.000 0.208 346 L C 1.242 178.101 176.870 -0.018 0.000 1.095 346 L CA 1.550 56.430 54.840 0.067 0.000 0.770 346 L CB -0.598 41.504 42.059 0.071 0.000 0.914 346 L HN 0.931 nan 8.230 nan 0.000 0.439 347 E N -0.711 119.464 120.200 -0.042 0.000 2.345 347 E HA 0.410 4.760 4.350 0.001 0.000 0.259 347 E C -0.773 175.771 176.600 -0.092 0.000 1.117 347 E CA -0.047 56.291 56.400 -0.104 0.000 0.913 347 E CB 0.976 30.625 29.700 -0.086 0.000 1.057 347 E HN 0.034 nan 8.360 nan 0.000 0.432 348 I N 0.613 121.110 120.570 -0.121 0.000 2.465 348 I HA 0.202 4.372 4.170 0.001 0.000 0.291 348 I C -0.656 175.408 176.117 -0.088 0.000 1.014 348 I CA -0.299 60.940 61.300 -0.102 0.000 1.093 348 I CB 2.155 40.082 38.000 -0.121 0.000 1.267 348 I HN 0.340 nan 8.210 nan 0.000 0.431 349 T N 7.448 121.961 114.554 -0.068 0.000 2.780 349 T HA 0.296 4.647 4.350 0.001 0.000 0.294 349 T C -2.455 172.211 174.700 -0.056 0.000 0.949 349 T CA -0.952 61.114 62.100 -0.056 0.000 1.074 349 T CB 0.371 69.212 68.868 -0.046 0.000 0.910 349 T HN 0.353 nan 8.240 nan 0.000 0.501 350 P HA -0.151 nan 4.420 nan 0.000 0.105 350 P C -0.273 177.009 177.300 -0.030 0.000 0.856 350 P CA 0.352 63.430 63.100 -0.038 0.000 1.007 350 P CB -0.597 31.080 31.700 -0.038 0.000 1.630 351 S N 1.610 117.295 115.700 -0.024 0.000 2.572 351 S HA 0.145 4.615 4.470 0.001 0.000 0.279 351 S C 0.682 175.274 174.600 -0.014 0.000 1.341 351 S CA -0.478 57.711 58.200 -0.018 0.000 1.043 351 S CB 0.282 63.475 63.200 -0.011 0.000 0.887 351 S HN 0.485 nan 8.310 nan 0.000 0.516 352 C N 4.541 123.833 119.300 -0.012 0.000 2.252 352 C HA 0.585 5.045 4.460 0.001 0.000 0.342 352 C C 0.597 175.583 174.990 -0.006 0.000 1.110 352 C CA -1.055 57.957 59.018 -0.010 0.000 1.581 352 C CB -1.960 25.773 27.740 -0.010 0.000 2.087 352 C HN 0.877 nan 8.230 nan 0.000 0.500 353 R N 1.925 122.423 120.500 -0.004 0.000 2.739 353 R HA 0.769 5.109 4.340 0.001 0.000 0.271 353 R C -3.141 173.159 176.300 -0.001 0.000 1.010 353 R CA -1.280 54.820 56.100 -0.000 0.000 0.897 353 R CB 0.335 30.638 30.300 0.004 0.000 1.236 353 R HN 0.279 nan 8.270 nan 0.000 0.466 354 P HA 0.022 nan 4.420 nan 0.000 0.269 354 P C -0.992 176.306 177.300 -0.002 0.000 1.215 354 P CA -0.074 63.024 63.100 -0.002 0.000 0.780 354 P CB 0.504 32.203 31.700 -0.001 0.000 0.898 355 D N 1.544 121.939 120.400 -0.008 0.000 2.441 355 D HA 0.054 4.694 4.640 0.001 0.000 0.221 355 D C 0.978 177.270 176.300 -0.013 0.000 1.156 355 D CA -0.306 53.685 54.000 -0.015 0.000 0.896 355 D CB 0.297 41.083 40.800 -0.023 0.000 1.028 355 D HN 0.080 nan 8.370 nan 0.000 0.509 356 R N 2.790 123.287 120.500 -0.006 0.000 2.339 356 R HA 0.034 4.375 4.340 0.001 0.000 0.199 356 R C -0.161 176.135 176.300 -0.007 0.000 1.018 356 R CA 0.139 56.238 56.100 -0.001 0.000 1.036 356 R CB -0.290 30.015 30.300 0.009 0.000 0.899 356 R HN 0.423 nan 8.270 nan 0.000 0.473 357 N N 2.477 121.165 118.700 -0.021 0.000 2.555 357 N HA 0.039 4.779 4.740 0.001 0.000 0.244 357 N C -0.130 175.364 175.510 -0.027 0.000 1.114 357 N CA 0.134 53.166 53.050 -0.030 0.000 0.963 357 N CB 0.834 39.288 38.487 -0.056 0.000 1.276 357 N HN 0.268 nan 8.380 nan 0.000 0.510 358 E N 3.021 123.209 120.200 -0.018 0.000 2.417 358 E HA 0.030 4.380 4.350 0.001 0.000 0.261 358 E C -1.519 175.066 176.600 -0.024 0.000 1.000 358 E CA -1.246 55.144 56.400 -0.018 0.000 0.919 358 E CB -0.065 29.628 29.700 -0.012 0.000 0.955 358 E HN 0.370 nan 8.360 nan 0.000 0.455 359 P HA -0.180 nan 4.420 nan 0.000 0.225 359 P C 1.361 178.646 177.300 -0.026 0.000 1.148 359 P CA 1.952 65.034 63.100 -0.029 0.000 0.779 359 P CB -0.073 31.612 31.700 -0.026 0.000 0.780 360 H N 0.759 119.817 119.070 -0.021 0.000 2.326 360 H HA 0.011 4.568 4.556 0.001 0.000 0.301 360 H C 2.204 177.519 175.328 -0.021 0.000 1.081 360 H CA 1.738 57.775 56.048 -0.018 0.000 1.334 360 H CB -0.853 28.901 29.762 -0.014 0.000 1.385 360 H HN -0.055 nan 8.280 nan 0.000 0.504 361 R N 0.248 120.734 120.500 -0.023 0.000 2.115 361 R HA -0.029 4.311 4.340 0.001 0.000 0.226 361 R C 2.238 178.517 176.300 -0.035 0.000 1.100 361 R CA 1.001 57.086 56.100 -0.026 0.000 0.980 361 R CB -0.344 29.944 30.300 -0.020 0.000 0.875 361 R HN 0.546 nan 8.270 nan 0.000 0.445 362 I N 0.756 121.301 120.570 -0.041 0.000 2.286 362 I HA -0.240 3.930 4.170 0.001 0.000 0.248 362 I C 2.279 178.368 176.117 -0.048 0.000 1.115 362 I CA 1.246 62.513 61.300 -0.055 0.000 1.392 362 I CB -0.998 36.963 38.000 -0.065 0.000 1.065 362 I HN 0.144 nan 8.210 nan 0.000 0.418 363 Q N 0.828 120.607 119.800 -0.036 0.000 2.167 363 Q HA -0.172 4.168 4.340 0.001 0.000 0.202 363 Q C 2.214 178.207 176.000 -0.011 0.000 0.970 363 Q CA 1.361 57.149 55.803 -0.027 0.000 0.855 363 Q CB 0.038 28.762 28.738 -0.022 0.000 0.911 363 Q HN 0.515 nan 8.270 nan 0.000 0.438 364 Q N -0.523 119.270 119.800 -0.011 0.000 2.123 364 Q HA -0.079 4.261 4.340 0.001 0.000 0.199 364 Q C 2.011 178.022 176.000 0.018 0.000 0.966 364 Q CA 1.243 57.047 55.803 0.003 0.000 0.845 364 Q CB -0.007 28.720 28.738 -0.018 0.000 0.907 364 Q HN 0.421 nan 8.270 nan 0.000 0.439 365 I N 0.735 121.297 120.570 -0.013 0.000 2.142 365 I HA -0.312 3.858 4.170 0.001 0.000 0.240 365 I C 2.195 178.329 176.117 0.027 0.000 1.078 365 I CA 1.209 62.503 61.300 -0.009 0.000 1.343 365 I CB -0.203 37.764 38.000 -0.055 0.000 1.046 365 I HN 0.209 nan 8.210 nan 0.000 0.405 366 L N 0.329 121.548 121.223 -0.007 0.000 2.046 366 L HA -0.240 4.100 4.340 0.001 0.000 0.208 366 L C 2.304 179.179 176.870 0.008 0.000 1.077 366 L CA 1.301 56.132 54.840 -0.016 0.000 0.747 366 L CB -0.736 41.297 42.059 -0.044 0.000 0.896 366 L HN 0.359 nan 8.230 nan 0.000 0.432 367 N N -0.497 118.221 118.700 0.028 0.000 2.080 367 N HA -0.232 4.508 4.740 0.001 0.000 0.189 367 N C 1.729 177.272 175.510 0.055 0.000 1.036 367 N CA 1.257 54.326 53.050 0.032 0.000 0.846 367 N CB -0.628 37.882 38.487 0.038 0.000 1.015 367 N HN 0.279 nan 8.380 nan 0.000 0.423 368 Y N 1.275 121.560 120.300 -0.024 0.000 2.193 368 Y HA -0.137 4.413 4.550 0.000 0.000 0.285 368 Y C 2.167 178.063 175.900 -0.005 0.000 1.166 368 Y CA 1.292 59.385 58.100 -0.012 0.000 1.181 368 Y CB -0.187 38.262 38.460 -0.019 0.000 0.976 368 Y HN 0.013 nan 8.280 nan 0.000 0.520 369 I N 0.278 120.889 120.570 0.069 0.000 2.202 369 I HA -0.314 3.856 4.170 0.001 0.000 0.242 369 I C 2.687 178.770 176.117 -0.057 0.000 1.091 369 I CA 1.805 63.107 61.300 0.003 0.000 1.368 369 I CB -0.636 37.375 38.000 0.018 0.000 1.058 369 I HN 0.218 nan 8.210 nan 0.000 0.410 370 K N 0.853 121.223 120.400 -0.051 0.000 2.097 370 K HA -0.080 4.240 4.320 0.001 0.000 0.206 370 K C 2.133 178.672 176.600 -0.101 0.000 1.049 370 K CA 1.492 57.739 56.287 -0.066 0.000 0.933 370 K CB -1.918 30.552 32.500 -0.050 0.000 0.717 370 K HN 0.554 nan 8.250 nan 0.000 0.442 371 G N 1.022 109.749 108.800 -0.122 0.000 2.421 371 G HA2 -0.316 3.644 3.960 0.001 0.000 0.216 371 G HA3 -0.316 3.644 3.960 0.001 0.000 0.216 371 G C 1.725 176.525 174.900 -0.167 0.000 1.171 371 G CA 1.151 46.158 45.100 -0.156 0.000 0.775 371 G HN 0.757 nan 8.290 nan 0.000 0.543 372 N N -0.180 118.402 118.700 -0.197 0.000 2.244 372 N HA -0.052 4.689 4.740 0.001 0.000 0.183 372 N C 1.807 177.231 175.510 -0.142 0.000 1.016 372 N CA 0.277 53.233 53.050 -0.156 0.000 0.866 372 N CB -0.082 38.401 38.487 -0.006 0.000 0.980 372 N HN 0.088 nan 8.380 nan 0.000 0.430 373 L N 1.586 122.736 121.223 -0.122 0.000 2.275 373 L HA -0.071 4.269 4.340 0.001 0.000 0.215 373 L C 2.585 179.357 176.870 -0.162 0.000 1.119 373 L CA 1.415 56.177 54.840 -0.130 0.000 0.790 373 L CB -1.142 40.861 42.059 -0.093 0.000 0.919 373 L HN 0.202 nan 8.230 nan 0.000 0.443 374 K N -1.685 118.589 120.400 -0.210 0.000 2.439 374 K HA -0.110 4.210 4.320 0.001 0.000 0.197 374 K C 1.727 178.087 176.600 -0.400 0.000 1.041 374 K CA 1.100 57.213 56.287 -0.290 0.000 0.970 374 K CB -0.986 31.313 32.500 -0.336 0.000 0.773 374 K HN 0.542 nan 8.250 nan 0.000 0.479 375 H N -0.910 117.957 119.070 -0.337 0.000 2.563 375 H HA 0.143 4.699 4.556 0.000 0.000 0.264 375 H C -0.082 175.174 175.328 -0.120 0.000 0.957 375 H CA 0.275 56.140 56.048 -0.305 0.000 1.173 375 H CB 0.556 29.892 29.762 -0.710 0.000 1.420 375 H HN 0.177 nan 8.280 nan 0.000 0.551 376 V N 2.330 122.189 119.914 -0.092 0.000 2.432 376 V HA 0.460 4.580 4.120 0.001 0.000 0.271 376 V C 0.742 176.816 176.094 -0.034 0.000 1.046 376 V CA -0.265 61.959 62.300 -0.126 0.000 0.945 376 V CB 0.630 32.256 31.823 -0.328 0.000 0.992 376 V HN 0.161 nan 8.190 nan 0.000 0.471 377 V N 0.000 119.944 119.914 0.051 0.000 2.409 377 V HA 0.000 4.120 4.120 0.001 0.000 0.244 377 V CA 0.000 62.425 62.300 0.208 0.000 1.235 377 V CB 0.000 nan 31.823 nan 0.000 1.184 377 V HN 0.000 nan 8.190 nan 0.000 0.556