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 3f5l_1_A DATA FIRST_RESID 5 DATA SEQUENCE NWLGGLSRAA FPKRFVFGTV TSAYQVEGMA ASGGRGPSIW DAFAHTPGNV DATA SEQUENCE AGNQNGDVAT DQYHRYKEDV NLMKSLNFDA YRFSISWSRI FPDGEGRVNQ DATA SEQUENCE EGVAYYNNLI NYLLQKGITP YVNLYHYDLP LALEKKYGGW LNAKMADLFT DATA SEQUENCE EYADFCFKTF GNRVKHWFTF NQPRIVALLG YDQGTNPPKR CTKCAAGGNS DATA SEQUENCE ATEPYIVAHN FLLSHAAAVA RYRTKYQAAQ QGKVGIVLDF NWYEALSNST DATA SEQUENCE EDQAAAQRAR DFHIGWYLDP LINGHYPQIM QDLVKDRLPK FTPEQARLVK DATA SEQUENCE GSADYIGINQ YTASYMKGQQ LMQQTPTSYS ADWQVTYVFA KNGKPIGPQA DATA SEQUENCE NSNWLYIVPW GMYGCVNYIK QKYGNPTVVI TENGMDQPAN LSRDQYLRDT DATA SEQUENCE TRVHFYRSYL TQLKKAIDEG ANVAGYFAWS LLDNFEWLSG YTSKFGIVYV DATA SEQUENCE DFNTLERHPK ASAYWFRDML KH VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 5 N HA 0.000 nan 4.740 nan 0.000 0.220 5 N C 0.000 175.682 175.510 0.287 0.000 1.280 5 N CA 0.000 53.154 53.050 0.174 0.000 0.885 5 N CB 0.000 38.571 38.487 0.140 0.000 1.341 6 W N 4.521 125.878 121.300 0.095 0.000 2.525 6 W HA 0.110 4.751 4.660 -0.032 0.000 0.259 6 W C 0.401 177.134 176.519 0.356 0.000 1.253 6 W CA 0.456 57.919 57.345 0.195 0.000 1.262 6 W CB -0.914 28.668 29.460 0.204 0.000 1.122 6 W HN 0.483 nan 8.180 nan 0.000 0.607 7 L N 1.656 122.979 121.223 0.167 0.000 2.478 7 L HA 0.194 4.515 4.340 -0.031 0.000 0.223 7 L C 1.956 178.899 176.870 0.121 0.000 1.140 7 L CA 0.897 55.703 54.840 -0.056 0.000 0.842 7 L CB -1.276 40.626 42.059 -0.263 0.000 0.953 7 L HN 0.192 nan 8.230 nan 0.000 0.452 8 G N 0.501 109.390 108.800 0.150 0.000 2.305 8 G HA2 -0.237 3.704 3.960 -0.031 0.000 0.287 8 G HA3 -0.237 3.704 3.960 -0.031 0.000 0.287 8 G C 1.008 175.946 174.900 0.064 0.000 1.036 8 G CA 0.498 45.669 45.100 0.120 0.000 0.887 8 G HN 0.681 nan 8.290 nan 0.000 0.505 9 G N -2.059 106.759 108.800 0.030 0.000 2.179 9 G HA2 -0.244 3.697 3.960 -0.031 0.000 0.260 9 G HA3 -0.244 3.697 3.960 -0.031 0.000 0.260 9 G C 0.485 175.365 174.900 -0.033 0.000 0.977 9 G CA 0.583 45.679 45.100 -0.007 0.000 0.641 9 G HN 1.333 nan 8.290 nan 0.000 0.533 10 L N 1.146 122.351 121.223 -0.029 0.000 2.371 10 L HA 0.666 4.987 4.340 -0.031 0.000 0.272 10 L C 0.875 177.671 176.870 -0.123 0.000 1.124 10 L CA 0.335 55.156 54.840 -0.032 0.000 0.816 10 L CB 1.534 43.623 42.059 0.051 0.000 1.129 10 L HN 0.651 nan 8.230 nan 0.000 0.448 11 S N 1.300 116.969 115.700 -0.052 0.000 2.656 11 S HA 0.328 4.779 4.470 -0.031 0.000 0.265 11 S C 0.245 174.866 174.600 0.034 0.000 1.132 11 S CA -1.031 57.103 58.200 -0.111 0.000 0.819 11 S CB 1.336 64.476 63.200 -0.101 0.000 1.119 11 S HN 0.575 nan 8.310 nan 0.000 0.476 12 R N 0.197 120.681 120.500 -0.026 0.000 2.120 12 R HA -0.013 4.308 4.340 -0.031 0.000 0.234 12 R C 2.368 178.768 176.300 0.166 0.000 1.123 12 R CA 1.504 57.673 56.100 0.116 0.000 0.975 12 R CB -0.827 29.490 30.300 0.028 0.000 0.866 12 R HN 0.768 nan 8.270 nan 0.000 0.446 13 A N 0.794 123.656 122.820 0.070 0.000 2.070 13 A HA -0.042 4.260 4.320 -0.031 0.000 0.220 13 A C 2.110 179.701 177.584 0.011 0.000 1.159 13 A CA 1.471 53.534 52.037 0.043 0.000 0.656 13 A CB -0.275 18.729 19.000 0.008 0.000 0.800 13 A HN 0.375 nan 8.150 nan 0.000 0.453 14 A N -1.762 121.056 122.820 -0.004 0.000 2.208 14 A HA 0.481 4.783 4.320 -0.031 0.000 0.209 14 A C 0.346 177.649 177.584 -0.468 0.000 1.161 14 A CA 0.142 52.055 52.037 -0.208 0.000 0.782 14 A CB -0.219 18.622 19.000 -0.265 0.000 0.816 14 A HN 0.340 nan 8.150 nan 0.000 0.477 15 F N -1.085 118.817 119.950 -0.080 0.000 2.598 15 F HA 0.531 5.040 4.527 -0.030 0.000 0.327 15 F C -2.313 173.438 175.800 -0.081 0.000 1.057 15 F CA -2.682 55.200 58.000 -0.198 0.000 0.957 15 F CB 0.887 39.660 39.000 -0.379 0.000 1.278 15 F HN -0.204 nan 8.300 nan 0.000 0.484 16 P HA 0.056 nan 4.420 nan 0.000 0.269 16 P C -1.142 176.291 177.300 0.221 0.000 1.217 16 P CA -0.376 62.820 63.100 0.161 0.000 0.783 16 P CB 0.412 32.240 31.700 0.212 0.000 0.898 17 K N 2.931 123.430 120.400 0.165 0.000 2.489 17 K HA 0.044 4.345 4.320 -0.031 0.000 0.278 17 K C 0.791 177.502 176.600 0.185 0.000 1.000 17 K CA 0.499 56.881 56.287 0.159 0.000 1.012 17 K CB -0.071 32.497 32.500 0.114 0.000 0.903 17 K HN 0.312 nan 8.250 nan 0.000 0.485 18 R N 0.315 120.926 120.500 0.185 0.000 3.954 18 R HA -0.220 4.102 4.340 -0.031 0.000 0.422 18 R C -0.170 176.233 176.300 0.170 0.000 1.091 18 R CA 0.481 56.678 56.100 0.161 0.000 1.168 18 R CB -2.906 27.468 30.300 0.124 0.000 1.752 18 R HN 0.623 nan 8.270 nan 0.000 0.547 19 F N 1.202 121.190 119.950 0.063 0.000 2.607 19 F HA 0.127 4.635 4.527 -0.031 0.000 0.374 19 F C 0.825 176.555 175.800 -0.117 0.000 1.104 19 F CA 0.168 58.148 58.000 -0.033 0.000 1.296 19 F CB 0.671 39.655 39.000 -0.027 0.000 1.085 19 F HN -0.169 nan 8.300 nan 0.000 0.584 20 V N 7.466 126.967 119.914 -0.689 0.000 2.407 20 V HA 0.238 4.340 4.120 -0.031 0.000 0.278 20 V C -0.433 175.177 176.094 -0.806 0.000 1.037 20 V CA -0.480 61.501 62.300 -0.531 0.000 0.900 20 V CB 0.860 32.408 31.823 -0.458 0.000 0.983 20 V HN 0.510 nan 8.190 nan 0.000 0.459 21 F N 2.860 122.613 119.950 -0.329 0.000 2.482 21 F HA 0.823 5.331 4.527 -0.031 0.000 0.331 21 F C 0.722 176.297 175.800 -0.376 0.000 1.115 21 F CA -0.178 57.653 58.000 -0.283 0.000 0.955 21 F CB 2.185 41.157 39.000 -0.047 0.000 1.136 21 F HN 0.626 nan 8.300 nan 0.000 0.452 22 G N 0.514 108.969 108.800 -0.575 0.000 2.788 22 G HA2 0.654 4.595 3.960 -0.031 0.000 0.293 22 G HA3 0.654 4.595 3.960 -0.031 0.000 0.293 22 G C -1.206 173.328 174.900 -0.610 0.000 1.392 22 G CA -0.722 43.989 45.100 -0.648 0.000 0.810 22 G HN 0.626 nan 8.290 nan 0.000 0.508 23 T N -3.079 111.191 114.554 -0.474 0.000 2.926 23 T HA 0.786 5.118 4.350 -0.031 0.000 0.289 23 T C -0.941 173.798 174.700 0.065 0.000 1.054 23 T CA -0.770 61.108 62.100 -0.371 0.000 1.015 23 T CB 1.793 70.271 68.868 -0.650 0.000 1.167 23 T HN 0.905 nan 8.240 nan 0.000 0.526 24 V N 1.279 121.173 119.914 -0.032 0.000 2.841 24 V HA 0.830 4.931 4.120 -0.031 0.000 0.310 24 V C 0.164 176.107 176.094 -0.252 0.000 1.090 24 V CA -0.651 61.630 62.300 -0.032 0.000 0.930 24 V CB 1.736 33.664 31.823 0.176 0.000 1.014 24 V HN 1.434 nan 8.190 nan 0.000 0.425 25 T N -0.363 114.087 114.554 -0.173 0.000 2.804 25 T HA 0.869 5.200 4.350 -0.031 0.000 0.290 25 T C -0.376 174.346 174.700 0.037 0.000 1.099 25 T CA -0.284 61.688 62.100 -0.214 0.000 1.011 25 T CB 2.018 70.852 68.868 -0.057 0.000 1.291 25 T HN 1.192 nan 8.240 nan 0.000 0.523 26 S N -0.698 115.016 115.700 0.023 0.000 2.599 26 S HA 0.752 5.204 4.470 -0.031 0.000 0.287 26 S C 1.383 175.997 174.600 0.024 0.000 1.105 26 S CA -0.358 57.768 58.200 -0.123 0.000 0.899 26 S CB 1.309 64.017 63.200 -0.819 0.000 1.100 26 S HN 1.363 nan 8.310 nan 0.000 0.482 27 A N 1.160 124.059 122.820 0.132 0.000 1.851 27 A HA -0.038 4.263 4.320 -0.031 0.000 0.216 27 A C 1.874 179.568 177.584 0.183 0.000 1.195 27 A CA 1.860 54.042 52.037 0.243 0.000 0.622 27 A CB -1.614 17.603 19.000 0.360 0.000 0.831 27 A HN 1.095 nan 8.150 nan 0.000 0.444 28 Y N 0.672 121.022 120.300 0.083 0.000 2.352 28 Y HA -0.165 4.368 4.550 -0.029 0.000 0.292 28 Y C 2.455 178.288 175.900 -0.112 0.000 1.136 28 Y CA 2.016 60.130 58.100 0.024 0.000 1.227 28 Y CB -0.231 38.300 38.460 0.119 0.000 0.991 28 Y HN 0.470 nan 8.280 nan 0.000 0.545 29 Q N -1.181 118.519 119.800 -0.167 0.000 2.311 29 Q HA -0.050 4.272 4.340 -0.031 0.000 0.203 29 Q C 1.911 177.850 176.000 -0.101 0.000 0.954 29 Q CA 1.661 57.326 55.803 -0.231 0.000 0.885 29 Q CB 0.199 28.787 28.738 -0.251 0.000 0.963 29 Q HN 0.540 nan 8.270 nan 0.000 0.471 30 V N -4.627 115.254 119.914 -0.055 0.000 3.431 30 V HA 0.128 4.230 4.120 -0.031 0.000 0.255 30 V C 1.475 177.574 176.094 0.009 0.000 1.403 30 V CA 0.058 62.363 62.300 0.008 0.000 1.101 30 V CB 0.153 31.996 31.823 0.032 0.000 0.891 30 V HN 0.025 nan 8.190 nan 0.000 0.446 31 E N 1.901 122.104 120.200 0.004 0.000 2.047 31 E HA 0.263 4.595 4.350 -0.031 0.000 0.191 31 E C 1.565 178.123 176.600 -0.070 0.000 0.987 31 E CA 1.224 57.630 56.400 0.010 0.000 0.799 31 E CB -0.359 29.366 29.700 0.043 0.000 0.752 31 E HN 0.903 nan 8.360 nan 0.000 0.449 32 G N 1.082 109.801 108.800 -0.135 0.000 2.598 32 G HA2 -0.329 3.612 3.960 -0.031 0.000 0.244 32 G HA3 -0.329 3.612 3.960 -0.031 0.000 0.244 32 G C 0.200 174.953 174.900 -0.245 0.000 1.302 32 G CA -0.104 44.892 45.100 -0.174 0.000 0.903 32 G HN 0.181 nan 8.290 nan 0.000 0.575 33 M N -1.693 117.729 119.600 -0.296 0.000 2.253 33 M HA -0.264 4.198 4.480 -0.031 0.000 0.199 33 M C 1.843 177.978 176.300 -0.274 0.000 0.342 33 M CA 1.490 56.543 55.300 -0.413 0.000 0.417 33 M CB -2.520 29.517 32.600 -0.938 0.000 1.338 33 M HN 2.038 nan 8.290 nan 0.000 0.920 34 A N -0.365 122.380 122.820 -0.125 0.000 1.969 34 A HA 0.260 4.562 4.320 -0.031 0.000 0.218 34 A C 1.698 179.287 177.584 0.008 0.000 1.169 34 A CA 1.846 53.884 52.037 0.003 0.000 0.635 34 A CB 0.003 19.071 19.000 0.113 0.000 0.810 34 A HN 0.991 nan 8.150 nan 0.000 0.445 35 A N -0.836 121.966 122.820 -0.030 0.000 2.676 35 A HA 0.640 4.942 4.320 -0.031 0.000 0.297 35 A C 0.249 177.796 177.584 -0.060 0.000 1.132 35 A CA 0.106 52.125 52.037 -0.030 0.000 0.972 35 A CB 0.099 19.085 19.000 -0.023 0.000 1.197 35 A HN 0.226 nan 8.150 nan 0.000 0.524 36 S N -2.019 113.611 115.700 -0.116 0.000 2.697 36 S HA 0.659 5.111 4.470 -0.031 0.000 0.289 36 S C 0.882 175.363 174.600 -0.198 0.000 1.149 36 S CA 0.025 58.141 58.200 -0.140 0.000 0.850 36 S CB 1.428 64.527 63.200 -0.169 0.000 1.151 36 S HN 1.598 nan 8.310 nan 0.000 0.491 37 G N 0.005 108.715 108.800 -0.151 0.000 2.203 37 G HA2 0.020 3.962 3.960 -0.031 0.000 0.263 37 G HA3 0.020 3.962 3.960 -0.031 0.000 0.263 37 G C 1.121 176.006 174.900 -0.024 0.000 1.012 37 G CA 0.889 45.928 45.100 -0.103 0.000 0.749 37 G HN 2.096 nan 8.290 nan 0.000 0.512 38 G N -1.198 107.592 108.800 -0.017 0.000 2.179 38 G HA2 -0.289 3.653 3.960 -0.031 0.000 0.260 38 G HA3 -0.289 3.653 3.960 -0.031 0.000 0.260 38 G C 0.490 175.405 174.900 0.024 0.000 0.977 38 G CA 1.203 46.312 45.100 0.014 0.000 0.641 38 G HN 1.420 nan 8.290 nan 0.000 0.533 39 R N 1.019 121.524 120.500 0.008 0.000 2.537 39 R HA 0.465 4.787 4.340 -0.031 0.000 0.280 39 R C 1.069 177.395 176.300 0.044 0.000 1.058 39 R CA 0.552 56.679 56.100 0.046 0.000 1.057 39 R CB 0.030 30.351 30.300 0.035 0.000 0.973 39 R HN 0.346 nan 8.270 nan 0.000 0.438 40 G N 4.278 113.117 108.800 0.065 0.000 2.504 40 G HA2 0.380 4.322 3.960 -0.031 0.000 0.288 40 G HA3 0.380 4.322 3.960 -0.031 0.000 0.288 40 G C -2.422 172.509 174.900 0.053 0.000 1.182 40 G CA -1.353 43.774 45.100 0.045 0.000 0.894 40 G HN 0.546 nan 8.290 nan 0.000 0.521 41 P HA 0.179 nan 4.420 nan 0.000 0.275 41 P C 0.078 177.402 177.300 0.039 0.000 1.228 41 P CA -0.190 62.936 63.100 0.043 0.000 0.786 41 P CB 1.494 33.202 31.700 0.015 0.000 0.927 42 S N 1.661 117.399 115.700 0.063 0.000 2.745 42 S HA 0.310 4.761 4.470 -0.031 0.000 0.292 42 S C 1.640 176.265 174.600 0.043 0.000 1.133 42 S CA -0.763 57.471 58.200 0.057 0.000 0.998 42 S CB 0.262 63.522 63.200 0.101 0.000 1.087 42 S HN 0.504 nan 8.310 nan 0.000 0.551 43 I N -2.793 117.802 120.570 0.042 0.000 2.454 43 I HA -0.006 4.145 4.170 -0.031 0.000 0.254 43 I C 1.675 177.758 176.117 -0.055 0.000 1.156 43 I CA 1.069 62.360 61.300 -0.015 0.000 1.433 43 I CB -0.407 37.566 38.000 -0.046 0.000 1.082 43 I HN 0.632 nan 8.210 nan 0.000 0.432 44 W N 2.215 123.466 121.300 -0.082 0.000 2.518 44 W HA -0.033 4.608 4.660 -0.031 0.000 0.273 44 W C 1.967 178.434 176.519 -0.087 0.000 1.247 44 W CA 1.304 58.580 57.345 -0.114 0.000 1.288 44 W CB -0.155 29.129 29.460 -0.294 0.000 1.107 44 W HN 0.187 nan 8.180 nan 0.000 0.586 45 D N -0.101 120.343 120.400 0.073 0.000 2.097 45 D HA -0.202 4.419 4.640 -0.031 0.000 0.195 45 D C 2.289 178.758 176.300 0.282 0.000 0.989 45 D CA 2.071 56.217 54.000 0.242 0.000 0.827 45 D CB -0.663 40.249 40.800 0.186 0.000 0.966 45 D HN 0.053 nan 8.370 nan 0.000 0.456 46 A N 0.117 123.026 122.820 0.148 0.000 1.902 46 A HA -0.156 4.145 4.320 -0.031 0.000 0.217 46 A C 2.033 179.699 177.584 0.137 0.000 1.181 46 A CA 1.039 53.142 52.037 0.111 0.000 0.623 46 A CB -1.029 17.996 19.000 0.042 0.000 0.818 46 A HN 0.311 nan 8.150 nan 0.000 0.443 47 F N 0.935 120.848 119.950 -0.061 0.000 2.102 47 F HA -0.065 4.443 4.527 -0.032 0.000 0.298 47 F C 2.465 178.273 175.800 0.013 0.000 1.105 47 F CA 1.562 59.480 58.000 -0.138 0.000 1.239 47 F CB -0.312 38.410 39.000 -0.463 0.000 0.991 47 F HN 0.227 nan 8.300 nan 0.000 0.474 48 A N -1.213 121.808 122.820 0.334 0.000 2.066 48 A HA -0.162 4.140 4.320 -0.031 0.000 0.218 48 A C 1.844 179.467 177.584 0.066 0.000 1.157 48 A CA 1.320 53.542 52.037 0.309 0.000 0.670 48 A CB -1.129 18.205 19.000 0.557 0.000 0.804 48 A HN 0.628 nan 8.150 nan 0.000 0.453 49 H N -0.333 118.792 119.070 0.091 0.000 2.547 49 H HA 0.049 4.586 4.556 -0.032 0.000 0.266 49 H C -0.173 175.149 175.328 -0.010 0.000 0.988 49 H CA 0.824 56.902 56.048 0.050 0.000 1.147 49 H CB 0.134 29.930 29.762 0.056 0.000 1.365 49 H HN 0.288 nan 8.280 nan 0.000 0.589 50 T N 3.775 118.328 114.554 -0.002 0.000 2.743 50 T HA 0.184 4.515 4.350 -0.031 0.000 0.293 50 T C -2.334 172.306 174.700 -0.100 0.000 0.945 50 T CA -1.395 60.663 62.100 -0.070 0.000 1.030 50 T CB 1.604 70.381 68.868 -0.152 0.000 0.912 50 T HN 0.075 nan 8.240 nan 0.000 0.483 51 P HA 0.192 nan 4.420 nan 0.000 0.264 51 P C 1.128 178.385 177.300 -0.072 0.000 1.183 51 P CA 0.892 63.966 63.100 -0.044 0.000 0.763 51 P CB 0.318 32.005 31.700 -0.021 0.000 0.807 52 G N 2.939 111.705 108.800 -0.057 0.000 2.241 52 G HA2 -0.293 3.648 3.960 -0.031 0.000 0.244 52 G HA3 -0.293 3.648 3.960 -0.031 0.000 0.244 52 G C 1.304 176.150 174.900 -0.090 0.000 0.998 52 G CA 0.165 45.232 45.100 -0.056 0.000 0.621 52 G HN 0.468 nan 8.290 nan 0.000 0.519 53 N N -0.004 118.579 118.700 -0.195 0.000 2.216 53 N HA 0.146 4.867 4.740 -0.031 0.000 0.183 53 N C 0.847 176.311 175.510 -0.077 0.000 1.017 53 N CA 1.524 54.359 53.050 -0.359 0.000 0.861 53 N CB 0.144 38.002 38.487 -1.049 0.000 0.986 53 N HN 0.458 nan 8.380 nan 0.000 0.428 54 V N 0.545 120.481 119.914 0.036 0.000 2.769 54 V HA 0.587 4.688 4.120 -0.031 0.000 0.312 54 V C -0.150 176.013 176.094 0.116 0.000 1.061 54 V CA -1.634 60.779 62.300 0.189 0.000 0.931 54 V CB 1.590 33.625 31.823 0.354 0.000 1.010 54 V HN 0.174 nan 8.190 nan 0.000 0.433 55 A N 2.727 125.606 122.820 0.099 0.000 2.584 55 A HA 0.425 4.726 4.320 -0.031 0.000 0.239 55 A C 1.560 179.193 177.584 0.081 0.000 1.043 55 A CA 0.895 52.974 52.037 0.070 0.000 0.756 55 A CB -0.794 18.234 19.000 0.046 0.000 0.963 55 A HN 2.398 nan 8.150 nan 0.000 0.511 56 G N 2.354 111.195 108.800 0.069 0.000 2.187 56 G HA2 -0.296 3.645 3.960 -0.031 0.000 0.261 56 G HA3 -0.296 3.645 3.960 -0.031 0.000 0.261 56 G C 0.401 175.346 174.900 0.075 0.000 1.000 56 G CA 0.698 45.842 45.100 0.073 0.000 0.718 56 G HN 1.696 nan 8.290 nan 0.000 0.519 57 N N -1.190 117.552 118.700 0.069 0.000 2.721 57 N HA -0.150 4.572 4.740 -0.031 0.000 0.249 57 N C 0.570 176.129 175.510 0.082 0.000 1.072 57 N CA 1.854 54.937 53.050 0.056 0.000 0.710 57 N CB -0.547 37.957 38.487 0.028 0.000 0.993 57 N HN 0.755 nan 8.380 nan 0.000 0.547 58 Q N 0.337 120.234 119.800 0.162 0.000 2.256 58 Q HA 0.538 4.859 4.340 -0.031 0.000 0.232 58 Q C 0.893 177.073 176.000 0.299 0.000 0.965 58 Q CA -0.180 55.771 55.803 0.247 0.000 0.908 58 Q CB 1.200 30.167 28.738 0.381 0.000 1.209 58 Q HN 0.666 nan 8.270 nan 0.000 0.489 59 N N -3.170 115.645 118.700 0.191 0.000 3.039 59 N HA 0.416 5.138 4.740 -0.031 0.000 0.257 59 N C -0.164 175.055 175.510 -0.485 0.000 1.497 59 N CA -0.634 52.336 53.050 -0.133 0.000 0.861 59 N CB 0.349 38.697 38.487 -0.231 0.000 1.479 59 N HN 0.418 nan 8.380 nan 0.000 0.547 60 G N -1.289 107.015 108.800 -0.826 0.000 3.448 60 G HA2 0.058 4.000 3.960 -0.031 0.000 0.261 60 G HA3 0.058 4.000 3.960 -0.031 0.000 0.261 60 G C -0.140 174.481 174.900 -0.465 0.000 1.173 60 G CA -0.195 44.296 45.100 -1.015 0.000 0.835 60 G HN 0.556 nan 8.290 nan 0.000 0.534 61 D N 0.377 120.684 120.400 -0.156 0.000 2.133 61 D HA -0.127 4.495 4.640 -0.031 0.000 0.195 61 D C 2.424 178.673 176.300 -0.085 0.000 0.997 61 D CA 1.099 55.081 54.000 -0.030 0.000 0.840 61 D CB 0.257 41.096 40.800 0.065 0.000 0.947 61 D HN 0.278 nan 8.370 nan 0.000 0.452 62 V N -0.470 119.395 119.914 -0.082 0.000 3.013 62 V HA 0.321 4.423 4.120 -0.031 0.000 0.238 62 V C 1.349 177.414 176.094 -0.049 0.000 1.161 62 V CA 0.644 62.905 62.300 -0.065 0.000 1.170 62 V CB -0.078 31.723 31.823 -0.036 0.000 0.917 62 V HN 0.341 nan 8.190 nan 0.000 0.478 63 A N 1.480 124.293 122.820 -0.012 0.000 5.391 63 A HA -0.435 3.867 4.320 -0.031 0.000 0.315 63 A C 1.760 179.479 177.584 0.224 0.000 1.874 63 A CA 2.791 54.907 52.037 0.131 0.000 0.714 63 A CB -2.150 16.833 19.000 -0.029 0.000 1.335 63 A HN 1.104 nan 8.150 nan 0.000 0.382 64 T N -2.685 111.978 114.554 0.182 0.000 3.107 64 T HA 0.374 4.705 4.350 -0.031 0.000 0.249 64 T C 0.541 175.244 174.700 0.004 0.000 1.096 64 T CA 1.574 63.726 62.100 0.087 0.000 1.012 64 T CB -0.032 68.857 68.868 0.036 0.000 0.977 64 T HN 1.920 nan 8.240 nan 0.000 0.527 65 D N 0.906 121.311 120.400 0.007 0.000 2.772 65 D HA -0.218 4.404 4.640 -0.031 0.000 0.233 65 D C 0.732 177.048 176.300 0.028 0.000 1.143 65 D CA 0.995 54.993 54.000 -0.003 0.000 0.700 65 D CB -1.624 39.189 40.800 0.022 0.000 1.076 65 D HN 0.729 nan 8.370 nan 0.000 0.430 66 Q N -1.222 118.602 119.800 0.040 0.000 2.234 66 Q HA -0.230 4.091 4.340 -0.031 0.000 0.206 66 Q C 1.842 177.934 176.000 0.152 0.000 0.980 66 Q CA 1.402 57.259 55.803 0.091 0.000 0.869 66 Q CB -0.188 28.617 28.738 0.111 0.000 0.912 66 Q HN 0.729 nan 8.270 nan 0.000 0.436 67 Y N 0.041 120.264 120.300 -0.128 0.000 2.151 67 Y HA -0.296 4.232 4.550 -0.038 0.000 0.284 67 Y C 1.311 177.189 175.900 -0.038 0.000 1.166 67 Y CA 2.454 60.339 58.100 -0.359 0.000 1.163 67 Y CB -0.021 38.032 38.460 -0.677 0.000 0.974 67 Y HN 0.341 nan 8.280 nan 0.000 0.511 68 H N -1.834 117.348 119.070 0.188 0.000 2.575 68 H HA 0.273 4.826 4.556 -0.006 0.000 0.267 68 H C 1.115 176.447 175.328 0.006 0.000 0.966 68 H CA 0.000 56.116 56.048 0.113 0.000 1.165 68 H CB 0.392 30.205 29.762 0.085 0.000 1.433 68 H HN 0.166 nan 8.280 nan 0.000 0.544 69 R N 0.268 120.837 120.500 0.114 0.000 2.565 69 R HA 0.034 4.355 4.340 -0.031 0.000 0.347 69 R C 0.637 176.871 176.300 -0.111 0.000 1.010 69 R CA -0.139 55.936 56.100 -0.042 0.000 1.126 69 R CB 0.207 30.489 30.300 -0.029 0.000 1.331 69 R HN 0.400 nan 8.270 nan 0.000 0.552 70 Y N 0.697 120.953 120.300 -0.073 0.000 2.256 70 Y HA -0.054 4.477 4.550 -0.031 0.000 0.288 70 Y C 1.488 177.286 175.900 -0.171 0.000 1.155 70 Y CA 0.861 58.896 58.100 -0.109 0.000 1.203 70 Y CB -0.256 38.145 38.460 -0.097 0.000 0.980 70 Y HN -0.205 nan 8.280 nan 0.000 0.530 71 K N 0.563 120.429 120.400 -0.891 0.000 2.097 71 K HA -0.182 4.120 4.320 -0.031 0.000 0.205 71 K C 2.111 178.544 176.600 -0.278 0.000 1.050 71 K CA 1.389 57.226 56.287 -0.750 0.000 0.938 71 K CB -0.207 31.605 32.500 -1.146 0.000 0.718 71 K HN 0.559 nan 8.250 nan 0.000 0.442 72 E N 1.360 121.408 120.200 -0.254 0.000 2.058 72 E HA -0.231 4.100 4.350 -0.031 0.000 0.194 72 E C 1.172 177.707 176.600 -0.108 0.000 0.997 72 E CA 1.578 57.891 56.400 -0.146 0.000 0.801 72 E CB 0.135 29.750 29.700 -0.142 0.000 0.746 72 E HN 0.196 nan 8.360 nan 0.000 0.450 73 D N -0.106 120.221 120.400 -0.121 0.000 2.149 73 D HA -0.108 4.513 4.640 -0.031 0.000 0.201 73 D C 2.063 178.266 176.300 -0.162 0.000 0.972 73 D CA 0.734 54.650 54.000 -0.139 0.000 0.835 73 D CB -0.086 40.628 40.800 -0.144 0.000 0.966 73 D HN 0.107 nan 8.370 nan 0.000 0.476 74 V N 1.607 121.462 119.914 -0.098 0.000 2.358 74 V HA -0.203 3.898 4.120 -0.031 0.000 0.246 74 V C 1.988 178.080 176.094 -0.004 0.000 1.047 74 V CA 1.308 63.575 62.300 -0.055 0.000 1.035 74 V CB -0.459 31.460 31.823 0.159 0.000 0.658 74 V HN 0.125 nan 8.190 nan 0.000 0.452 75 N N 0.179 118.913 118.700 0.057 0.000 2.104 75 N HA -0.158 4.563 4.740 -0.031 0.000 0.190 75 N C 1.620 177.129 175.510 -0.003 0.000 1.024 75 N CA 1.258 54.328 53.050 0.034 0.000 0.853 75 N CB -0.534 37.977 38.487 0.040 0.000 1.008 75 N HN 0.347 nan 8.380 nan 0.000 0.424 76 L N 1.619 122.823 121.223 -0.030 0.000 2.017 76 L HA -0.049 4.273 4.340 -0.031 0.000 0.208 76 L C 2.272 179.140 176.870 -0.004 0.000 1.073 76 L CA 1.452 56.275 54.840 -0.029 0.000 0.745 76 L CB -0.766 41.255 42.059 -0.063 0.000 0.894 76 L HN 0.264 nan 8.230 nan 0.000 0.432 77 M N -1.717 117.858 119.600 -0.042 0.000 2.213 77 M HA -0.213 4.249 4.480 -0.031 0.000 0.263 77 M C 2.245 178.620 176.300 0.125 0.000 1.062 77 M CA 2.102 57.421 55.300 0.031 0.000 1.105 77 M CB -0.828 31.683 32.600 -0.147 0.000 1.385 77 M HN 0.180 nan 8.290 nan 0.000 0.417 78 K N 1.334 121.761 120.400 0.044 0.000 2.057 78 K HA -0.130 4.171 4.320 -0.031 0.000 0.206 78 K C 2.198 178.829 176.600 0.052 0.000 1.050 78 K CA 1.890 58.205 56.287 0.047 0.000 0.935 78 K CB -0.145 32.354 32.500 -0.002 0.000 0.715 78 K HN 0.587 nan 8.250 nan 0.000 0.439 79 S N 0.599 116.325 115.700 0.044 0.000 2.442 79 S HA -0.097 4.355 4.470 -0.031 0.000 0.236 79 S C 1.674 176.303 174.600 0.049 0.000 1.007 79 S CA 0.824 59.052 58.200 0.047 0.000 0.965 79 S CB -0.324 62.905 63.200 0.049 0.000 0.773 79 S HN 0.356 nan 8.310 nan 0.000 0.504 80 L N 0.954 122.212 121.223 0.057 0.000 2.611 80 L HA 0.281 4.603 4.340 -0.031 0.000 0.229 80 L C 0.283 177.026 176.870 -0.211 0.000 1.137 80 L CA -0.145 54.694 54.840 -0.001 0.000 0.901 80 L CB -0.676 41.467 42.059 0.140 0.000 1.098 80 L HN 0.218 nan 8.230 nan 0.000 0.456 81 N N -1.049 117.591 118.700 -0.100 0.000 2.829 81 N HA -0.193 4.529 4.740 -0.031 0.000 0.250 81 N C -0.159 175.227 175.510 -0.206 0.000 1.090 81 N CA 0.788 53.762 53.050 -0.127 0.000 0.781 81 N CB -1.630 36.715 38.487 -0.237 0.000 1.124 81 N HN 0.197 nan 8.380 nan 0.000 0.559 82 F N 1.201 121.137 119.950 -0.024 0.000 2.450 82 F HA 0.119 4.628 4.527 -0.031 0.000 0.339 82 F C 1.974 177.791 175.800 0.028 0.000 1.146 82 F CA -0.024 57.953 58.000 -0.040 0.000 1.267 82 F CB 0.564 39.503 39.000 -0.102 0.000 1.178 82 F HN -0.110 nan 8.300 nan 0.000 0.585 83 D N 0.796 121.330 120.400 0.222 0.000 2.355 83 D HA 0.249 4.871 4.640 -0.031 0.000 0.206 83 D C 0.228 176.596 176.300 0.113 0.000 1.010 83 D CA 0.543 54.632 54.000 0.149 0.000 0.875 83 D CB 0.516 41.385 40.800 0.115 0.000 0.966 83 D HN 0.402 nan 8.370 nan 0.000 0.512 84 A N 0.043 122.915 122.820 0.086 0.000 2.606 84 A HA 0.528 4.830 4.320 -0.031 0.000 0.293 84 A C -2.116 175.622 177.584 0.255 0.000 1.082 84 A CA -0.631 51.493 52.037 0.145 0.000 0.685 84 A CB 1.946 20.932 19.000 -0.025 0.000 1.284 84 A HN 0.021 nan 8.150 nan 0.000 0.408 85 Y N 0.890 121.344 120.300 0.257 0.000 2.354 85 Y HA 0.613 5.145 4.550 -0.031 0.000 0.330 85 Y C -0.209 175.921 175.900 0.383 0.000 1.011 85 Y CA -0.850 57.405 58.100 0.257 0.000 1.099 85 Y CB 1.457 40.030 38.460 0.187 0.000 1.179 85 Y HN 0.806 nan 8.280 nan 0.000 0.442 86 R N 7.227 127.755 120.500 0.048 0.000 2.229 86 R HA 0.580 4.901 4.340 -0.031 0.000 0.328 86 R C -1.614 174.448 176.300 -0.395 0.000 1.009 86 R CA -0.244 55.724 56.100 -0.219 0.000 0.864 86 R CB 0.317 30.351 30.300 -0.444 0.000 1.085 86 R HN 0.606 nan 8.270 nan 0.000 0.453 87 F N 0.628 120.312 119.950 -0.443 0.000 2.664 87 F HA 0.634 5.144 4.527 -0.028 0.000 0.317 87 F C -1.186 174.552 175.800 -0.103 0.000 1.108 87 F CA -1.118 56.656 58.000 -0.376 0.000 0.957 87 F CB 1.365 40.058 39.000 -0.512 0.000 1.365 87 F HN 0.417 nan 8.300 nan 0.000 0.475 88 S N 0.836 116.608 115.700 0.120 0.000 2.568 88 S HA 0.765 5.216 4.470 -0.031 0.000 0.302 88 S C -0.990 173.731 174.600 0.201 0.000 1.082 88 S CA -0.770 57.478 58.200 0.079 0.000 1.009 88 S CB 1.574 64.879 63.200 0.174 0.000 1.069 88 S HN 0.729 nan 8.310 nan 0.000 0.500 89 I N 2.386 122.974 120.570 0.030 0.000 2.342 89 I HA 0.264 4.416 4.170 -0.031 0.000 0.291 89 I C 0.569 176.819 176.117 0.222 0.000 1.010 89 I CA -0.376 60.823 61.300 -0.168 0.000 1.308 89 I CB 1.716 39.518 38.000 -0.330 0.000 1.400 89 I HN 0.769 nan 8.210 nan 0.000 0.488 90 S N 6.641 122.563 115.700 0.370 0.000 2.430 90 S HA -0.005 4.447 4.470 -0.031 0.000 0.282 90 S C 0.862 175.748 174.600 0.477 0.000 1.186 90 S CA -0.417 58.051 58.200 0.448 0.000 1.060 90 S CB 0.243 63.723 63.200 0.467 0.000 0.966 90 S HN 0.702 nan 8.310 nan 0.000 0.501 91 W N 4.869 126.286 121.300 0.194 0.000 2.318 91 W HA -0.178 4.462 4.660 -0.032 0.000 0.313 91 W C 2.236 178.786 176.519 0.051 0.000 1.221 91 W CA 2.106 59.381 57.345 -0.116 0.000 1.266 91 W CB -1.243 28.022 29.460 -0.325 0.000 1.150 91 W HN 0.862 nan 8.180 nan 0.000 0.496 92 S N -0.298 115.601 115.700 0.331 0.000 2.561 92 S HA -0.054 4.398 4.470 -0.031 0.000 0.225 92 S C 1.891 176.630 174.600 0.232 0.000 0.977 92 S CA 0.792 59.115 58.200 0.204 0.000 0.926 92 S CB -0.314 62.945 63.200 0.098 0.000 0.769 92 S HN 0.394 nan 8.310 nan 0.000 0.533 93 R N 0.386 121.074 120.500 0.313 0.000 2.127 93 R HA 0.153 4.474 4.340 -0.031 0.000 0.217 93 R C 1.599 178.080 176.300 0.303 0.000 1.074 93 R CA 0.908 57.194 56.100 0.310 0.000 0.991 93 R CB -0.077 30.477 30.300 0.423 0.000 0.895 93 R HN 0.379 nan 8.270 nan 0.000 0.450 94 I N -0.214 120.558 120.570 0.335 0.000 2.296 94 I HA -0.040 4.112 4.170 -0.031 0.000 0.242 94 I C 0.301 176.290 176.117 -0.214 0.000 1.087 94 I CA 1.100 62.478 61.300 0.130 0.000 1.393 94 I CB -0.410 37.743 38.000 0.257 0.000 1.093 94 I HN -0.058 nan 8.210 nan 0.000 0.421 95 F N 1.604 121.660 119.950 0.177 0.000 2.359 95 F HA 0.352 4.862 4.527 -0.029 0.000 0.369 95 F C -1.674 174.168 175.800 0.069 0.000 1.084 95 F CA -1.759 56.302 58.000 0.101 0.000 1.096 95 F CB 0.851 39.946 39.000 0.159 0.000 1.335 95 F HN -0.163 nan 8.300 nan 0.000 0.457 96 P HA -0.156 nan 4.420 nan 0.000 0.218 96 P C 0.631 177.968 177.300 0.061 0.000 1.148 96 P CA 1.456 64.616 63.100 0.101 0.000 0.822 96 P CB 0.291 32.032 31.700 0.068 0.000 0.784 97 D N -2.559 117.888 120.400 0.079 0.000 2.349 97 D HA 0.149 4.771 4.640 -0.031 0.000 0.214 97 D C 1.611 177.890 176.300 -0.035 0.000 1.063 97 D CA 0.781 54.793 54.000 0.020 0.000 0.847 97 D CB 0.035 40.858 40.800 0.039 0.000 0.933 97 D HN 0.137 nan 8.370 nan 0.000 0.513 98 G N 1.712 110.492 108.800 -0.035 0.000 2.225 98 G HA2 -0.271 3.670 3.960 -0.031 0.000 0.254 98 G HA3 -0.271 3.670 3.960 -0.031 0.000 0.254 98 G C 0.197 175.064 174.900 -0.056 0.000 0.988 98 G CA 0.633 45.585 45.100 -0.246 0.000 0.625 98 G HN 0.513 nan 8.290 nan 0.000 0.527 99 E N -1.996 118.185 120.200 -0.032 0.000 2.423 99 E HA 0.551 4.883 4.350 -0.031 0.000 0.280 99 E C 0.694 177.330 176.600 0.060 0.000 1.030 99 E CA -0.443 55.877 56.400 -0.133 0.000 0.812 99 E CB 1.287 30.964 29.700 -0.039 0.000 1.313 99 E HN 1.785 nan 8.360 nan 0.000 0.456 100 G N 1.911 110.754 108.800 0.073 0.000 2.650 100 G HA2 -0.342 3.600 3.960 -0.031 0.000 0.264 100 G HA3 -0.342 3.600 3.960 -0.031 0.000 0.264 100 G C -0.223 174.846 174.900 0.282 0.000 1.263 100 G CA 0.148 45.344 45.100 0.161 0.000 0.960 100 G HN 0.795 nan 8.290 nan 0.000 0.548 101 R N 0.496 121.117 120.500 0.201 0.000 2.489 101 R HA 0.437 4.758 4.340 -0.031 0.000 0.287 101 R C 0.056 176.384 176.300 0.048 0.000 1.053 101 R CA -0.150 56.022 56.100 0.119 0.000 1.036 101 R CB 0.377 30.721 30.300 0.074 0.000 0.966 101 R HN 0.426 nan 8.270 nan 0.000 0.432 102 V N 4.699 124.542 119.914 -0.118 0.000 2.498 102 V HA 0.029 4.130 4.120 -0.031 0.000 0.279 102 V C 0.267 176.259 176.094 -0.170 0.000 1.048 102 V CA -0.545 61.516 62.300 -0.398 0.000 0.967 102 V CB 1.175 32.718 31.823 -0.465 0.000 0.988 102 V HN 0.742 nan 8.190 nan 0.000 0.473 103 N N 4.473 123.081 118.700 -0.153 0.000 2.482 103 N HA 0.112 4.834 4.740 -0.031 0.000 0.242 103 N C 1.053 176.587 175.510 0.040 0.000 1.100 103 N CA -0.113 52.928 53.050 -0.015 0.000 0.946 103 N CB 0.950 39.455 38.487 0.030 0.000 1.227 103 N HN 0.533 nan 8.380 nan 0.000 0.508 104 Q N 1.830 121.663 119.800 0.055 0.000 2.170 104 Q HA -0.198 4.123 4.340 -0.031 0.000 0.203 104 Q C 1.109 177.190 176.000 0.135 0.000 0.976 104 Q CA 1.145 57.007 55.803 0.099 0.000 0.858 104 Q CB -0.052 28.736 28.738 0.082 0.000 0.907 104 Q HN 0.801 nan 8.270 nan 0.000 0.433 105 E N -0.063 120.211 120.200 0.124 0.000 2.110 105 E HA -0.142 4.190 4.350 -0.031 0.000 0.193 105 E C 1.929 178.654 176.600 0.207 0.000 0.988 105 E CA 1.072 57.563 56.400 0.151 0.000 0.804 105 E CB -0.153 29.625 29.700 0.130 0.000 0.745 105 E HN 0.407 nan 8.360 nan 0.000 0.458 106 G N 0.350 109.280 108.800 0.217 0.000 2.402 106 G HA2 -0.214 3.728 3.960 -0.031 0.000 0.216 106 G HA3 -0.214 3.728 3.960 -0.031 0.000 0.216 106 G C 1.646 176.791 174.900 0.409 0.000 1.162 106 G CA 0.821 46.101 45.100 0.300 0.000 0.777 106 G HN 0.221 nan 8.290 nan 0.000 0.539 107 V N 1.691 121.848 119.914 0.405 0.000 2.332 107 V HA -0.179 3.922 4.120 -0.031 0.000 0.248 107 V C 3.335 179.679 176.094 0.416 0.000 1.055 107 V CA 2.072 64.691 62.300 0.531 0.000 1.038 107 V CB -0.893 31.165 31.823 0.392 0.000 0.651 107 V HN 0.474 nan 8.190 nan 0.000 0.450 108 A N -0.904 122.070 122.820 0.257 0.000 1.933 108 A HA -0.269 4.032 4.320 -0.031 0.000 0.218 108 A C 2.154 179.779 177.584 0.069 0.000 1.175 108 A CA 2.063 54.198 52.037 0.164 0.000 0.628 108 A CB -0.758 18.321 19.000 0.131 0.000 0.814 108 A HN 0.651 nan 8.150 nan 0.000 0.444 109 Y N -0.443 119.791 120.300 -0.109 0.000 2.097 109 Y HA -0.292 4.238 4.550 -0.033 0.000 0.282 109 Y C 2.136 177.755 175.900 -0.468 0.000 1.152 109 Y CA 1.997 59.835 58.100 -0.437 0.000 1.136 109 Y CB -0.749 37.336 38.460 -0.625 0.000 0.975 109 Y HN 0.380 nan 8.280 nan 0.000 0.498 110 Y N 0.334 120.493 120.300 -0.235 0.000 2.242 110 Y HA -0.208 4.327 4.550 -0.026 0.000 0.291 110 Y C 2.488 178.214 175.900 -0.289 0.000 1.137 110 Y CA 1.480 59.339 58.100 -0.402 0.000 1.181 110 Y CB -0.923 37.331 38.460 -0.344 0.000 0.989 110 Y HN 0.197 nan 8.280 nan 0.000 0.527 111 N N 0.270 119.055 118.700 0.142 0.000 2.104 111 N HA -0.174 4.547 4.740 -0.031 0.000 0.190 111 N C 1.428 176.928 175.510 -0.016 0.000 1.024 111 N CA 1.258 54.408 53.050 0.167 0.000 0.853 111 N CB -0.466 38.162 38.487 0.234 0.000 1.008 111 N HN 0.376 nan 8.380 nan 0.000 0.424 112 N N 0.962 119.570 118.700 -0.152 0.000 2.120 112 N HA -0.116 4.605 4.740 -0.031 0.000 0.188 112 N C 1.795 177.138 175.510 -0.278 0.000 1.024 112 N CA 0.417 53.360 53.050 -0.178 0.000 0.852 112 N CB -0.530 37.833 38.487 -0.207 0.000 1.003 112 N HN 0.194 nan 8.380 nan 0.000 0.424 113 L N 1.319 122.130 121.223 -0.686 0.000 1.994 113 L HA 0.006 4.328 4.340 -0.031 0.000 0.208 113 L C 1.997 178.744 176.870 -0.205 0.000 1.071 113 L CA 1.304 55.765 54.840 -0.631 0.000 0.745 113 L CB -0.701 40.750 42.059 -1.013 0.000 0.892 113 L HN 0.072 nan 8.230 nan 0.000 0.431 114 I N 0.071 120.553 120.570 -0.146 0.000 2.163 114 I HA -0.329 3.823 4.170 -0.031 0.000 0.243 114 I C 2.112 178.259 176.117 0.049 0.000 1.085 114 I CA 1.390 62.698 61.300 0.012 0.000 1.347 114 I CB -0.574 37.456 38.000 0.050 0.000 1.044 114 I HN 0.392 nan 8.210 nan 0.000 0.408 115 N N 0.022 118.757 118.700 0.057 0.000 2.166 115 N HA -0.230 4.491 4.740 -0.031 0.000 0.186 115 N C 1.810 177.387 175.510 0.111 0.000 1.019 115 N CA 1.342 54.441 53.050 0.083 0.000 0.856 115 N CB -0.517 38.025 38.487 0.092 0.000 0.993 115 N HN 0.370 nan 8.380 nan 0.000 0.426 116 Y N 1.583 121.898 120.300 0.026 0.000 2.200 116 Y HA 0.003 4.538 4.550 -0.024 0.000 0.290 116 Y C 2.183 178.096 175.900 0.023 0.000 1.137 116 Y CA 0.973 59.099 58.100 0.043 0.000 1.163 116 Y CB -0.390 38.141 38.460 0.118 0.000 0.988 116 Y HN -0.050 nan 8.280 nan 0.000 0.518 117 L N -0.646 120.614 121.223 0.060 0.000 1.990 117 L HA -0.319 4.003 4.340 -0.031 0.000 0.213 117 L C 2.430 179.275 176.870 -0.041 0.000 1.072 117 L CA 1.707 56.550 54.840 0.005 0.000 0.755 117 L CB -0.817 41.300 42.059 0.097 0.000 0.889 117 L HN 0.258 nan 8.230 nan 0.000 0.432 118 L N -0.899 120.319 121.223 -0.008 0.000 2.046 118 L HA -0.243 4.078 4.340 -0.031 0.000 0.208 118 L C 2.720 179.553 176.870 -0.062 0.000 1.077 118 L CA 1.230 56.062 54.840 -0.012 0.000 0.747 118 L CB -0.559 41.509 42.059 0.015 0.000 0.896 118 L HN 0.403 nan 8.230 nan 0.000 0.432 119 Q N 0.434 120.170 119.800 -0.106 0.000 2.135 119 Q HA -0.212 4.109 4.340 -0.031 0.000 0.204 119 Q C 1.515 177.389 176.000 -0.211 0.000 0.981 119 Q CA 1.383 57.096 55.803 -0.151 0.000 0.856 119 Q CB 0.218 28.848 28.738 -0.181 0.000 0.902 119 Q HN 0.301 nan 8.270 nan 0.000 0.425 120 K N -0.867 119.356 120.400 -0.294 0.000 2.417 120 K HA 0.104 4.405 4.320 -0.031 0.000 0.196 120 K C 0.683 177.207 176.600 -0.127 0.000 1.023 120 K CA 0.712 56.845 56.287 -0.256 0.000 1.122 120 K CB 0.722 33.002 32.500 -0.365 0.000 0.850 120 K HN 0.422 nan 8.250 nan 0.000 0.521 121 G N 1.999 110.747 108.800 -0.087 0.000 2.160 121 G HA2 -0.201 3.741 3.960 -0.031 0.000 0.244 121 G HA3 -0.201 3.741 3.960 -0.031 0.000 0.244 121 G C -0.030 174.870 174.900 -0.001 0.000 1.022 121 G CA -0.222 44.853 45.100 -0.040 0.000 0.741 121 G HN 0.183 nan 8.290 nan 0.000 0.508 122 I N 1.471 122.049 120.570 0.013 0.000 2.354 122 I HA 0.324 4.475 4.170 -0.031 0.000 0.292 122 I C 0.716 176.907 176.117 0.124 0.000 0.989 122 I CA -0.441 60.904 61.300 0.076 0.000 1.188 122 I CB 1.143 39.184 38.000 0.069 0.000 1.342 122 I HN -0.007 nan 8.210 nan 0.000 0.457 123 T N 8.445 123.098 114.554 0.166 0.000 2.794 123 T HA 0.242 4.573 4.350 -0.031 0.000 0.296 123 T C -2.324 172.556 174.700 0.300 0.000 0.949 123 T CA -1.000 61.215 62.100 0.192 0.000 1.101 123 T CB 0.599 69.585 68.868 0.197 0.000 0.905 123 T HN 0.374 nan 8.240 nan 0.000 0.516 124 P HA 0.247 nan 4.420 nan 0.000 0.282 124 P C -1.337 175.993 177.300 0.049 0.000 1.262 124 P CA -0.496 62.758 63.100 0.256 0.000 0.773 124 P CB 0.349 32.171 31.700 0.204 0.000 0.879 125 Y N 2.030 122.266 120.300 -0.107 0.000 2.356 125 Y HA 0.312 4.843 4.550 -0.032 0.000 0.334 125 Y C 0.223 175.893 175.900 -0.382 0.000 0.958 125 Y CA -0.724 57.252 58.100 -0.207 0.000 1.196 125 Y CB 1.622 39.997 38.460 -0.143 0.000 1.137 125 Y HN 0.077 nan 8.280 nan 0.000 0.485 126 V N 4.142 123.826 119.914 -0.382 0.000 2.378 126 V HA 0.311 4.412 4.120 -0.031 0.000 0.288 126 V C -0.410 175.642 176.094 -0.070 0.000 1.016 126 V CA -1.198 60.760 62.300 -0.568 0.000 0.840 126 V CB 1.360 32.688 31.823 -0.825 0.000 0.994 126 V HN 0.660 nan 8.190 nan 0.000 0.431 127 N N 2.946 121.622 118.700 -0.039 0.000 2.488 127 N HA 0.404 5.125 4.740 -0.031 0.000 0.274 127 N C 0.901 176.504 175.510 0.155 0.000 1.111 127 N CA -0.376 52.768 53.050 0.157 0.000 0.974 127 N CB 1.424 39.995 38.487 0.141 0.000 1.089 127 N HN 0.610 nan 8.380 nan 0.000 0.465 128 L N 1.479 122.831 121.223 0.216 0.000 2.270 128 L HA 0.093 4.415 4.340 -0.031 0.000 0.210 128 L C -0.208 176.991 176.870 0.549 0.000 1.104 128 L CA 0.552 55.527 54.840 0.225 0.000 0.804 128 L CB -0.052 41.989 42.059 -0.029 0.000 0.937 128 L HN 0.587 nan 8.230 nan 0.000 0.450 129 Y N -0.981 119.539 120.300 0.367 0.000 2.441 129 Y HA 0.351 4.883 4.550 -0.030 0.000 0.334 129 Y C -0.904 175.223 175.900 0.380 0.000 1.061 129 Y CA -1.102 57.306 58.100 0.513 0.000 1.032 129 Y CB 1.210 40.078 38.460 0.681 0.000 1.266 129 Y HN -0.029 nan 8.280 nan 0.000 0.441 130 H N 6.510 125.477 119.070 -0.172 0.000 2.600 130 H HA 0.260 4.798 4.556 -0.030 0.000 0.224 130 H C -0.708 174.430 175.328 -0.316 0.000 1.413 130 H CA -0.195 55.717 56.048 -0.226 0.000 1.401 130 H CB -0.277 29.431 29.762 -0.091 0.000 1.772 130 H HN 0.934 nan 8.280 nan 0.000 0.528 131 Y N -0.459 119.581 120.300 -0.434 0.000 4.779 131 Y HA -0.341 4.190 4.550 -0.031 0.000 0.284 131 Y C 0.241 176.107 175.900 -0.057 0.000 0.973 131 Y CA 0.548 58.522 58.100 -0.210 0.000 1.792 131 Y CB -0.906 37.335 38.460 -0.364 0.000 1.120 131 Y HN 0.558 nan 8.280 nan 0.000 0.450 132 D N 1.644 121.995 120.400 -0.082 0.000 3.110 132 D HA 0.311 4.933 4.640 -0.031 0.000 0.254 132 D C -0.036 176.405 176.300 0.235 0.000 1.283 132 D CA -0.261 53.842 54.000 0.173 0.000 0.944 132 D CB -0.058 40.877 40.800 0.224 0.000 1.066 132 D HN 0.235 nan 8.370 nan 0.000 0.496 133 L N 1.000 122.460 121.223 0.394 0.000 2.540 133 L HA 0.186 4.508 4.340 -0.031 0.000 0.276 133 L C -2.314 174.565 176.870 0.015 0.000 1.212 133 L CA -1.044 54.011 54.840 0.358 0.000 0.893 133 L CB 0.145 42.419 42.059 0.358 0.000 1.138 133 L HN -0.051 nan 8.230 nan 0.000 0.491 134 P HA -0.087 nan 4.420 nan 0.000 0.262 134 P C 0.444 177.640 177.300 -0.173 0.000 1.182 134 P CA -0.012 62.940 63.100 -0.247 0.000 0.761 134 P CB 0.534 31.938 31.700 -0.494 0.000 0.795 135 L N 5.262 126.433 121.223 -0.086 0.000 2.079 135 L HA -0.220 4.102 4.340 -0.031 0.000 0.210 135 L C 2.114 178.933 176.870 -0.086 0.000 1.081 135 L CA 2.294 57.094 54.840 -0.067 0.000 0.752 135 L CB -1.351 40.686 42.059 -0.036 0.000 0.896 135 L HN 0.418 nan 8.230 nan 0.000 0.433 136 A N -0.809 121.954 122.820 -0.094 0.000 1.972 136 A HA -0.156 4.145 4.320 -0.031 0.000 0.219 136 A C 2.226 179.760 177.584 -0.084 0.000 1.169 136 A CA 1.896 53.883 52.037 -0.084 0.000 0.635 136 A CB -0.747 18.212 19.000 -0.069 0.000 0.810 136 A HN 0.518 nan 8.150 nan 0.000 0.446 137 L N -1.214 119.932 121.223 -0.129 0.000 2.179 137 L HA -0.115 4.207 4.340 -0.031 0.000 0.208 137 L C 2.578 179.408 176.870 -0.067 0.000 1.096 137 L CA 1.418 56.215 54.840 -0.071 0.000 0.779 137 L CB -0.461 41.403 42.059 -0.326 0.000 0.922 137 L HN 0.427 nan 8.230 nan 0.000 0.443 138 E N 1.173 121.302 120.200 -0.119 0.000 2.051 138 E HA -0.219 4.112 4.350 -0.031 0.000 0.192 138 E C 2.094 178.655 176.600 -0.064 0.000 0.991 138 E CA 1.639 57.986 56.400 -0.088 0.000 0.799 138 E CB 0.063 29.720 29.700 -0.072 0.000 0.748 138 E HN 0.258 nan 8.360 nan 0.000 0.449 139 K N -0.106 120.250 120.400 -0.073 0.000 2.062 139 K HA -0.102 4.199 4.320 -0.031 0.000 0.205 139 K C 2.275 178.807 176.600 -0.114 0.000 1.051 139 K CA 1.347 57.587 56.287 -0.079 0.000 0.941 139 K CB -0.100 32.355 32.500 -0.076 0.000 0.719 139 K HN 0.017 nan 8.250 nan 0.000 0.440 140 K N -0.222 120.083 120.400 -0.158 0.000 2.137 140 K HA -0.075 4.227 4.320 -0.031 0.000 0.202 140 K C 1.071 177.412 176.600 -0.431 0.000 1.052 140 K CA 1.170 57.257 56.287 -0.334 0.000 0.961 140 K CB 0.226 32.440 32.500 -0.477 0.000 0.741 140 K HN 0.128 nan 8.250 nan 0.000 0.452 141 Y N -1.435 118.794 120.300 -0.117 0.000 2.430 141 Y HA 0.263 4.794 4.550 -0.031 0.000 0.254 141 Y C 1.060 176.890 175.900 -0.116 0.000 1.088 141 Y CA 0.139 58.167 58.100 -0.120 0.000 1.267 141 Y CB 1.698 40.063 38.460 -0.159 0.000 1.204 141 Y HN 0.259 nan 8.280 nan 0.000 0.515 142 G N 0.427 109.238 108.800 0.018 0.000 2.136 142 G HA2 -0.054 3.887 3.960 -0.031 0.000 0.242 142 G HA3 -0.054 3.887 3.960 -0.031 0.000 0.242 142 G C 0.974 175.853 174.900 -0.036 0.000 0.989 142 G CA 0.116 45.214 45.100 -0.003 0.000 0.682 142 G HN 0.992 nan 8.290 nan 0.000 0.522 143 G N -0.654 108.069 108.800 -0.129 0.000 2.596 143 G HA2 -0.319 3.622 3.960 -0.031 0.000 0.295 143 G HA3 -0.319 3.622 3.960 -0.031 0.000 0.295 143 G C 0.896 175.545 174.900 -0.420 0.000 1.240 143 G CA 1.008 45.901 45.100 -0.345 0.000 0.985 143 G HN 1.107 nan 8.290 nan 0.000 0.555 144 W N 0.843 122.047 121.300 -0.160 0.000 2.961 144 W HA 0.358 4.999 4.660 -0.032 0.000 0.240 144 W C 2.450 178.763 176.519 -0.344 0.000 1.305 144 W CA 0.233 57.343 57.345 -0.391 0.000 1.465 144 W CB -0.235 28.821 29.460 -0.674 0.000 1.135 144 W HN 0.306 nan 8.180 nan 0.000 0.688 145 L N 0.187 121.369 121.223 -0.069 0.000 2.376 145 L HA -0.047 4.275 4.340 -0.031 0.000 0.219 145 L C 1.069 177.912 176.870 -0.045 0.000 1.133 145 L CA 0.546 55.346 54.840 -0.067 0.000 0.816 145 L CB -0.546 41.515 42.059 0.002 0.000 0.933 145 L HN -0.100 nan 8.230 nan 0.000 0.449 146 N N 0.316 118.977 118.700 -0.065 0.000 2.425 146 N HA 0.222 4.943 4.740 -0.031 0.000 0.268 146 N C 0.692 176.167 175.510 -0.057 0.000 0.991 146 N CA 0.240 53.262 53.050 -0.045 0.000 0.931 146 N CB 1.987 40.456 38.487 -0.030 0.000 1.130 146 N HN -0.003 nan 8.380 nan 0.000 0.493 147 A N 3.818 126.629 122.820 -0.015 0.000 2.076 147 A HA -0.160 4.141 4.320 -0.031 0.000 0.220 147 A C 1.880 179.453 177.584 -0.019 0.000 1.160 147 A CA 1.304 53.343 52.037 0.004 0.000 0.653 147 A CB -0.211 18.809 19.000 0.033 0.000 0.801 147 A HN 0.690 nan 8.150 nan 0.000 0.455 148 K N -0.562 119.807 120.400 -0.052 0.000 2.360 148 K HA -0.060 4.242 4.320 -0.031 0.000 0.201 148 K C 1.648 178.142 176.600 -0.177 0.000 1.046 148 K CA 1.090 57.316 56.287 -0.102 0.000 0.945 148 K CB -0.351 32.081 32.500 -0.113 0.000 0.750 148 K HN 0.343 nan 8.250 nan 0.000 0.464 149 M N -0.109 119.374 119.600 -0.196 0.000 2.267 149 M HA -0.095 4.367 4.480 -0.031 0.000 0.263 149 M C 2.040 178.365 176.300 0.042 0.000 1.063 149 M CA 1.601 56.769 55.300 -0.220 0.000 1.090 149 M CB -1.240 31.096 32.600 -0.440 0.000 1.392 149 M HN 0.290 nan 8.290 nan 0.000 0.422 150 A N 0.317 123.187 122.820 0.083 0.000 1.877 150 A HA -0.188 4.113 4.320 -0.031 0.000 0.216 150 A C 1.932 179.601 177.584 0.141 0.000 1.186 150 A CA 2.018 54.158 52.037 0.171 0.000 0.620 150 A CB -0.676 18.398 19.000 0.122 0.000 0.822 150 A HN 0.375 nan 8.150 nan 0.000 0.443 151 D N -0.021 120.408 120.400 0.049 0.000 2.097 151 D HA -0.093 4.529 4.640 -0.031 0.000 0.197 151 D C 1.981 178.285 176.300 0.007 0.000 0.984 151 D CA 1.080 55.089 54.000 0.015 0.000 0.826 151 D CB -0.369 40.417 40.800 -0.023 0.000 0.973 151 D HN 0.442 nan 8.370 nan 0.000 0.460 152 L N -0.367 120.847 121.223 -0.015 0.000 2.046 152 L HA -0.147 4.175 4.340 -0.031 0.000 0.208 152 L C 2.343 179.334 176.870 0.203 0.000 1.077 152 L CA 0.789 55.647 54.840 0.029 0.000 0.747 152 L CB -0.386 41.614 42.059 -0.097 0.000 0.896 152 L HN -0.020 nan 8.230 nan 0.000 0.432 153 F N 0.618 120.642 119.950 0.122 0.000 2.186 153 F HA -0.189 4.319 4.527 -0.031 0.000 0.299 153 F C 2.468 178.209 175.800 -0.099 0.000 1.090 153 F CA 1.772 59.788 58.000 0.028 0.000 1.307 153 F CB -0.441 38.717 39.000 0.262 0.000 1.019 153 F HN -0.076 nan 8.300 nan 0.000 0.489 154 T N 0.228 114.744 114.554 -0.064 0.000 2.746 154 T HA -0.157 4.174 4.350 -0.031 0.000 0.267 154 T C 1.756 176.306 174.700 -0.250 0.000 1.039 154 T CA 1.552 63.543 62.100 -0.182 0.000 1.142 154 T CB -0.206 68.655 68.868 -0.013 0.000 0.866 154 T HN 0.212 nan 8.240 nan 0.000 0.444 155 E N 0.450 120.553 120.200 -0.163 0.000 2.106 155 E HA -0.082 4.250 4.350 -0.031 0.000 0.192 155 E C 1.863 178.343 176.600 -0.200 0.000 0.984 155 E CA 0.862 57.179 56.400 -0.139 0.000 0.806 155 E CB -0.468 29.170 29.700 -0.102 0.000 0.750 155 E HN 0.643 nan 8.360 nan 0.000 0.458 156 Y N 1.535 121.540 120.300 -0.492 0.000 2.145 156 Y HA -0.143 4.388 4.550 -0.032 0.000 0.286 156 Y C 2.228 177.755 175.900 -0.621 0.000 1.145 156 Y CA 1.469 59.217 58.100 -0.586 0.000 1.148 156 Y CB -0.692 37.107 38.460 -1.102 0.000 0.981 156 Y HN -0.022 nan 8.280 nan 0.000 0.507 157 A N 0.283 122.364 122.820 -1.232 0.000 1.883 157 A HA -0.247 4.055 4.320 -0.031 0.000 0.217 157 A C 2.216 178.922 177.584 -1.463 0.000 1.186 157 A CA 1.984 53.042 52.037 -1.631 0.000 0.624 157 A CB -1.215 16.858 19.000 -1.546 0.000 0.822 157 A HN 0.634 nan 8.150 nan 0.000 0.444 158 D N -1.098 118.887 120.400 -0.692 0.000 2.104 158 D HA -0.207 4.415 4.640 -0.031 0.000 0.194 158 D C 1.781 177.909 176.300 -0.287 0.000 0.994 158 D CA 1.659 55.506 54.000 -0.255 0.000 0.830 158 D CB -0.279 40.539 40.800 0.029 0.000 0.959 158 D HN 0.390 nan 8.370 nan 0.000 0.452 159 F N 1.222 121.000 119.950 -0.286 0.000 2.095 159 F HA -0.246 4.262 4.527 -0.032 0.000 0.298 159 F C 2.612 178.224 175.800 -0.314 0.000 1.104 159 F CA 1.599 59.508 58.000 -0.152 0.000 1.232 159 F CB -0.481 38.614 39.000 0.159 0.000 0.987 159 F HN 0.102 nan 8.300 nan 0.000 0.475 160 C N 0.195 119.263 119.300 -0.387 0.000 2.429 160 C HA -0.164 4.278 4.460 -0.031 0.000 0.277 160 C C 2.633 177.385 174.990 -0.397 0.000 1.262 160 C CA 0.620 59.436 59.018 -0.336 0.000 1.733 160 C CB -1.673 25.787 27.740 -0.467 0.000 2.010 160 C HN 0.478 nan 8.230 nan 0.000 0.483 161 F N 1.710 121.224 119.950 -0.727 0.000 2.102 161 F HA -0.117 4.392 4.527 -0.031 0.000 0.298 161 F C 2.392 177.751 175.800 -0.736 0.000 1.105 161 F CA 1.612 59.135 58.000 -0.794 0.000 1.239 161 F CB -1.186 37.138 39.000 -1.127 0.000 0.991 161 F HN 0.245 nan 8.300 nan 0.000 0.474 162 K N -0.223 119.760 120.400 -0.696 0.000 2.057 162 K HA -0.156 4.145 4.320 -0.031 0.000 0.207 162 K C 1.815 178.174 176.600 -0.403 0.000 1.049 162 K CA 1.986 58.015 56.287 -0.430 0.000 0.931 162 K CB -0.246 32.100 32.500 -0.256 0.000 0.714 162 K HN 0.227 nan 8.250 nan 0.000 0.440 163 T N -0.379 113.764 114.554 -0.685 0.000 2.978 163 T HA 0.029 4.360 4.350 -0.031 0.000 0.262 163 T C 0.921 175.200 174.700 -0.702 0.000 1.063 163 T CA 0.875 62.434 62.100 -0.900 0.000 1.140 163 T CB -0.012 67.900 68.868 -1.594 0.000 0.886 163 T HN 0.172 nan 8.240 nan 0.000 0.470 164 F N 0.071 120.019 119.950 -0.003 0.000 2.746 164 F HA 0.433 4.941 4.527 -0.032 0.000 0.313 164 F C 2.251 178.158 175.800 0.179 0.000 1.095 164 F CA -0.786 57.282 58.000 0.114 0.000 1.224 164 F CB -0.474 38.645 39.000 0.197 0.000 1.060 164 F HN 0.128 nan 8.300 nan 0.000 0.584 165 G N 0.212 109.246 108.800 0.389 0.000 2.598 165 G HA2 -0.185 3.756 3.960 -0.031 0.000 0.215 165 G HA3 -0.185 3.756 3.960 -0.031 0.000 0.215 165 G C 1.450 176.478 174.900 0.214 0.000 1.131 165 G CA 0.552 45.911 45.100 0.433 0.000 0.785 165 G HN 0.166 nan 8.290 nan 0.000 0.539 166 N N 0.323 119.101 118.700 0.130 0.000 2.381 166 N HA 0.007 4.728 4.740 -0.031 0.000 0.182 166 N C 2.152 177.702 175.510 0.068 0.000 1.025 166 N CA 0.569 53.666 53.050 0.080 0.000 0.888 166 N CB -0.008 38.510 38.487 0.051 0.000 0.965 166 N HN 0.378 nan 8.380 nan 0.000 0.438 167 R N -0.737 119.813 120.500 0.084 0.000 2.194 167 R HA 0.254 4.575 4.340 -0.031 0.000 0.194 167 R C 0.025 176.317 176.300 -0.013 0.000 0.985 167 R CA 0.045 56.175 56.100 0.049 0.000 1.104 167 R CB 0.586 30.930 30.300 0.075 0.000 1.092 167 R HN -0.120 nan 8.270 nan 0.000 0.555 168 V N 2.959 122.837 119.914 -0.059 0.000 2.432 168 V HA 0.101 4.202 4.120 -0.031 0.000 0.271 168 V C 0.503 176.374 176.094 -0.370 0.000 1.046 168 V CA 0.244 62.338 62.300 -0.343 0.000 0.945 168 V CB 1.480 32.838 31.823 -0.775 0.000 0.992 168 V HN 0.178 nan 8.190 nan 0.000 0.471 169 K N 2.644 122.801 120.400 -0.404 0.000 2.402 169 K HA 0.241 4.543 4.320 -0.031 0.000 0.204 169 K C -0.178 175.969 176.600 -0.756 0.000 1.056 169 K CA 0.110 56.140 56.287 -0.428 0.000 1.069 169 K CB 0.461 32.744 32.500 -0.363 0.000 0.888 169 K HN 0.760 nan 8.250 nan 0.000 0.546 170 H N -0.833 117.825 119.070 -0.687 0.000 2.860 170 H HA 0.299 4.837 4.556 -0.031 0.000 0.312 170 H C -1.185 173.692 175.328 -0.752 0.000 0.995 170 H CA -0.542 55.085 56.048 -0.702 0.000 1.311 170 H CB 0.451 29.446 29.762 -1.278 0.000 1.478 170 H HN -0.052 nan 8.280 nan 0.000 0.508 171 W N 2.878 123.953 121.300 -0.374 0.000 2.647 171 W HA 0.626 5.267 4.660 -0.031 0.000 0.353 171 W C -0.861 175.366 176.519 -0.487 0.000 1.080 171 W CA -0.723 56.416 57.345 -0.344 0.000 1.208 171 W CB 1.245 30.539 29.460 -0.276 0.000 1.396 171 W HN 0.322 nan 8.180 nan 0.000 0.573 172 F N 0.302 120.405 119.950 0.254 0.000 2.576 172 F HA 0.318 4.826 4.527 -0.031 0.000 0.313 172 F C 1.297 177.155 175.800 0.097 0.000 1.078 172 F CA -0.820 57.278 58.000 0.163 0.000 0.921 172 F CB 1.954 41.011 39.000 0.094 0.000 1.232 172 F HN 0.403 nan 8.300 nan 0.000 0.459 173 T N -1.110 113.577 114.554 0.221 0.000 2.739 173 T HA 0.190 4.521 4.350 -0.031 0.000 0.246 173 T C 0.359 174.894 174.700 -0.275 0.000 1.058 173 T CA 0.861 62.917 62.100 -0.073 0.000 1.184 173 T CB -0.238 68.512 68.868 -0.197 0.000 0.887 173 T HN 0.246 nan 8.240 nan 0.000 0.408 174 F N 1.422 121.447 119.950 0.126 0.000 2.541 174 F HA 0.623 5.131 4.527 -0.031 0.000 0.331 174 F C 0.103 175.794 175.800 -0.181 0.000 1.057 174 F CA -1.438 56.532 58.000 -0.050 0.000 0.975 174 F CB 1.429 40.205 39.000 -0.373 0.000 1.246 174 F HN 0.147 nan 8.300 nan 0.000 0.484 175 N N 0.580 119.240 118.700 -0.066 0.000 2.442 175 N HA 0.228 4.950 4.740 -0.031 0.000 0.274 175 N C -1.549 173.715 175.510 -0.410 0.000 1.002 175 N CA -0.352 52.464 53.050 -0.390 0.000 0.910 175 N CB 0.742 38.712 38.487 -0.862 0.000 1.244 175 N HN 0.599 nan 8.380 nan 0.000 0.492 176 Q N 1.710 121.262 119.800 -0.414 0.000 2.453 176 Q HA -0.144 4.178 4.340 -0.031 0.000 0.330 176 Q C -1.691 173.983 176.000 -0.544 0.000 1.417 176 Q CA 0.314 55.883 55.803 -0.390 0.000 0.902 176 Q CB -0.781 27.822 28.738 -0.225 0.000 1.154 176 Q HN 0.663 nan 8.270 nan 0.000 0.395 177 P HA -0.244 nan 4.420 nan 0.000 0.219 177 P C 1.071 177.881 177.300 -0.817 0.000 1.146 177 P CA 1.147 63.463 63.100 -1.306 0.000 0.808 177 P CB -0.021 30.650 31.700 -1.715 0.000 0.779 178 R N -0.135 119.942 120.500 -0.705 0.000 2.091 178 R HA -0.110 4.212 4.340 -0.031 0.000 0.238 178 R C 2.166 178.362 176.300 -0.174 0.000 1.136 178 R CA 1.335 57.275 56.100 -0.266 0.000 0.959 178 R CB -0.408 29.877 30.300 -0.024 0.000 0.856 178 R HN 0.088 nan 8.270 nan 0.000 0.437 179 I N 0.431 120.858 120.570 -0.239 0.000 2.353 179 I HA -0.170 3.982 4.170 -0.031 0.000 0.248 179 I C 2.358 178.299 176.117 -0.292 0.000 1.119 179 I CA 0.810 61.973 61.300 -0.229 0.000 1.417 179 I CB -0.858 36.996 38.000 -0.242 0.000 1.078 179 I HN 0.031 nan 8.210 nan 0.000 0.421 180 V N 1.586 121.293 119.914 -0.344 0.000 2.295 180 V HA -0.262 3.839 4.120 -0.031 0.000 0.246 180 V C 2.861 178.957 176.094 0.004 0.000 1.049 180 V CA 1.899 64.063 62.300 -0.227 0.000 1.024 180 V CB -1.158 30.591 31.823 -0.124 0.000 0.648 180 V HN 0.441 nan 8.190 nan 0.000 0.447 181 A N -0.239 122.555 122.820 -0.044 0.000 1.877 181 A HA -0.177 4.124 4.320 -0.031 0.000 0.216 181 A C 2.164 179.780 177.584 0.053 0.000 1.186 181 A CA 2.121 54.171 52.037 0.022 0.000 0.620 181 A CB -0.562 18.369 19.000 -0.114 0.000 0.822 181 A HN 0.452 nan 8.150 nan 0.000 0.443 182 L N -0.328 120.895 121.223 -0.001 0.000 1.988 182 L HA -0.053 4.269 4.340 -0.031 0.000 0.207 182 L C 2.235 179.108 176.870 0.004 0.000 1.071 182 L CA 1.864 56.736 54.840 0.054 0.000 0.744 182 L CB -0.407 41.717 42.059 0.107 0.000 0.893 182 L HN 0.381 nan 8.230 nan 0.000 0.433 183 L N -1.119 120.058 121.223 -0.077 0.000 2.209 183 L HA 0.088 4.410 4.340 -0.031 0.000 0.207 183 L C 2.393 179.163 176.870 -0.166 0.000 1.094 183 L CA 0.786 55.551 54.840 -0.125 0.000 0.790 183 L CB -1.072 40.874 42.059 -0.187 0.000 0.932 183 L HN 0.440 nan 8.230 nan 0.000 0.447 184 G N -1.288 107.409 108.800 -0.171 0.000 2.494 184 G HA2 -0.174 3.767 3.960 -0.031 0.000 0.216 184 G HA3 -0.174 3.767 3.960 -0.031 0.000 0.216 184 G C 1.001 175.588 174.900 -0.521 0.000 1.140 184 G CA 0.449 45.339 45.100 -0.351 0.000 0.801 184 G HN 0.365 nan 8.290 nan 0.000 0.536 185 Y N -1.691 118.568 120.300 -0.067 0.000 2.515 185 Y HA 0.239 4.771 4.550 -0.031 0.000 0.267 185 Y C 1.633 177.517 175.900 -0.027 0.000 1.058 185 Y CA -0.151 57.926 58.100 -0.039 0.000 1.231 185 Y CB 0.754 39.197 38.460 -0.029 0.000 1.350 185 Y HN 0.135 nan 8.280 nan 0.000 0.554 186 D N 0.089 120.548 120.400 0.097 0.000 2.735 186 D HA -0.041 4.580 4.640 -0.031 0.000 0.267 186 D C 1.561 177.874 176.300 0.022 0.000 1.081 186 D CA 1.239 55.282 54.000 0.071 0.000 0.980 186 D CB 0.238 41.106 40.800 0.113 0.000 1.129 186 D HN 0.254 nan 8.370 nan 0.000 0.459 187 Q N -0.352 119.447 119.800 -0.002 0.000 2.269 187 Q HA 0.201 4.522 4.340 -0.031 0.000 0.201 187 Q C 0.971 176.949 176.000 -0.036 0.000 0.946 187 Q CA 0.742 56.531 55.803 -0.023 0.000 0.877 187 Q CB 0.497 29.216 28.738 -0.032 0.000 0.963 187 Q HN 0.473 nan 8.270 nan 0.000 0.472 188 G N 1.541 110.302 108.800 -0.065 0.000 2.198 188 G HA2 -0.298 3.644 3.960 -0.031 0.000 0.260 188 G HA3 -0.298 3.644 3.960 -0.031 0.000 0.260 188 G C 0.674 175.535 174.900 -0.066 0.000 1.025 188 G CA 0.815 45.860 45.100 -0.093 0.000 0.769 188 G HN 0.469 nan 8.290 nan 0.000 0.507 189 T N -3.792 110.722 114.554 -0.066 0.000 3.040 189 T HA 0.341 4.673 4.350 -0.031 0.000 0.250 189 T C 0.701 175.360 174.700 -0.068 0.000 1.058 189 T CA 0.560 62.658 62.100 -0.003 0.000 0.988 189 T CB 0.638 69.517 68.868 0.019 0.000 0.993 189 T HN 0.251 nan 8.240 nan 0.000 0.519 190 N N 2.105 120.639 118.700 -0.277 0.000 2.362 190 N HA 0.539 5.261 4.740 -0.031 0.000 0.299 190 N C -3.054 171.997 175.510 -0.765 0.000 1.170 190 N CA -2.143 50.512 53.050 -0.658 0.000 0.825 190 N CB 1.678 39.877 38.487 -0.481 0.000 1.299 190 N HN 0.015 nan 8.380 nan 0.000 0.502 191 P HA 0.107 nan 4.420 nan 0.000 0.266 191 P C -2.143 174.859 177.300 -0.497 0.000 1.195 191 P CA -0.754 61.909 63.100 -0.728 0.000 0.768 191 P CB 0.259 31.443 31.700 -0.859 0.000 0.838 192 P HA 0.066 nan 4.420 nan 0.000 0.256 192 P C -0.234 176.905 177.300 -0.269 0.000 1.384 192 P CA -0.096 62.815 63.100 -0.315 0.000 0.879 192 P CB -0.098 31.439 31.700 -0.272 0.000 1.403 193 K N -0.139 120.085 120.400 -0.293 0.000 3.150 193 K HA -0.163 4.139 4.320 -0.031 0.000 0.267 193 K C -0.127 176.374 176.600 -0.165 0.000 1.028 193 K CA 0.482 56.670 56.287 -0.165 0.000 0.753 193 K CB -1.452 31.028 32.500 -0.033 0.000 1.288 193 K HN 0.414 nan 8.250 nan 0.000 0.473 194 R N 0.061 120.406 120.500 -0.258 0.000 2.474 194 R HA 0.646 4.967 4.340 -0.031 0.000 0.295 194 R C 0.104 176.353 176.300 -0.084 0.000 0.980 194 R CA -0.109 55.894 56.100 -0.162 0.000 0.934 194 R CB 1.477 31.670 30.300 -0.178 0.000 1.101 194 R HN 0.530 nan 8.270 nan 0.000 0.469 195 C N -1.356 117.930 119.300 -0.025 0.000 3.165 195 C HA 0.255 4.697 4.460 -0.031 0.000 0.345 195 C C 1.591 176.587 174.990 0.010 0.000 1.367 195 C CA -0.803 58.216 59.018 0.003 0.000 1.205 195 C CB 1.118 28.850 27.740 -0.012 0.000 1.447 195 C HN 0.815 nan 8.230 nan 0.000 0.451 196 T N 1.093 115.657 114.554 0.016 0.000 2.684 196 T HA -0.183 4.148 4.350 -0.031 0.000 0.267 196 T C 1.549 176.252 174.700 0.005 0.000 1.036 196 T CA 2.404 64.513 62.100 0.014 0.000 1.148 196 T CB -0.363 68.514 68.868 0.015 0.000 0.863 196 T HN 0.916 nan 8.240 nan 0.000 0.436 197 K N 0.185 120.585 120.400 -0.001 0.000 2.444 197 K HA 0.166 4.467 4.320 -0.031 0.000 0.193 197 K C 0.396 176.991 176.600 -0.008 0.000 1.024 197 K CA -0.018 56.267 56.287 -0.004 0.000 1.077 197 K CB -0.296 32.201 32.500 -0.005 0.000 0.833 197 K HN 0.210 nan 8.250 nan 0.000 0.517 198 C N 1.824 121.118 119.300 -0.011 0.000 2.644 198 C HA 0.295 4.736 4.460 -0.031 0.000 0.417 198 C C 2.078 177.057 174.990 -0.018 0.000 1.304 198 C CA -0.199 58.808 59.018 -0.018 0.000 2.035 198 C CB 0.758 28.480 27.740 -0.029 0.000 2.673 198 C HN 0.638 nan 8.230 nan 0.000 0.602 199 A N 2.690 125.497 122.820 -0.021 0.000 1.940 199 A HA -0.049 4.252 4.320 -0.031 0.000 0.219 199 A C 2.167 179.738 177.584 -0.023 0.000 1.176 199 A CA 2.126 54.151 52.037 -0.020 0.000 0.631 199 A CB -0.634 18.352 19.000 -0.023 0.000 0.814 199 A HN 1.135 nan 8.150 nan 0.000 0.446 200 A N -1.653 121.149 122.820 -0.030 0.000 2.206 200 A HA 0.448 4.749 4.320 -0.031 0.000 0.211 200 A C 1.490 179.059 177.584 -0.025 0.000 1.158 200 A CA 1.421 53.438 52.037 -0.034 0.000 0.761 200 A CB -1.063 17.906 19.000 -0.052 0.000 0.801 200 A HN 2.166 nan 8.150 nan 0.000 0.473 201 G N -2.923 105.866 108.800 -0.018 0.000 2.631 201 G HA2 0.493 4.435 3.960 -0.031 0.000 0.504 201 G HA3 0.493 4.435 3.960 -0.031 0.000 0.504 201 G C 0.430 175.332 174.900 0.003 0.000 1.306 201 G CA -0.161 44.937 45.100 -0.005 0.000 0.897 201 G HN 2.448 nan 8.290 nan 0.000 0.520 202 G N -0.875 107.938 108.800 0.023 0.000 2.347 202 G HA2 0.496 4.438 3.960 -0.031 0.000 0.341 202 G HA3 0.496 4.438 3.960 -0.031 0.000 0.341 202 G C -1.114 173.816 174.900 0.049 0.000 1.287 202 G CA 0.452 45.581 45.100 0.049 0.000 0.984 202 G HN 2.395 nan 8.290 nan 0.000 0.526 203 N N -0.702 118.041 118.700 0.070 0.000 2.812 203 N HA 0.349 5.070 4.740 -0.031 0.000 0.262 203 N C 0.760 176.319 175.510 0.082 0.000 1.241 203 N CA 0.209 53.297 53.050 0.064 0.000 0.854 203 N CB 1.421 39.944 38.487 0.060 0.000 1.506 203 N HN 0.463 nan 8.380 nan 0.000 0.576 204 S N 1.089 116.830 115.700 0.068 0.000 2.474 204 S HA -0.037 4.414 4.470 -0.031 0.000 0.235 204 S C 1.601 176.260 174.600 0.098 0.000 0.997 204 S CA 1.075 59.320 58.200 0.075 0.000 0.949 204 S CB 0.178 63.407 63.200 0.048 0.000 0.766 204 S HN 0.673 nan 8.310 nan 0.000 0.517 205 A N 1.155 124.041 122.820 0.110 0.000 2.147 205 A HA 0.101 4.403 4.320 -0.031 0.000 0.211 205 A C 2.153 179.886 177.584 0.249 0.000 1.160 205 A CA 1.230 53.368 52.037 0.168 0.000 0.781 205 A CB -0.323 18.743 19.000 0.110 0.000 0.842 205 A HN 0.572 nan 8.150 nan 0.000 0.475 206 T N -4.097 110.567 114.554 0.183 0.000 3.058 206 T HA 0.134 4.465 4.350 -0.031 0.000 0.247 206 T C 1.497 176.292 174.700 0.158 0.000 0.987 206 T CA 0.634 62.850 62.100 0.194 0.000 1.062 206 T CB -0.238 68.689 68.868 0.098 0.000 1.048 206 T HN 0.342 nan 8.240 nan 0.000 0.468 207 E N 2.310 122.567 120.200 0.095 0.000 2.110 207 E HA -0.028 4.304 4.350 -0.031 0.000 0.193 207 E C -0.734 175.822 176.600 -0.074 0.000 0.988 207 E CA 1.278 57.697 56.400 0.030 0.000 0.804 207 E CB -1.057 28.720 29.700 0.130 0.000 0.745 207 E HN 0.451 nan 8.360 nan 0.000 0.458 208 P HA -0.176 nan 4.420 nan 0.000 0.216 208 P C 0.734 177.971 177.300 -0.105 0.000 1.150 208 P CA 1.280 64.284 63.100 -0.160 0.000 0.837 208 P CB -0.089 31.424 31.700 -0.311 0.000 0.786 209 Y N -1.225 119.154 120.300 0.130 0.000 2.263 209 Y HA -0.060 4.471 4.550 -0.031 0.000 0.292 209 Y C 2.340 178.271 175.900 0.050 0.000 1.130 209 Y CA 0.692 58.887 58.100 0.157 0.000 1.179 209 Y CB -1.285 37.181 38.460 0.010 0.000 0.998 209 Y HN -0.108 nan 8.280 nan 0.000 0.532 210 I N -1.073 119.559 120.570 0.103 0.000 2.179 210 I HA -0.279 3.873 4.170 -0.031 0.000 0.242 210 I C 2.154 178.252 176.117 -0.032 0.000 1.088 210 I CA 1.063 62.373 61.300 0.017 0.000 1.357 210 I CB -0.557 37.425 38.000 -0.031 0.000 1.051 210 I HN 0.020 nan 8.210 nan 0.000 0.409 211 V N 0.997 120.808 119.914 -0.171 0.000 2.295 211 V HA -0.309 3.793 4.120 -0.031 0.000 0.246 211 V C 2.712 178.710 176.094 -0.159 0.000 1.049 211 V CA 2.066 64.191 62.300 -0.292 0.000 1.024 211 V CB -1.014 30.471 31.823 -0.563 0.000 0.648 211 V HN 0.506 nan 8.190 nan 0.000 0.447 212 A N -0.829 121.937 122.820 -0.090 0.000 1.902 212 A HA -0.307 3.994 4.320 -0.031 0.000 0.217 212 A C 2.087 179.690 177.584 0.031 0.000 1.181 212 A CA 2.336 54.292 52.037 -0.136 0.000 0.623 212 A CB -0.848 17.731 19.000 -0.701 0.000 0.818 212 A HN 0.712 nan 8.150 nan 0.000 0.443 213 H N 0.396 119.473 119.070 0.011 0.000 2.353 213 H HA -0.077 4.460 4.556 -0.031 0.000 0.300 213 H C 1.961 177.310 175.328 0.034 0.000 1.090 213 H CA 2.035 58.118 56.048 0.058 0.000 1.327 213 H CB -0.017 29.742 29.762 -0.004 0.000 1.383 213 H HN 0.417 nan 8.280 nan 0.000 0.508 214 N N -0.339 118.376 118.700 0.025 0.000 2.244 214 N HA -0.125 4.596 4.740 -0.031 0.000 0.183 214 N C 1.741 177.164 175.510 -0.145 0.000 1.016 214 N CA 0.859 53.885 53.050 -0.040 0.000 0.866 214 N CB -0.419 38.058 38.487 -0.017 0.000 0.980 214 N HN 0.353 nan 8.380 nan 0.000 0.430 215 F N 1.188 120.930 119.950 -0.348 0.000 2.102 215 F HA -0.067 4.441 4.527 -0.031 0.000 0.298 215 F C 2.226 177.843 175.800 -0.305 0.000 1.105 215 F CA 0.628 58.179 58.000 -0.748 0.000 1.239 215 F CB -0.196 38.196 39.000 -1.013 0.000 0.991 215 F HN -0.038 nan 8.300 nan 0.000 0.474 216 L N -0.352 120.911 121.223 0.067 0.000 2.017 216 L HA -0.253 4.069 4.340 -0.031 0.000 0.208 216 L C 2.307 179.263 176.870 0.142 0.000 1.073 216 L CA 1.188 56.099 54.840 0.120 0.000 0.745 216 L CB -0.691 41.453 42.059 0.140 0.000 0.894 216 L HN 0.183 nan 8.230 nan 0.000 0.432 217 L N -1.248 120.025 121.223 0.083 0.000 2.093 217 L HA -0.177 4.144 4.340 -0.031 0.000 0.208 217 L C 2.659 179.623 176.870 0.156 0.000 1.085 217 L CA 0.968 55.864 54.840 0.093 0.000 0.755 217 L CB -0.448 41.635 42.059 0.039 0.000 0.904 217 L HN 0.196 nan 8.230 nan 0.000 0.435 218 S N -1.420 114.403 115.700 0.204 0.000 2.368 218 S HA -0.222 4.229 4.470 -0.031 0.000 0.224 218 S C 1.881 176.744 174.600 0.437 0.000 1.029 218 S CA 1.207 59.612 58.200 0.341 0.000 0.988 218 S CB -0.356 63.084 63.200 0.400 0.000 0.838 218 S HN 0.535 nan 8.310 nan 0.000 0.462 219 H N 2.003 121.312 119.070 0.397 0.000 2.319 219 H HA -0.032 4.505 4.556 -0.031 0.000 0.299 219 H C 2.066 177.503 175.328 0.181 0.000 1.092 219 H CA 1.850 58.089 56.048 0.317 0.000 1.302 219 H CB -0.546 29.376 29.762 0.267 0.000 1.373 219 H HN 0.306 nan 8.280 nan 0.000 0.497 220 A N 0.757 123.656 122.820 0.131 0.000 1.933 220 A HA -0.045 4.256 4.320 -0.031 0.000 0.218 220 A C 2.610 180.191 177.584 -0.005 0.000 1.175 220 A CA 1.675 53.727 52.037 0.026 0.000 0.628 220 A CB -1.304 17.730 19.000 0.056 0.000 0.814 220 A HN 0.656 nan 8.150 nan 0.000 0.444 221 A N -0.180 122.678 122.820 0.064 0.000 1.898 221 A HA 0.205 4.506 4.320 -0.031 0.000 0.216 221 A C 2.487 180.102 177.584 0.051 0.000 1.181 221 A CA 1.933 54.008 52.037 0.064 0.000 0.620 221 A CB -0.943 18.120 19.000 0.105 0.000 0.819 221 A HN 1.011 nan 8.150 nan 0.000 0.442 222 A N -0.619 122.246 122.820 0.076 0.000 1.930 222 A HA 0.027 4.328 4.320 -0.031 0.000 0.217 222 A C 2.202 179.805 177.584 0.032 0.000 1.175 222 A CA 1.718 53.780 52.037 0.042 0.000 0.627 222 A CB -0.820 18.207 19.000 0.045 0.000 0.815 222 A HN 0.365 nan 8.150 nan 0.000 0.443 223 V N -0.194 119.650 119.914 -0.118 0.000 2.427 223 V HA -0.206 3.896 4.120 -0.031 0.000 0.248 223 V C 3.032 179.094 176.094 -0.052 0.000 1.051 223 V CA 1.738 63.949 62.300 -0.148 0.000 1.048 223 V CB -1.113 30.537 31.823 -0.288 0.000 0.666 223 V HN 0.606 nan 8.190 nan 0.000 0.456 224 A N 0.415 123.210 122.820 -0.042 0.000 1.902 224 A HA -0.271 4.030 4.320 -0.031 0.000 0.217 224 A C 2.298 179.871 177.584 -0.019 0.000 1.181 224 A CA 2.217 54.236 52.037 -0.030 0.000 0.623 224 A CB -0.519 18.468 19.000 -0.022 0.000 0.818 224 A HN 0.461 nan 8.150 nan 0.000 0.443 225 R N -1.306 119.208 120.500 0.024 0.000 2.073 225 R HA -0.170 4.152 4.340 -0.031 0.000 0.234 225 R C 1.923 178.261 176.300 0.065 0.000 1.134 225 R CA 2.091 58.225 56.100 0.056 0.000 0.952 225 R CB -1.163 29.213 30.300 0.127 0.000 0.850 225 R HN 0.576 nan 8.270 nan 0.000 0.433 226 Y N 0.819 121.059 120.300 -0.100 0.000 2.097 226 Y HA -0.219 4.312 4.550 -0.031 0.000 0.282 226 Y C 2.083 177.843 175.900 -0.233 0.000 1.152 226 Y CA 2.283 60.170 58.100 -0.356 0.000 1.136 226 Y CB -0.143 37.827 38.460 -0.818 0.000 0.975 226 Y HN 0.040 nan 8.280 nan 0.000 0.498 227 R N -0.976 119.440 120.500 -0.140 0.000 2.092 227 R HA -0.115 4.207 4.340 -0.031 0.000 0.231 227 R C 2.267 178.440 176.300 -0.211 0.000 1.119 227 R CA 1.909 57.903 56.100 -0.177 0.000 0.970 227 R CB -0.588 29.665 30.300 -0.078 0.000 0.864 227 R HN 0.532 nan 8.270 nan 0.000 0.440 228 T N -1.758 112.690 114.554 -0.177 0.000 3.014 228 T HA 0.014 4.345 4.350 -0.031 0.000 0.263 228 T C 1.789 176.340 174.700 -0.248 0.000 1.078 228 T CA 0.741 62.736 62.100 -0.175 0.000 1.135 228 T CB 0.224 69.018 68.868 -0.124 0.000 0.895 228 T HN 0.137 nan 8.240 nan 0.000 0.480 229 K N -1.179 119.013 120.400 -0.347 0.000 2.387 229 K HA 0.240 4.541 4.320 -0.031 0.000 0.197 229 K C 1.015 177.154 176.600 -0.767 0.000 1.127 229 K CA 0.006 55.954 56.287 -0.565 0.000 0.950 229 K CB 0.484 32.562 32.500 -0.702 0.000 1.017 229 K HN 0.336 nan 8.250 nan 0.000 0.519 230 Y N 0.024 120.056 120.300 -0.448 0.000 2.535 230 Y HA 0.160 4.692 4.550 -0.030 0.000 0.264 230 Y C 2.145 177.635 175.900 -0.683 0.000 1.087 230 Y CA -0.136 57.636 58.100 -0.548 0.000 1.285 230 Y CB 0.267 38.347 38.460 -0.632 0.000 1.200 230 Y HN 0.023 nan 8.280 nan 0.000 0.514 231 Q N 1.298 120.661 119.800 -0.729 0.000 2.124 231 Q HA -0.157 4.164 4.340 -0.031 0.000 0.202 231 Q C 2.188 178.027 176.000 -0.268 0.000 0.977 231 Q CA 1.581 57.030 55.803 -0.589 0.000 0.850 231 Q CB -0.099 28.372 28.738 -0.445 0.000 0.901 231 Q HN 0.475 nan 8.270 nan 0.000 0.429 232 A N 0.797 123.482 122.820 -0.226 0.000 1.883 232 A HA -0.111 4.191 4.320 -0.031 0.000 0.217 232 A C 2.299 179.818 177.584 -0.108 0.000 1.186 232 A CA 2.199 54.150 52.037 -0.143 0.000 0.624 232 A CB -0.845 18.075 19.000 -0.134 0.000 0.822 232 A HN 0.517 nan 8.150 nan 0.000 0.444 233 A N -1.192 121.562 122.820 -0.110 0.000 1.898 233 A HA -0.083 4.218 4.320 -0.031 0.000 0.214 233 A C 2.119 179.680 177.584 -0.039 0.000 1.183 233 A CA 1.450 53.450 52.037 -0.062 0.000 0.622 233 A CB -0.381 18.592 19.000 -0.045 0.000 0.824 233 A HN 0.627 nan 8.150 nan 0.000 0.444 234 Q N -1.611 118.160 119.800 -0.048 0.000 2.250 234 Q HA 0.028 4.350 4.340 -0.031 0.000 0.200 234 Q C -0.249 175.761 176.000 0.017 0.000 0.941 234 Q CA 0.467 56.276 55.803 0.011 0.000 0.872 234 Q CB 0.168 28.948 28.738 0.069 0.000 0.965 234 Q HN 0.699 nan 8.270 nan 0.000 0.480 235 Q N -0.547 119.243 119.800 -0.016 0.000 2.468 235 Q HA -0.184 4.137 4.340 -0.031 0.000 0.289 235 Q C -0.025 175.982 176.000 0.013 0.000 1.299 235 Q CA 0.196 55.995 55.803 -0.007 0.000 0.838 235 Q CB -1.789 26.936 28.738 -0.022 0.000 1.195 235 Q HN 0.464 nan 8.270 nan 0.000 0.456 236 G N 0.034 108.902 108.800 0.113 0.000 2.828 236 G HA2 0.726 4.667 3.960 -0.031 0.000 0.244 236 G HA3 0.726 4.667 3.960 -0.031 0.000 0.244 236 G C -0.580 174.318 174.900 -0.002 0.000 1.365 236 G CA -0.645 44.467 45.100 0.020 0.000 1.041 236 G HN 0.019 nan 8.290 nan 0.000 0.560 237 K N -1.386 118.897 120.400 -0.195 0.000 2.508 237 K HA 0.610 4.911 4.320 -0.031 0.000 0.260 237 K C -1.677 174.663 176.600 -0.433 0.000 0.949 237 K CA -0.670 55.443 56.287 -0.291 0.000 0.834 237 K CB 2.994 35.372 32.500 -0.202 0.000 1.365 237 K HN 0.237 nan 8.250 nan 0.000 0.437 238 V N 1.207 120.778 119.914 -0.572 0.000 2.577 238 V HA 0.614 4.716 4.120 -0.031 0.000 0.303 238 V C 0.052 175.825 176.094 -0.535 0.000 1.042 238 V CA -0.678 61.328 62.300 -0.491 0.000 0.872 238 V CB 1.603 33.129 31.823 -0.495 0.000 0.998 238 V HN 1.006 nan 8.190 nan 0.000 0.423 239 G N 3.046 111.586 108.800 -0.432 0.000 3.209 239 G HA2 0.892 4.834 3.960 -0.031 0.000 0.236 239 G HA3 0.892 4.834 3.960 -0.031 0.000 0.236 239 G C -1.370 173.724 174.900 0.323 0.000 1.329 239 G CA -0.665 44.365 45.100 -0.117 0.000 1.015 239 G HN 0.694 nan 8.290 nan 0.000 0.571 240 I N -1.061 119.731 120.570 0.371 0.000 2.913 240 I HA 0.563 4.715 4.170 -0.031 0.000 0.302 240 I C -1.368 174.827 176.117 0.131 0.000 1.246 240 I CA -0.950 60.471 61.300 0.201 0.000 1.010 240 I CB 2.408 40.295 38.000 -0.189 0.000 1.259 240 I HN 0.280 nan 8.210 nan 0.000 0.434 241 V N 7.144 127.012 119.914 -0.077 0.000 2.384 241 V HA 0.489 4.590 4.120 -0.031 0.000 0.287 241 V C -0.367 175.579 176.094 -0.247 0.000 1.020 241 V CA -0.417 61.739 62.300 -0.239 0.000 0.850 241 V CB 1.383 32.941 31.823 -0.442 0.000 0.987 241 V HN 0.430 nan 8.190 nan 0.000 0.436 242 L N 4.987 126.103 121.223 -0.177 0.000 2.365 242 L HA 0.579 4.900 4.340 -0.031 0.000 0.273 242 L C -0.206 176.652 176.870 -0.020 0.000 1.000 242 L CA -0.834 53.903 54.840 -0.173 0.000 0.819 242 L CB 2.115 44.098 42.059 -0.127 0.000 1.284 242 L HN 0.668 nan 8.230 nan 0.000 0.418 243 D N 1.717 122.130 120.400 0.022 0.000 2.345 243 D HA 0.199 4.820 4.640 -0.031 0.000 0.247 243 D C -1.017 175.575 176.300 0.486 0.000 1.108 243 D CA -0.064 54.067 54.000 0.219 0.000 0.894 243 D CB 2.271 43.190 40.800 0.197 0.000 1.203 243 D HN 0.174 nan 8.370 nan 0.000 0.430 244 F N 2.024 122.104 119.950 0.218 0.000 2.730 244 F HA 0.294 4.802 4.527 -0.031 0.000 0.335 244 F C -1.509 174.287 175.800 -0.006 0.000 1.212 244 F CA -1.356 56.689 58.000 0.075 0.000 1.016 244 F CB 1.030 40.116 39.000 0.142 0.000 1.290 244 F HN 0.196 nan 8.300 nan 0.000 0.495 245 N N 4.571 123.192 118.700 -0.132 0.000 2.456 245 N HA 0.142 4.864 4.740 -0.031 0.000 0.296 245 N C -0.636 174.490 175.510 -0.639 0.000 1.102 245 N CA -0.346 52.539 53.050 -0.274 0.000 0.924 245 N CB 1.906 40.349 38.487 -0.074 0.000 1.186 245 N HN 0.741 nan 8.380 nan 0.000 0.492 246 W N 2.443 123.298 121.300 -0.741 0.000 2.170 246 W HA 0.192 4.833 4.660 -0.031 0.000 0.336 246 W C -1.147 174.971 176.519 -0.667 0.000 1.283 246 W CA -0.131 56.798 57.345 -0.693 0.000 1.224 246 W CB 0.456 29.634 29.460 -0.471 0.000 1.132 246 W HN 0.440 nan 8.180 nan 0.000 0.571 247 Y N 3.360 122.995 120.300 -1.108 0.000 2.350 247 Y HA 0.181 4.713 4.550 -0.031 0.000 0.338 247 Y C -0.381 174.891 175.900 -1.046 0.000 0.961 247 Y CA -0.914 56.722 58.100 -0.772 0.000 1.100 247 Y CB 1.838 40.056 38.460 -0.404 0.000 1.179 247 Y HN 0.362 nan 8.280 nan 0.000 0.454 248 E N 2.224 122.281 120.200 -0.237 0.000 2.176 248 E HA 0.715 5.046 4.350 -0.031 0.000 0.267 248 E C -0.962 175.775 176.600 0.229 0.000 0.893 248 E CA -0.740 55.734 56.400 0.122 0.000 0.761 248 E CB 1.308 31.329 29.700 0.536 0.000 1.133 248 E HN 0.713 nan 8.360 nan 0.000 0.409 249 A N 4.213 127.135 122.820 0.171 0.000 2.540 249 A HA 0.044 4.345 4.320 -0.031 0.000 0.239 249 A C 0.908 178.586 177.584 0.156 0.000 1.061 249 A CA -0.141 51.977 52.037 0.136 0.000 0.758 249 A CB 0.137 19.194 19.000 0.095 0.000 0.991 249 A HN 0.875 nan 8.150 nan 0.000 0.502 250 L N 2.798 124.070 121.223 0.082 0.000 2.131 250 L HA 0.007 4.328 4.340 -0.031 0.000 0.210 250 L C 1.220 178.049 176.870 -0.068 0.000 1.092 250 L CA 2.554 57.368 54.840 -0.043 0.000 0.759 250 L CB -0.504 41.517 42.059 -0.064 0.000 0.903 250 L HN 0.984 nan 8.230 nan 0.000 0.435 251 S N -2.864 112.828 115.700 -0.014 0.000 2.705 251 S HA 0.293 4.744 4.470 -0.031 0.000 0.280 251 S C 0.166 174.775 174.600 0.016 0.000 1.174 251 S CA -0.386 57.807 58.200 -0.013 0.000 0.823 251 S CB 0.755 63.941 63.200 -0.022 0.000 1.162 251 S HN 0.073 nan 8.310 nan 0.000 0.487 252 N N 1.315 120.023 118.700 0.014 0.000 2.370 252 N HA 0.143 4.864 4.740 -0.031 0.000 0.198 252 N C 0.419 175.942 175.510 0.023 0.000 1.156 252 N CA 0.334 53.400 53.050 0.026 0.000 0.839 252 N CB -0.205 38.296 38.487 0.024 0.000 0.989 252 N HN 0.724 nan 8.380 nan 0.000 0.468 253 S N -2.003 113.706 115.700 0.016 0.000 2.573 253 S HA 0.018 4.470 4.470 -0.031 0.000 0.277 253 S C 1.418 176.030 174.600 0.020 0.000 1.346 253 S CA -0.204 58.004 58.200 0.014 0.000 1.034 253 S CB 0.887 64.091 63.200 0.007 0.000 0.879 253 S HN 0.197 nan 8.310 nan 0.000 0.528 254 T N 1.392 115.958 114.554 0.018 0.000 2.720 254 T HA -0.176 4.156 4.350 -0.031 0.000 0.268 254 T C 1.671 176.383 174.700 0.020 0.000 1.037 254 T CA 1.872 63.985 62.100 0.021 0.000 1.144 254 T CB -0.556 68.323 68.868 0.018 0.000 0.864 254 T HN 0.897 nan 8.240 nan 0.000 0.444 255 E N 0.695 120.904 120.200 0.014 0.000 2.072 255 E HA -0.188 4.143 4.350 -0.031 0.000 0.191 255 E C 1.557 178.165 176.600 0.013 0.000 0.985 255 E CA 1.334 57.740 56.400 0.011 0.000 0.801 255 E CB -0.027 29.677 29.700 0.006 0.000 0.750 255 E HN 0.342 nan 8.360 nan 0.000 0.452 256 D N 0.303 120.712 120.400 0.015 0.000 2.123 256 D HA -0.126 4.496 4.640 -0.031 0.000 0.200 256 D C 2.080 178.397 176.300 0.029 0.000 0.976 256 D CA 0.691 54.703 54.000 0.019 0.000 0.831 256 D CB -0.203 40.607 40.800 0.017 0.000 0.974 256 D HN 0.201 nan 8.370 nan 0.000 0.469 257 Q N 0.521 120.343 119.800 0.036 0.000 2.084 257 Q HA -0.069 4.253 4.340 -0.031 0.000 0.202 257 Q C 2.197 178.220 176.000 0.038 0.000 0.978 257 Q CA 1.192 57.023 55.803 0.047 0.000 0.844 257 Q CB -0.394 28.378 28.738 0.057 0.000 0.898 257 Q HN 0.249 nan 8.270 nan 0.000 0.426 258 A N 1.072 123.910 122.820 0.030 0.000 1.933 258 A HA -0.086 4.215 4.320 -0.031 0.000 0.218 258 A C 2.345 179.936 177.584 0.012 0.000 1.175 258 A CA 1.860 53.913 52.037 0.026 0.000 0.628 258 A CB -0.629 18.384 19.000 0.023 0.000 0.814 258 A HN 0.370 nan 8.150 nan 0.000 0.444 259 A N -0.071 122.753 122.820 0.006 0.000 1.877 259 A HA 0.151 4.453 4.320 -0.031 0.000 0.216 259 A C 2.521 180.084 177.584 -0.036 0.000 1.186 259 A CA 2.135 54.166 52.037 -0.009 0.000 0.620 259 A CB -1.071 17.928 19.000 -0.002 0.000 0.822 259 A HN 1.080 nan 8.150 nan 0.000 0.443 260 A N -1.087 121.718 122.820 -0.025 0.000 1.933 260 A HA -0.201 4.101 4.320 -0.031 0.000 0.218 260 A C 2.157 179.678 177.584 -0.105 0.000 1.175 260 A CA 2.181 54.179 52.037 -0.064 0.000 0.628 260 A CB -0.472 18.504 19.000 -0.040 0.000 0.814 260 A HN 0.535 nan 8.150 nan 0.000 0.444 261 Q N -0.118 119.657 119.800 -0.041 0.000 2.123 261 Q HA -0.052 4.269 4.340 -0.031 0.000 0.199 261 Q C 2.165 178.152 176.000 -0.021 0.000 0.966 261 Q CA 1.586 57.385 55.803 -0.007 0.000 0.845 261 Q CB -0.323 28.452 28.738 0.060 0.000 0.907 261 Q HN 0.633 nan 8.270 nan 0.000 0.439 262 R N -0.483 120.002 120.500 -0.025 0.000 2.091 262 R HA -0.116 4.206 4.340 -0.031 0.000 0.238 262 R C 2.160 178.381 176.300 -0.132 0.000 1.136 262 R CA 1.273 57.371 56.100 -0.003 0.000 0.959 262 R CB -0.516 29.791 30.300 0.013 0.000 0.856 262 R HN 0.365 nan 8.270 nan 0.000 0.437 263 A N 1.228 123.878 122.820 -0.283 0.000 1.877 263 A HA -0.192 4.109 4.320 -0.031 0.000 0.216 263 A C 2.125 179.389 177.584 -0.533 0.000 1.186 263 A CA 1.316 52.963 52.037 -0.649 0.000 0.620 263 A CB -0.411 18.058 19.000 -0.885 0.000 0.822 263 A HN 0.262 nan 8.150 nan 0.000 0.443 264 R N -0.401 119.973 120.500 -0.208 0.000 2.091 264 R HA -0.133 4.189 4.340 -0.031 0.000 0.238 264 R C 1.663 177.974 176.300 0.018 0.000 1.136 264 R CA 1.508 57.615 56.100 0.011 0.000 0.959 264 R CB -0.471 29.743 30.300 -0.143 0.000 0.856 264 R HN 0.487 nan 8.270 nan 0.000 0.437 265 D N 0.034 120.426 120.400 -0.014 0.000 2.117 265 D HA -0.131 4.490 4.640 -0.031 0.000 0.197 265 D C 1.632 177.840 176.300 -0.152 0.000 0.987 265 D CA 1.203 55.193 54.000 -0.017 0.000 0.829 265 D CB -0.148 40.625 40.800 -0.044 0.000 0.961 265 D HN 0.125 nan 8.370 nan 0.000 0.460 266 F N -0.404 119.268 119.950 -0.463 0.000 2.502 266 F HA -0.027 4.482 4.527 -0.031 0.000 0.298 266 F C 2.287 177.914 175.800 -0.287 0.000 1.111 266 F CA 0.780 58.369 58.000 -0.684 0.000 1.445 266 F CB -0.007 37.952 39.000 -1.734 0.000 1.081 266 F HN 0.098 nan 8.300 nan 0.000 0.558 267 H N -1.419 117.596 119.070 -0.091 0.000 2.316 267 H HA 0.033 4.570 4.556 -0.031 0.000 0.314 267 H C 1.949 177.487 175.328 0.350 0.000 1.057 267 H CA 1.297 57.524 56.048 0.298 0.000 1.402 267 H CB 0.082 30.114 29.762 0.450 0.000 1.443 267 H HN 0.071 nan 8.280 nan 0.000 0.559 268 I N 0.132 120.915 120.570 0.356 0.000 2.927 268 I HA 0.198 4.350 4.170 -0.031 0.000 0.268 268 I C 2.318 178.526 176.117 0.151 0.000 1.153 268 I CA 1.097 62.473 61.300 0.128 0.000 1.459 268 I CB -0.281 37.383 38.000 -0.559 0.000 1.149 268 I HN 0.394 nan 8.210 nan 0.000 0.443 269 G N 0.038 108.940 108.800 0.170 0.000 2.432 269 G HA2 -0.317 3.625 3.960 -0.031 0.000 0.219 269 G HA3 -0.317 3.625 3.960 -0.031 0.000 0.219 269 G C 1.475 176.491 174.900 0.194 0.000 1.135 269 G CA 0.698 45.918 45.100 0.201 0.000 0.767 269 G HN 0.509 nan 8.290 nan 0.000 0.550 270 W N 1.039 122.303 121.300 -0.060 0.000 2.308 270 W HA -0.160 4.482 4.660 -0.030 0.000 0.301 270 W C 1.907 178.224 176.519 -0.336 0.000 1.220 270 W CA 1.280 58.506 57.345 -0.198 0.000 1.240 270 W CB -0.552 28.713 29.460 -0.326 0.000 1.142 270 W HN 0.399 nan 8.180 nan 0.000 0.521 271 Y N -1.899 118.482 120.300 0.135 0.000 2.500 271 Y HA 0.099 4.631 4.550 -0.030 0.000 0.284 271 Y C 2.498 178.314 175.900 -0.139 0.000 1.118 271 Y CA 0.709 58.763 58.100 -0.077 0.000 1.241 271 Y CB -0.919 37.424 38.460 -0.194 0.000 1.171 271 Y HN -0.270 nan 8.280 nan 0.000 0.540 272 L N -0.088 121.101 121.223 -0.057 0.000 2.109 272 L HA -0.171 4.150 4.340 -0.031 0.000 0.207 272 L C 1.692 178.368 176.870 -0.323 0.000 1.086 272 L CA 1.224 55.863 54.840 -0.335 0.000 0.760 272 L CB -0.324 41.286 42.059 -0.749 0.000 0.910 272 L HN 0.312 nan 8.230 nan 0.000 0.437 273 D N -0.007 120.322 120.400 -0.117 0.000 2.117 273 D HA -0.135 4.487 4.640 -0.031 0.000 0.197 273 D C -0.530 175.606 176.300 -0.275 0.000 0.987 273 D CA 1.367 55.306 54.000 -0.102 0.000 0.829 273 D CB -1.003 39.787 40.800 -0.016 0.000 0.961 273 D HN 0.272 nan 8.370 nan 0.000 0.460 274 P HA -0.081 nan 4.420 nan 0.000 0.215 274 P C 1.827 178.936 177.300 -0.319 0.000 1.157 274 P CA 0.791 63.666 63.100 -0.375 0.000 0.863 274 P CB -0.032 31.430 31.700 -0.396 0.000 0.787 275 L N -1.612 119.471 121.223 -0.233 0.000 2.141 275 L HA -0.115 4.206 4.340 -0.031 0.000 0.209 275 L C 2.077 178.852 176.870 -0.159 0.000 1.094 275 L CA 1.101 55.829 54.840 -0.187 0.000 0.763 275 L CB -0.507 41.449 42.059 -0.172 0.000 0.908 275 L HN -0.022 nan 8.230 nan 0.000 0.437 276 I N -0.982 119.488 120.570 -0.166 0.000 2.927 276 I HA -0.024 4.127 4.170 -0.031 0.000 0.268 276 I C 1.388 177.461 176.117 -0.073 0.000 1.153 276 I CA 0.915 62.160 61.300 -0.091 0.000 1.459 276 I CB -0.638 37.337 38.000 -0.042 0.000 1.149 276 I HN 0.281 nan 8.210 nan 0.000 0.443 277 N N 0.510 119.127 118.700 -0.139 0.000 2.197 277 N HA 0.128 4.850 4.740 -0.031 0.000 0.201 277 N C 1.332 176.729 175.510 -0.189 0.000 1.148 277 N CA 0.902 53.858 53.050 -0.157 0.000 0.883 277 N CB 1.112 39.452 38.487 -0.245 0.000 1.012 277 N HN 0.358 nan 8.380 nan 0.000 0.507 278 G N 1.462 110.109 108.800 -0.256 0.000 2.147 278 G HA2 -0.261 3.680 3.960 -0.031 0.000 0.244 278 G HA3 -0.261 3.680 3.960 -0.031 0.000 0.244 278 G C -0.299 174.499 174.900 -0.171 0.000 1.005 278 G CA 1.018 45.972 45.100 -0.243 0.000 0.713 278 G HN 0.740 nan 8.290 nan 0.000 0.515 279 H N -3.534 115.452 119.070 -0.140 0.000 3.042 279 H HA 0.672 5.209 4.556 -0.031 0.000 0.346 279 H C -0.564 174.768 175.328 0.007 0.000 1.294 279 H CA -1.684 54.341 56.048 -0.038 0.000 1.141 279 H CB 0.270 30.056 29.762 0.039 0.000 1.872 279 H HN 0.068 nan 8.280 nan 0.000 0.541 280 Y N 0.817 121.327 120.300 0.350 0.000 2.357 280 Y HA 0.257 4.788 4.550 -0.031 0.000 0.340 280 Y C -1.939 174.115 175.900 0.256 0.000 1.260 280 Y CA -1.973 56.271 58.100 0.240 0.000 1.425 280 Y CB 0.113 38.685 38.460 0.186 0.000 1.326 280 Y HN 0.565 nan 8.280 nan 0.000 0.580 281 P HA -0.058 nan 4.420 nan 0.000 0.266 281 P C 0.190 177.551 177.300 0.102 0.000 1.195 281 P CA 0.111 63.317 63.100 0.178 0.000 0.768 281 P CB 0.705 32.413 31.700 0.013 0.000 0.838 282 Q N 3.079 122.932 119.800 0.089 0.000 2.096 282 Q HA -0.185 4.136 4.340 -0.031 0.000 0.204 282 Q C 1.576 177.559 176.000 -0.028 0.000 0.982 282 Q CA 1.776 57.589 55.803 0.017 0.000 0.850 282 Q CB -1.090 27.649 28.738 0.002 0.000 0.901 282 Q HN 0.417 nan 8.270 nan 0.000 0.422 283 I N -0.512 120.031 120.570 -0.045 0.000 2.361 283 I HA -0.214 3.938 4.170 -0.031 0.000 0.251 283 I C 1.821 177.858 176.117 -0.134 0.000 1.133 283 I CA 1.377 62.649 61.300 -0.047 0.000 1.413 283 I CB -0.126 37.877 38.000 0.004 0.000 1.073 283 I HN 0.315 nan 8.210 nan 0.000 0.424 284 M N -0.900 118.491 119.600 -0.347 0.000 2.132 284 M HA -0.216 4.246 4.480 -0.031 0.000 0.263 284 M C 2.230 178.364 176.300 -0.277 0.000 1.065 284 M CA 1.604 56.586 55.300 -0.530 0.000 1.122 284 M CB -0.533 31.608 32.600 -0.765 0.000 1.365 284 M HN 0.256 nan 8.290 nan 0.000 0.411 285 Q N 0.450 120.155 119.800 -0.158 0.000 2.096 285 Q HA -0.196 4.126 4.340 -0.031 0.000 0.204 285 Q C 1.527 177.476 176.000 -0.085 0.000 0.982 285 Q CA 1.336 57.080 55.803 -0.098 0.000 0.850 285 Q CB -0.199 28.527 28.738 -0.021 0.000 0.901 285 Q HN 0.485 nan 8.270 nan 0.000 0.422 286 D N 0.231 120.596 120.400 -0.059 0.000 2.144 286 D HA -0.072 4.550 4.640 -0.031 0.000 0.200 286 D C 1.820 178.105 176.300 -0.024 0.000 0.978 286 D CA 0.968 54.948 54.000 -0.033 0.000 0.833 286 D CB 0.090 40.882 40.800 -0.014 0.000 0.961 286 D HN 0.217 nan 8.370 nan 0.000 0.470 287 L N -0.237 120.982 121.223 -0.006 0.000 2.316 287 L HA 0.038 4.360 4.340 -0.031 0.000 0.207 287 L C 2.158 179.021 176.870 -0.011 0.000 1.070 287 L CA 0.261 55.120 54.840 0.031 0.000 0.820 287 L CB 0.203 42.347 42.059 0.143 0.000 0.992 287 L HN -0.115 nan 8.230 nan 0.000 0.466 288 V N -0.953 118.911 119.914 -0.084 0.000 2.878 288 V HA -0.022 4.079 4.120 -0.031 0.000 0.250 288 V C 1.233 177.198 176.094 -0.214 0.000 1.075 288 V CA 0.500 62.674 62.300 -0.210 0.000 1.096 288 V CB -0.329 31.195 31.823 -0.497 0.000 0.724 288 V HN 0.407 nan 8.190 nan 0.000 0.467 289 K N -0.367 119.933 120.400 -0.168 0.000 1.791 289 K HA -0.325 3.977 4.320 -0.031 0.000 0.140 289 K C 0.836 177.348 176.600 -0.147 0.000 1.312 289 K CA 1.716 57.929 56.287 -0.124 0.000 0.382 289 K CB -1.415 31.035 32.500 -0.082 0.000 0.635 289 K HN 0.261 nan 8.250 nan 0.000 0.838 290 D N 0.863 121.195 120.400 -0.113 0.000 2.371 290 D HA -0.012 4.610 4.640 -0.031 0.000 0.221 290 D C 1.630 177.849 176.300 -0.135 0.000 0.986 290 D CA 0.828 54.763 54.000 -0.107 0.000 0.899 290 D CB -0.049 40.709 40.800 -0.071 0.000 0.902 290 D HN 0.228 nan 8.370 nan 0.000 0.530 291 R N -0.359 120.036 120.500 -0.174 0.000 2.276 291 R HA 0.064 4.386 4.340 -0.031 0.000 0.203 291 R C 0.302 176.405 176.300 -0.329 0.000 1.017 291 R CA -0.092 55.892 56.100 -0.193 0.000 1.010 291 R CB 0.203 30.406 30.300 -0.162 0.000 0.900 291 R HN 0.038 nan 8.270 nan 0.000 0.469 292 L N 2.238 123.216 121.223 -0.408 0.000 2.260 292 L HA 0.335 4.657 4.340 -0.031 0.000 0.289 292 L C -2.424 174.254 176.870 -0.321 0.000 1.057 292 L CA -2.415 52.140 54.840 -0.476 0.000 0.811 292 L CB 0.944 42.674 42.059 -0.548 0.000 1.184 292 L HN -0.209 nan 8.230 nan 0.000 0.429 293 P HA 0.128 nan 4.420 nan 0.000 0.268 293 P C -1.352 175.725 177.300 -0.372 0.000 1.208 293 P CA -0.116 62.686 63.100 -0.497 0.000 0.777 293 P CB 0.452 31.511 31.700 -1.068 0.000 0.875 294 K N 1.907 122.156 120.400 -0.253 0.000 2.213 294 K HA 0.409 4.710 4.320 -0.031 0.000 0.270 294 K C -0.615 175.981 176.600 -0.006 0.000 1.002 294 K CA -0.286 55.967 56.287 -0.056 0.000 0.868 294 K CB 0.163 32.665 32.500 0.004 0.000 1.093 294 K HN 0.244 nan 8.250 nan 0.000 0.454 295 F N 1.706 121.795 119.950 0.232 0.000 2.529 295 F HA 0.040 4.548 4.527 -0.031 0.000 0.365 295 F C 1.488 177.345 175.800 0.095 0.000 1.102 295 F CA -0.201 57.902 58.000 0.173 0.000 1.271 295 F CB 0.265 39.303 39.000 0.062 0.000 1.120 295 F HN 0.491 nan 8.300 nan 0.000 0.579 296 T N 1.179 115.892 114.554 0.264 0.000 2.856 296 T HA 0.133 4.465 4.350 -0.031 0.000 0.306 296 T C -1.841 172.944 174.700 0.141 0.000 1.062 296 T CA -1.436 60.759 62.100 0.159 0.000 1.083 296 T CB 0.992 69.928 68.868 0.115 0.000 0.984 296 T HN 0.310 nan 8.240 nan 0.000 0.542 297 P HA -0.095 nan 4.420 nan 0.000 0.216 297 P C 1.294 178.616 177.300 0.037 0.000 1.153 297 P CA 1.109 64.243 63.100 0.057 0.000 0.858 297 P CB 0.043 31.767 31.700 0.040 0.000 0.789 298 E N -0.572 119.654 120.200 0.042 0.000 2.072 298 E HA -0.181 4.151 4.350 -0.031 0.000 0.191 298 E C 2.170 178.783 176.600 0.022 0.000 0.985 298 E CA 1.190 57.606 56.400 0.026 0.000 0.801 298 E CB -0.834 28.884 29.700 0.030 0.000 0.750 298 E HN 0.377 nan 8.360 nan 0.000 0.452 299 Q N -0.049 119.789 119.800 0.063 0.000 2.084 299 Q HA -0.090 4.232 4.340 -0.031 0.000 0.202 299 Q C 2.220 178.176 176.000 -0.072 0.000 0.978 299 Q CA 1.421 57.266 55.803 0.071 0.000 0.844 299 Q CB -0.236 28.645 28.738 0.239 0.000 0.898 299 Q HN 0.319 nan 8.270 nan 0.000 0.426 300 A N 1.016 123.780 122.820 -0.092 0.000 1.933 300 A HA -0.212 4.089 4.320 -0.031 0.000 0.218 300 A C 2.046 179.504 177.584 -0.210 0.000 1.175 300 A CA 1.657 53.520 52.037 -0.291 0.000 0.628 300 A CB -0.375 18.546 19.000 -0.132 0.000 0.814 300 A HN 0.111 nan 8.150 nan 0.000 0.444 301 R N -0.743 119.696 120.500 -0.103 0.000 2.148 301 R HA 0.045 4.367 4.340 -0.031 0.000 0.223 301 R C 1.726 177.979 176.300 -0.079 0.000 1.088 301 R CA 1.101 57.155 56.100 -0.077 0.000 0.985 301 R CB -0.750 29.527 30.300 -0.039 0.000 0.880 301 R HN 0.433 nan 8.270 nan 0.000 0.451 302 L N -0.665 120.511 121.223 -0.079 0.000 2.109 302 L HA -0.001 4.321 4.340 -0.031 0.000 0.207 302 L C 1.798 178.619 176.870 -0.082 0.000 1.086 302 L CA 1.240 56.043 54.840 -0.062 0.000 0.760 302 L CB -0.128 41.911 42.059 -0.033 0.000 0.910 302 L HN 0.008 nan 8.230 nan 0.000 0.437 303 V N -0.760 119.058 119.914 -0.159 0.000 2.407 303 V HA -0.153 3.949 4.120 -0.031 0.000 0.245 303 V C 1.383 177.378 176.094 -0.165 0.000 1.041 303 V CA 0.790 62.978 62.300 -0.187 0.000 1.040 303 V CB -0.602 30.960 31.823 -0.435 0.000 0.671 303 V HN 0.314 nan 8.190 nan 0.000 0.455 304 K N 0.553 120.837 120.400 -0.193 0.000 2.451 304 K HA 0.250 4.552 4.320 -0.031 0.000 0.280 304 K C 1.091 177.640 176.600 -0.086 0.000 1.020 304 K CA 0.852 57.051 56.287 -0.145 0.000 1.008 304 K CB 0.252 32.673 32.500 -0.131 0.000 0.917 304 K HN 0.463 nan 8.250 nan 0.000 0.478 305 G N 2.383 111.142 108.800 -0.068 0.000 2.162 305 G HA2 -0.322 3.620 3.960 -0.031 0.000 0.260 305 G HA3 -0.322 3.620 3.960 -0.031 0.000 0.260 305 G C 0.531 175.414 174.900 -0.029 0.000 0.976 305 G CA 0.745 45.819 45.100 -0.044 0.000 0.655 305 G HN 0.775 nan 8.290 nan 0.000 0.533 306 S N -1.031 114.666 115.700 -0.005 0.000 2.603 306 S HA 0.651 5.103 4.470 -0.031 0.000 0.220 306 S C 0.985 175.678 174.600 0.154 0.000 0.967 306 S CA 1.075 59.304 58.200 0.049 0.000 0.920 306 S CB 0.533 63.787 63.200 0.090 0.000 0.773 306 S HN 1.868 nan 8.310 nan 0.000 0.529 307 A N 1.058 123.921 122.820 0.070 0.000 2.287 307 A HA 0.575 4.876 4.320 -0.031 0.000 0.317 307 A C 0.300 177.817 177.584 -0.111 0.000 1.220 307 A CA -0.699 51.346 52.037 0.012 0.000 0.835 307 A CB 0.797 19.779 19.000 -0.031 0.000 1.180 307 A HN 0.153 nan 8.150 nan 0.000 0.500 308 D N 0.601 120.829 120.400 -0.287 0.000 2.269 308 D HA 0.055 4.677 4.640 -0.031 0.000 0.208 308 D C -0.210 175.945 176.300 -0.241 0.000 0.963 308 D CA 2.002 55.807 54.000 -0.325 0.000 0.864 308 D CB -0.027 40.492 40.800 -0.468 0.000 0.936 308 D HN 0.674 nan 8.370 nan 0.000 0.505 309 Y N -1.718 118.603 120.300 0.035 0.000 2.609 309 Y HA 0.485 5.016 4.550 -0.031 0.000 0.336 309 Y C -1.030 174.933 175.900 0.105 0.000 1.129 309 Y CA -1.646 56.499 58.100 0.075 0.000 1.040 309 Y CB 0.807 39.327 38.460 0.100 0.000 1.310 309 Y HN -0.370 nan 8.280 nan 0.000 0.460 310 I N 2.419 123.190 120.570 0.336 0.000 2.330 310 I HA 0.457 4.609 4.170 -0.031 0.000 0.289 310 I C 0.595 176.871 176.117 0.265 0.000 1.001 310 I CA -0.666 60.773 61.300 0.232 0.000 1.193 310 I CB 0.959 39.023 38.000 0.107 0.000 1.345 310 I HN 0.935 nan 8.210 nan 0.000 0.461 311 G N 7.426 116.386 108.800 0.267 0.000 2.355 311 G HA2 0.497 4.438 3.960 -0.031 0.000 0.276 311 G HA3 0.497 4.438 3.960 -0.031 0.000 0.276 311 G C -0.269 174.634 174.900 0.006 0.000 1.198 311 G CA -0.276 44.868 45.100 0.072 0.000 0.876 311 G HN 0.398 nan 8.290 nan 0.000 0.478 312 I N 2.540 123.130 120.570 0.034 0.000 2.389 312 I HA 0.217 4.368 4.170 -0.031 0.000 0.288 312 I C -0.742 175.392 176.117 0.028 0.000 0.999 312 I CA -1.273 60.076 61.300 0.083 0.000 1.129 312 I CB 1.601 39.715 38.000 0.190 0.000 1.288 312 I HN 0.302 nan 8.210 nan 0.000 0.444 313 N N 5.909 124.622 118.700 0.022 0.000 2.420 313 N HA 0.205 4.927 4.740 -0.031 0.000 0.249 313 N C -0.254 175.295 175.510 0.065 0.000 1.033 313 N CA -0.206 52.838 53.050 -0.010 0.000 0.944 313 N CB 1.235 39.736 38.487 0.022 0.000 1.113 313 N HN 0.409 nan 8.380 nan 0.000 0.502 314 Q N 2.473 122.236 119.800 -0.062 0.000 2.325 314 Q HA 0.281 4.603 4.340 -0.031 0.000 0.270 314 Q C -0.793 175.179 176.000 -0.046 0.000 1.020 314 Q CA -0.340 55.489 55.803 0.044 0.000 0.785 314 Q CB 1.047 29.841 28.738 0.094 0.000 1.259 314 Q HN 0.632 nan 8.270 nan 0.000 0.452 315 Y N 0.823 121.293 120.300 0.285 0.000 2.723 315 Y HA 0.233 4.764 4.550 -0.031 0.000 0.272 315 Y C 0.993 177.148 175.900 0.425 0.000 1.142 315 Y CA 0.194 58.531 58.100 0.395 0.000 1.217 315 Y CB 1.472 40.246 38.460 0.524 0.000 1.391 315 Y HN 0.527 nan 8.280 nan 0.000 0.479 316 T N -0.727 114.103 114.554 0.461 0.000 2.645 316 T HA 0.825 5.157 4.350 -0.031 0.000 0.300 316 T C -1.928 172.809 174.700 0.061 0.000 1.210 316 T CA -0.084 62.204 62.100 0.314 0.000 1.034 316 T CB 1.296 70.431 68.868 0.444 0.000 1.537 316 T HN 0.139 nan 8.240 nan 0.000 0.492 317 A N 0.732 123.523 122.820 -0.049 0.000 2.572 317 A HA 0.820 5.122 4.320 -0.031 0.000 0.295 317 A C -1.147 176.297 177.584 -0.232 0.000 1.072 317 A CA -0.548 51.355 52.037 -0.223 0.000 0.691 317 A CB 1.780 20.535 19.000 -0.409 0.000 1.291 317 A HN 0.773 nan 8.150 nan 0.000 0.404 318 S N -0.291 115.259 115.700 -0.251 0.000 2.549 318 S HA 0.664 5.116 4.470 -0.031 0.000 0.280 318 S C -1.512 173.015 174.600 -0.122 0.000 1.109 318 S CA -0.363 57.763 58.200 -0.124 0.000 0.905 318 S CB 0.867 64.190 63.200 0.205 0.000 1.081 318 S HN 0.477 nan 8.310 nan 0.000 0.477 319 Y N 1.782 122.076 120.300 -0.011 0.000 2.309 319 Y HA 0.490 5.022 4.550 -0.031 0.000 0.327 319 Y C 0.526 176.409 175.900 -0.028 0.000 1.172 319 Y CA -0.448 57.650 58.100 -0.003 0.000 1.280 319 Y CB 0.555 38.988 38.460 -0.045 0.000 1.234 319 Y HN 0.317 nan 8.280 nan 0.000 0.512 320 M N 3.282 122.996 119.600 0.190 0.000 2.321 320 M HA 0.327 4.788 4.480 -0.031 0.000 0.315 320 M C -0.708 175.622 176.300 0.051 0.000 1.052 320 M CA -0.896 54.463 55.300 0.098 0.000 0.936 320 M CB 2.073 34.722 32.600 0.081 0.000 1.639 320 M HN 0.603 nan 8.290 nan 0.000 0.433 321 K N 0.811 121.220 120.400 0.015 0.000 2.207 321 K HA 0.755 5.056 4.320 -0.031 0.000 0.255 321 K C 0.052 176.652 176.600 -0.000 0.000 0.941 321 K CA -0.421 55.866 56.287 -0.000 0.000 0.825 321 K CB 1.913 34.402 32.500 -0.018 0.000 1.119 321 K HN 0.856 nan 8.250 nan 0.000 0.430 322 G N 1.412 110.212 108.800 -0.000 0.000 2.568 322 G HA2 0.456 4.397 3.960 -0.031 0.000 0.293 322 G HA3 0.456 4.397 3.960 -0.031 0.000 0.293 322 G C -1.205 173.692 174.900 -0.006 0.000 1.347 322 G CA -0.361 44.737 45.100 -0.002 0.000 1.039 322 G HN 0.694 nan 8.290 nan 0.000 0.523 323 Q N -1.557 118.239 119.800 -0.006 0.000 2.776 323 Q HA 0.239 4.560 4.340 -0.031 0.000 0.289 323 Q C -1.575 174.421 176.000 -0.007 0.000 0.912 323 Q CA -0.973 54.825 55.803 -0.008 0.000 0.789 323 Q CB 0.982 29.711 28.738 -0.014 0.000 1.498 323 Q HN 0.404 nan 8.270 nan 0.000 0.408 324 Q N 1.614 121.411 119.800 -0.006 0.000 2.297 324 Q HA 0.259 4.580 4.340 -0.031 0.000 0.267 324 Q C -0.637 175.359 176.000 -0.007 0.000 1.006 324 Q CA 0.102 55.902 55.803 -0.005 0.000 0.896 324 Q CB 0.571 29.307 28.738 -0.004 0.000 1.186 324 Q HN 0.629 nan 8.270 nan 0.000 0.392 325 L N 4.741 125.961 121.223 -0.005 0.000 2.513 325 L HA 0.043 4.364 4.340 -0.031 0.000 0.272 325 L C 0.309 177.174 176.870 -0.007 0.000 1.187 325 L CA 0.414 55.250 54.840 -0.006 0.000 0.895 325 L CB 0.202 42.261 42.059 0.001 0.000 1.147 325 L HN 0.447 nan 8.230 nan 0.000 0.483 326 M N 2.692 122.285 119.600 -0.012 0.000 2.602 326 M HA 0.290 4.751 4.480 -0.031 0.000 0.312 326 M C -0.429 175.864 176.300 -0.012 0.000 1.181 326 M CA -1.016 54.277 55.300 -0.012 0.000 0.910 326 M CB 1.658 34.250 32.600 -0.014 0.000 1.723 326 M HN 0.376 nan 8.290 nan 0.000 0.459 327 Q N 3.066 122.860 119.800 -0.010 0.000 2.286 327 Q HA 0.249 4.571 4.340 -0.031 0.000 0.267 327 Q C -1.154 174.839 176.000 -0.013 0.000 1.028 327 Q CA 0.444 56.241 55.803 -0.011 0.000 0.901 327 Q CB 0.553 29.285 28.738 -0.010 0.000 1.183 327 Q HN 0.594 nan 8.270 nan 0.000 0.392 328 Q N 1.522 121.314 119.800 -0.014 0.000 2.379 328 Q HA 0.525 4.847 4.340 -0.031 0.000 0.278 328 Q C -1.017 174.976 176.000 -0.013 0.000 1.068 328 Q CA -1.009 54.785 55.803 -0.015 0.000 0.816 328 Q CB 1.103 29.829 28.738 -0.021 0.000 1.387 328 Q HN 0.443 nan 8.270 nan 0.000 0.413 329 T N 3.751 118.298 114.554 -0.011 0.000 2.853 329 T HA 0.200 4.531 4.350 -0.031 0.000 0.298 329 T C -2.217 172.479 174.700 -0.006 0.000 0.978 329 T CA -0.461 61.634 62.100 -0.008 0.000 1.152 329 T CB 0.009 68.873 68.868 -0.007 0.000 0.914 329 T HN 0.409 nan 8.240 nan 0.000 0.539 330 P HA 0.146 nan 4.420 nan 0.000 0.268 330 P C 0.815 178.124 177.300 0.015 0.000 1.204 330 P CA -0.151 62.956 63.100 0.013 0.000 0.768 330 P CB 0.617 32.330 31.700 0.022 0.000 0.842 331 T N -1.774 112.789 114.554 0.014 0.000 3.075 331 T HA 0.268 4.599 4.350 -0.031 0.000 0.251 331 T C 0.437 175.152 174.700 0.025 0.000 0.979 331 T CA 0.366 62.472 62.100 0.010 0.000 1.033 331 T CB -0.040 68.820 68.868 -0.013 0.000 1.104 331 T HN 0.523 nan 8.240 nan 0.000 0.473 332 S N -0.509 115.209 115.700 0.030 0.000 2.578 332 S HA 0.423 4.875 4.470 -0.031 0.000 0.272 332 S C 0.166 174.818 174.600 0.087 0.000 1.145 332 S CA -0.487 57.744 58.200 0.051 0.000 0.835 332 S CB 0.844 64.039 63.200 -0.008 0.000 1.104 332 S HN 0.195 nan 8.310 nan 0.000 0.458 333 Y N 2.504 122.794 120.300 -0.017 0.000 2.151 333 Y HA -0.136 4.396 4.550 -0.031 0.000 0.284 333 Y C 2.240 178.108 175.900 -0.054 0.000 1.166 333 Y CA 2.641 60.722 58.100 -0.032 0.000 1.163 333 Y CB -0.845 37.446 38.460 -0.282 0.000 0.974 333 Y HN 0.696 nan 8.280 nan 0.000 0.511 334 S N 0.483 115.933 115.700 -0.416 0.000 2.356 334 S HA -0.186 4.265 4.470 -0.031 0.000 0.223 334 S C 2.246 176.402 174.600 -0.739 0.000 1.032 334 S CA 1.243 58.943 58.200 -0.834 0.000 1.005 334 S CB -0.869 62.019 63.200 -0.519 0.000 0.867 334 S HN 0.673 nan 8.310 nan 0.000 0.449 335 A N 1.561 124.156 122.820 -0.375 0.000 2.066 335 A HA -0.085 4.217 4.320 -0.031 0.000 0.218 335 A C 1.632 179.079 177.584 -0.228 0.000 1.157 335 A CA 1.197 53.074 52.037 -0.266 0.000 0.670 335 A CB -0.453 18.457 19.000 -0.149 0.000 0.804 335 A HN 0.304 nan 8.150 nan 0.000 0.453 336 D N -0.786 119.497 120.400 -0.195 0.000 2.221 336 D HA -0.166 4.455 4.640 -0.031 0.000 0.204 336 D C 1.323 177.372 176.300 -0.419 0.000 0.982 336 D CA 0.883 54.787 54.000 -0.160 0.000 0.857 336 D CB -0.275 40.559 40.800 0.056 0.000 0.934 336 D HN 0.710 nan 8.370 nan 0.000 0.475 337 W N 0.978 121.684 121.300 -0.990 0.000 2.425 337 W HA 0.014 4.655 4.660 -0.031 0.000 0.277 337 W C 0.828 177.018 176.519 -0.548 0.000 1.231 337 W CA 0.123 56.781 57.345 -1.144 0.000 1.248 337 W CB -0.868 28.062 29.460 -0.885 0.000 1.117 337 W HN 0.095 nan 8.180 nan 0.000 0.568 338 Q N -0.521 119.186 119.800 -0.156 0.000 2.452 338 Q HA -0.155 4.167 4.340 -0.031 0.000 0.318 338 Q C -0.308 175.655 176.000 -0.061 0.000 1.386 338 Q CA 0.735 56.480 55.803 -0.098 0.000 0.872 338 Q CB -2.204 26.491 28.738 -0.072 0.000 1.151 338 Q HN 0.231 nan 8.270 nan 0.000 0.417 339 V N -4.004 115.875 119.914 -0.057 0.000 3.074 339 V HA 0.845 4.946 4.120 -0.031 0.000 0.314 339 V C 0.034 176.105 176.094 -0.038 0.000 1.117 339 V CA -0.712 61.573 62.300 -0.026 0.000 1.014 339 V CB 2.622 34.458 31.823 0.022 0.000 1.057 339 V HN 0.089 nan 8.190 nan 0.000 0.438 340 T N 2.636 117.184 114.554 -0.010 0.000 2.833 340 T HA 0.415 4.747 4.350 -0.031 0.000 0.297 340 T C -0.896 173.820 174.700 0.027 0.000 1.015 340 T CA -0.032 62.068 62.100 0.001 0.000 0.963 340 T CB 0.523 69.386 68.868 -0.007 0.000 0.955 340 T HN 0.828 nan 8.240 nan 0.000 0.449 341 Y N 5.274 125.526 120.300 -0.080 0.000 2.511 341 Y HA 0.441 4.973 4.550 -0.031 0.000 0.332 341 Y C -0.089 175.742 175.900 -0.114 0.000 1.177 341 Y CA -0.372 57.672 58.100 -0.093 0.000 1.422 341 Y CB 0.424 38.790 38.460 -0.156 0.000 1.271 341 Y HN 0.465 nan 8.280 nan 0.000 0.550 342 V N 3.651 123.010 119.914 -0.925 0.000 2.876 342 V HA 0.371 4.473 4.120 -0.031 0.000 0.312 342 V C -0.189 175.353 176.094 -0.919 0.000 1.085 342 V CA -1.008 60.866 62.300 -0.709 0.000 0.945 342 V CB 1.427 33.116 31.823 -0.223 0.000 1.017 342 V HN 0.865 nan 8.190 nan 0.000 0.428 343 F N 2.216 121.918 119.950 -0.413 0.000 2.206 343 F HA 0.542 5.051 4.527 -0.031 0.000 0.298 343 F C 1.452 177.260 175.800 0.013 0.000 1.090 343 F CA 1.701 59.599 58.000 -0.170 0.000 1.323 343 F CB 0.060 39.083 39.000 0.038 0.000 1.028 343 F HN 0.904 nan 8.300 nan 0.000 0.492 344 A N -0.569 122.373 122.820 0.205 0.000 2.569 344 A HA 0.658 4.960 4.320 -0.031 0.000 0.290 344 A C -1.055 176.479 177.584 -0.084 0.000 1.136 344 A CA -0.731 51.414 52.037 0.181 0.000 0.710 344 A CB 1.632 20.723 19.000 0.150 0.000 1.303 344 A HN -0.007 nan 8.150 nan 0.000 0.413 345 K N 0.816 121.108 120.400 -0.181 0.000 2.482 345 K HA 0.401 4.703 4.320 -0.031 0.000 0.251 345 K C -0.731 175.791 176.600 -0.130 0.000 0.936 345 K CA -0.526 55.547 56.287 -0.356 0.000 0.791 345 K CB 0.782 32.783 32.500 -0.832 0.000 1.213 345 K HN 0.695 nan 8.250 nan 0.000 0.428 346 N N 2.423 121.062 118.700 -0.102 0.000 2.721 346 N HA -0.220 4.501 4.740 -0.031 0.000 0.249 346 N C 0.481 175.985 175.510 -0.009 0.000 1.072 346 N CA 1.622 54.645 53.050 -0.045 0.000 0.710 346 N CB -1.245 37.219 38.487 -0.039 0.000 0.993 346 N HN 1.101 nan 8.380 nan 0.000 0.547 347 G N -1.819 106.980 108.800 -0.001 0.000 2.179 347 G HA2 -0.336 3.606 3.960 -0.031 0.000 0.260 347 G HA3 -0.336 3.606 3.960 -0.031 0.000 0.260 347 G C -0.128 174.804 174.900 0.052 0.000 0.977 347 G CA 0.804 45.918 45.100 0.024 0.000 0.641 347 G HN 0.378 nan 8.290 nan 0.000 0.533 348 K N 0.803 121.246 120.400 0.072 0.000 2.292 348 K HA 0.521 4.823 4.320 -0.031 0.000 0.257 348 K C -2.661 174.052 176.600 0.189 0.000 0.940 348 K CA -2.100 54.259 56.287 0.120 0.000 0.811 348 K CB 2.288 34.862 32.500 0.123 0.000 1.120 348 K HN 0.003 nan 8.250 nan 0.000 0.428 349 P HA 0.141 nan 4.420 nan 0.000 0.269 349 P C 1.022 178.511 177.300 0.315 0.000 1.215 349 P CA -0.223 63.040 63.100 0.271 0.000 0.780 349 P CB 0.667 32.526 31.700 0.264 0.000 0.898 350 I N 0.028 120.782 120.570 0.306 0.000 2.361 350 I HA -0.059 4.093 4.170 -0.031 0.000 0.251 350 I C 0.832 177.073 176.117 0.207 0.000 1.133 350 I CA 1.628 63.058 61.300 0.217 0.000 1.413 350 I CB -0.271 37.609 38.000 -0.200 0.000 1.073 350 I HN 0.549 nan 8.210 nan 0.000 0.424 351 G N -0.266 108.689 108.800 0.259 0.000 2.356 351 G HA2 0.308 4.250 3.960 -0.031 0.000 0.294 351 G HA3 0.308 4.250 3.960 -0.031 0.000 0.294 351 G C -3.074 172.003 174.900 0.295 0.000 1.423 351 G CA -0.738 44.507 45.100 0.243 0.000 0.806 351 G HN -0.130 nan 8.290 nan 0.000 0.527 352 P HA 0.305 nan 4.420 nan 0.000 0.276 352 P C -0.741 176.586 177.300 0.045 0.000 1.244 352 P CA -0.117 63.061 63.100 0.130 0.000 0.801 352 P CB 1.181 32.939 31.700 0.097 0.000 1.006 353 Q N 0.258 120.004 119.800 -0.091 0.000 2.235 353 Q HA 0.545 4.866 4.340 -0.031 0.000 0.250 353 Q C 0.418 176.299 176.000 -0.199 0.000 0.909 353 Q CA -0.710 54.922 55.803 -0.283 0.000 0.910 353 Q CB 1.450 29.936 28.738 -0.420 0.000 1.223 353 Q HN 0.543 nan 8.270 nan 0.000 0.432 354 A N 1.578 124.245 122.820 -0.255 0.000 2.372 354 A HA 0.017 4.318 4.320 -0.031 0.000 0.271 354 A C 0.904 178.310 177.584 -0.296 0.000 1.470 354 A CA 0.373 52.249 52.037 -0.267 0.000 0.827 354 A CB -0.149 18.642 19.000 -0.349 0.000 1.405 354 A HN 0.954 nan 8.150 nan 0.000 0.536 355 N N -0.611 117.900 118.700 -0.314 0.000 2.120 355 N HA -0.080 4.641 4.740 -0.031 0.000 0.188 355 N C 0.441 175.777 175.510 -0.290 0.000 1.024 355 N CA 1.519 54.416 53.050 -0.257 0.000 0.852 355 N CB -0.197 38.155 38.487 -0.226 0.000 1.003 355 N HN 0.410 nan 8.380 nan 0.000 0.424 356 S N 0.677 116.113 115.700 -0.440 0.000 2.531 356 S HA 0.094 4.546 4.470 -0.031 0.000 0.279 356 S C 0.731 174.980 174.600 -0.584 0.000 1.305 356 S CA -0.656 57.227 58.200 -0.528 0.000 1.058 356 S CB 0.850 63.516 63.200 -0.890 0.000 0.899 356 S HN 0.350 nan 8.310 nan 0.000 0.493 357 N N 2.724 121.243 118.700 -0.303 0.000 2.289 357 N HA -0.091 4.630 4.740 -0.031 0.000 0.184 357 N C 1.543 176.966 175.510 -0.145 0.000 1.016 357 N CA 0.918 53.863 53.050 -0.176 0.000 0.872 357 N CB -0.080 38.418 38.487 0.018 0.000 0.973 357 N HN 0.878 nan 8.380 nan 0.000 0.433 358 W N -0.078 121.226 121.300 0.007 0.000 2.905 358 W HA 0.258 4.899 4.660 -0.032 0.000 0.251 358 W C 0.055 176.660 176.519 0.144 0.000 1.305 358 W CA -0.390 57.019 57.345 0.107 0.000 1.465 358 W CB -0.570 28.936 29.460 0.077 0.000 1.122 358 W HN -0.097 nan 8.180 nan 0.000 0.659 359 L N 2.579 123.477 121.223 -0.542 0.000 2.315 359 L HA 0.305 4.626 4.340 -0.031 0.000 0.278 359 L C -1.056 175.683 176.870 -0.218 0.000 1.088 359 L CA -0.835 53.757 54.840 -0.414 0.000 0.899 359 L CB -0.067 41.428 42.059 -0.941 0.000 1.277 359 L HN -0.241 nan 8.230 nan 0.000 0.431 360 Y N 3.982 124.328 120.300 0.076 0.000 2.316 360 Y HA 0.273 4.805 4.550 -0.031 0.000 0.331 360 Y C 0.549 176.529 175.900 0.133 0.000 1.083 360 Y CA -0.439 57.715 58.100 0.090 0.000 1.206 360 Y CB 0.924 39.441 38.460 0.095 0.000 1.195 360 Y HN 0.348 nan 8.280 nan 0.000 0.497 361 I N 4.740 125.457 120.570 0.245 0.000 2.329 361 I HA 0.139 4.291 4.170 -0.031 0.000 0.295 361 I C -0.694 175.492 176.117 0.115 0.000 1.109 361 I CA -0.075 61.393 61.300 0.280 0.000 1.297 361 I CB -0.117 38.033 38.000 0.250 0.000 1.433 361 I HN 0.280 nan 8.210 nan 0.000 0.509 362 V N 8.444 128.352 119.914 -0.011 0.000 2.465 362 V HA 0.176 4.277 4.120 -0.031 0.000 0.263 362 V C -1.815 173.764 176.094 -0.860 0.000 0.981 362 V CA -0.910 61.117 62.300 -0.456 0.000 0.838 362 V CB 1.154 32.595 31.823 -0.636 0.000 1.068 362 V HN 0.510 nan 8.190 nan 0.000 0.458 363 P HA -0.127 nan 4.420 nan 0.000 0.218 363 P C 1.648 178.507 177.300 -0.735 0.000 1.148 363 P CA 1.404 63.717 63.100 -1.312 0.000 0.822 363 P CB 0.078 31.367 31.700 -0.685 0.000 0.784 364 W N -0.858 120.212 121.300 -0.382 0.000 2.611 364 W HA 0.129 4.771 4.660 -0.030 0.000 0.251 364 W C 1.434 177.794 176.519 -0.266 0.000 1.265 364 W CA 0.614 57.811 57.345 -0.246 0.000 1.295 364 W CB -2.094 27.270 29.460 -0.160 0.000 1.129 364 W HN -0.096 nan 8.180 nan 0.000 0.630 365 G N 1.895 110.333 108.800 -0.603 0.000 2.443 365 G HA2 -0.293 3.649 3.960 -0.031 0.000 0.219 365 G HA3 -0.293 3.649 3.960 -0.031 0.000 0.219 365 G C 1.411 176.092 174.900 -0.366 0.000 1.131 365 G CA 1.328 46.134 45.100 -0.490 0.000 0.775 365 G HN 0.227 nan 8.290 nan 0.000 0.547 366 M N -0.319 119.104 119.600 -0.294 0.000 2.086 366 M HA 0.008 4.470 4.480 -0.031 0.000 0.261 366 M C 2.241 178.474 176.300 -0.112 0.000 1.067 366 M CA 1.362 56.590 55.300 -0.121 0.000 1.116 366 M CB -0.671 31.916 32.600 -0.022 0.000 1.348 366 M HN 0.292 nan 8.290 nan 0.000 0.407 367 Y N 0.284 120.467 120.300 -0.195 0.000 2.145 367 Y HA -0.027 4.504 4.550 -0.031 0.000 0.286 367 Y C 2.061 177.777 175.900 -0.305 0.000 1.145 367 Y CA 2.082 60.085 58.100 -0.162 0.000 1.148 367 Y CB -0.988 37.408 38.460 -0.107 0.000 0.981 367 Y HN 0.293 nan 8.280 nan 0.000 0.507 368 G N -0.449 108.038 108.800 -0.521 0.000 2.491 368 G HA2 -0.335 3.607 3.960 -0.031 0.000 0.218 368 G HA3 -0.335 3.607 3.960 -0.031 0.000 0.218 368 G C 1.725 175.884 174.900 -1.235 0.000 1.180 368 G CA 1.357 45.655 45.100 -1.336 0.000 0.774 368 G HN 0.550 nan 8.290 nan 0.000 0.562 369 C N -0.378 118.466 119.300 -0.760 0.000 2.429 369 C HA 0.036 4.477 4.460 -0.031 0.000 0.277 369 C C 3.121 178.165 174.990 0.090 0.000 1.262 369 C CA 0.741 59.591 59.018 -0.279 0.000 1.733 369 C CB -0.880 26.588 27.740 -0.453 0.000 2.010 369 C HN 0.285 nan 8.230 nan 0.000 0.483 370 V N 1.509 121.382 119.914 -0.069 0.000 2.323 370 V HA -0.179 3.923 4.120 -0.031 0.000 0.244 370 V C 2.277 178.343 176.094 -0.048 0.000 1.041 370 V CA 2.384 64.693 62.300 0.015 0.000 1.025 370 V CB -0.903 30.922 31.823 0.003 0.000 0.656 370 V HN 0.584 nan 8.190 nan 0.000 0.451 371 N N -0.309 118.208 118.700 -0.306 0.000 2.149 371 N HA -0.260 4.462 4.740 -0.031 0.000 0.188 371 N C 1.824 177.326 175.510 -0.014 0.000 1.019 371 N CA 1.867 54.742 53.050 -0.293 0.000 0.857 371 N CB -0.389 37.685 38.487 -0.689 0.000 0.997 371 N HN 0.584 nan 8.380 nan 0.000 0.426 372 Y N 0.648 120.935 120.300 -0.022 0.000 2.145 372 Y HA -0.041 4.490 4.550 -0.031 0.000 0.286 372 Y C 1.946 178.001 175.900 0.259 0.000 1.145 372 Y CA 1.604 59.836 58.100 0.220 0.000 1.148 372 Y CB -0.312 38.474 38.460 0.543 0.000 0.981 372 Y HN 0.121 nan 8.280 nan 0.000 0.507 373 I N 0.495 121.267 120.570 0.337 0.000 2.226 373 I HA -0.312 3.840 4.170 -0.031 0.000 0.245 373 I C 2.599 178.806 176.117 0.150 0.000 1.100 373 I CA 1.734 63.209 61.300 0.292 0.000 1.374 373 I CB -0.487 37.730 38.000 0.361 0.000 1.057 373 I HN 0.198 nan 8.210 nan 0.000 0.413 374 K N 0.850 121.311 120.400 0.101 0.000 2.009 374 K HA -0.250 4.051 4.320 -0.031 0.000 0.210 374 K C 2.117 178.724 176.600 0.013 0.000 1.049 374 K CA 1.675 57.998 56.287 0.060 0.000 0.929 374 K CB -0.061 32.461 32.500 0.037 0.000 0.714 374 K HN 0.354 nan 8.250 nan 0.000 0.440 375 Q N -0.155 119.627 119.800 -0.031 0.000 2.245 375 Q HA -0.110 4.211 4.340 -0.031 0.000 0.201 375 Q C 1.940 177.848 176.000 -0.153 0.000 0.955 375 Q CA 1.033 56.800 55.803 -0.061 0.000 0.870 375 Q CB 0.171 28.893 28.738 -0.027 0.000 0.945 375 Q HN 0.321 nan 8.270 nan 0.000 0.461 376 K N -0.355 119.857 120.400 -0.314 0.000 2.202 376 K HA -0.040 4.262 4.320 -0.031 0.000 0.201 376 K C 0.418 176.676 176.600 -0.570 0.000 1.051 376 K CA 0.582 56.530 56.287 -0.565 0.000 0.977 376 K CB 0.400 32.264 32.500 -1.059 0.000 0.792 376 K HN 0.043 nan 8.250 nan 0.000 0.469 377 Y N -0.075 120.160 120.300 -0.108 0.000 2.681 377 Y HA 0.308 4.839 4.550 -0.031 0.000 0.267 377 Y C 0.616 176.500 175.900 -0.026 0.000 1.166 377 Y CA -0.161 57.903 58.100 -0.060 0.000 1.209 377 Y CB 1.175 39.605 38.460 -0.051 0.000 1.161 377 Y HN 0.260 nan 8.280 nan 0.000 0.534 378 G N 1.296 110.133 108.800 0.062 0.000 2.176 378 G HA2 -0.382 3.559 3.960 -0.031 0.000 0.252 378 G HA3 -0.382 3.559 3.960 -0.031 0.000 0.252 378 G C 0.283 175.226 174.900 0.071 0.000 1.024 378 G CA 0.286 45.419 45.100 0.056 0.000 0.755 378 G HN 0.508 nan 8.290 nan 0.000 0.507 379 N N -1.192 117.557 118.700 0.082 0.000 2.696 379 N HA -0.122 4.600 4.740 -0.031 0.000 0.256 379 N C -1.212 174.357 175.510 0.098 0.000 1.031 379 N CA 1.218 54.321 53.050 0.088 0.000 0.730 379 N CB -0.353 38.175 38.487 0.069 0.000 0.894 379 N HN 0.634 nan 8.380 nan 0.000 0.544 380 P HA 0.091 nan 4.420 nan 0.000 0.272 380 P C -0.307 177.068 177.300 0.124 0.000 1.240 380 P CA -0.014 63.148 63.100 0.104 0.000 0.791 380 P CB 0.417 32.171 31.700 0.090 0.000 0.978 381 T N 0.955 115.591 114.554 0.136 0.000 2.817 381 T HA 0.221 4.552 4.350 -0.031 0.000 0.295 381 T C 0.270 175.089 174.700 0.199 0.000 0.958 381 T CA 0.042 62.245 62.100 0.170 0.000 1.157 381 T CB -0.140 68.847 68.868 0.198 0.000 0.898 381 T HN 0.102 nan 8.240 nan 0.000 0.536 382 V N 4.580 124.604 119.914 0.183 0.000 2.628 382 V HA 0.522 4.624 4.120 -0.031 0.000 0.306 382 V C -0.154 176.034 176.094 0.157 0.000 1.045 382 V CA -0.735 61.676 62.300 0.184 0.000 0.905 382 V CB 2.200 34.133 31.823 0.182 0.000 0.997 382 V HN 0.647 nan 8.190 nan 0.000 0.436 383 V N 5.114 125.112 119.914 0.140 0.000 2.487 383 V HA 0.439 4.540 4.120 -0.031 0.000 0.298 383 V C -0.210 175.938 176.094 0.091 0.000 1.028 383 V CA -0.659 61.690 62.300 0.082 0.000 0.860 383 V CB 1.922 33.765 31.823 0.033 0.000 0.991 383 V HN 0.596 nan 8.190 nan 0.000 0.427 384 I N 5.089 125.736 120.570 0.128 0.000 2.406 384 I HA 0.097 4.248 4.170 -0.031 0.000 0.293 384 I C 1.590 177.701 176.117 -0.010 0.000 1.101 384 I CA 0.493 61.852 61.300 0.098 0.000 1.334 384 I CB 0.626 38.762 38.000 0.227 0.000 1.421 384 I HN 0.832 nan 8.210 nan 0.000 0.513 385 T N 2.287 116.772 114.554 -0.115 0.000 3.065 385 T HA 0.249 4.580 4.350 -0.031 0.000 0.252 385 T C 0.540 175.128 174.700 -0.186 0.000 1.099 385 T CA 0.065 61.995 62.100 -0.283 0.000 1.063 385 T CB 0.371 68.932 68.868 -0.512 0.000 0.948 385 T HN 0.576 nan 8.240 nan 0.000 0.506 386 E N 0.664 120.778 120.200 -0.143 0.000 2.363 386 E HA 0.461 4.793 4.350 -0.031 0.000 0.281 386 E C -1.488 174.952 176.600 -0.267 0.000 0.953 386 E CA -0.775 55.568 56.400 -0.095 0.000 0.778 386 E CB 1.974 31.649 29.700 -0.042 0.000 1.220 386 E HN 0.237 nan 8.360 nan 0.000 0.431 387 N N 1.492 120.093 118.700 -0.165 0.000 2.521 387 N HA 0.539 5.260 4.740 -0.031 0.000 0.269 387 N C -1.323 174.336 175.510 0.247 0.000 1.079 387 N CA -0.226 52.742 53.050 -0.138 0.000 0.980 387 N CB 2.001 40.588 38.487 0.167 0.000 1.667 387 N HN 0.650 nan 8.380 nan 0.000 0.498 388 G N 1.259 110.164 108.800 0.175 0.000 2.320 388 G HA2 0.496 4.438 3.960 -0.031 0.000 0.296 388 G HA3 0.496 4.438 3.960 -0.031 0.000 0.296 388 G C -1.671 173.079 174.900 -0.250 0.000 1.306 388 G CA -0.602 44.523 45.100 0.043 0.000 0.836 388 G HN 0.701 nan 8.290 nan 0.000 0.517 389 M N -0.728 118.626 119.600 -0.409 0.000 2.622 389 M HA 0.758 5.220 4.480 -0.031 0.000 0.276 389 M C -2.051 173.842 176.300 -0.677 0.000 1.265 389 M CA -0.997 53.961 55.300 -0.569 0.000 0.850 389 M CB 2.636 34.596 32.600 -1.066 0.000 1.720 389 M HN 0.563 nan 8.290 nan 0.000 0.465 390 D N 0.466 120.292 120.400 -0.957 0.000 2.342 390 D HA 0.465 5.086 4.640 -0.031 0.000 0.243 390 D C -1.277 174.763 176.300 -0.434 0.000 1.019 390 D CA -0.404 53.034 54.000 -0.936 0.000 0.864 390 D CB 1.561 41.479 40.800 -1.470 0.000 1.315 390 D HN 0.828 nan 8.370 nan 0.000 0.468 391 Q N 0.368 120.036 119.800 -0.219 0.000 2.205 391 Q HA 0.449 4.770 4.340 -0.031 0.000 0.249 391 Q C -2.092 173.915 176.000 0.011 0.000 0.948 391 Q CA -1.713 54.065 55.803 -0.042 0.000 0.895 391 Q CB 1.794 30.627 28.738 0.157 0.000 1.249 391 Q HN 0.379 nan 8.270 nan 0.000 0.458 392 P HA 0.131 nan 4.420 nan 0.000 0.277 392 P C -1.175 176.233 177.300 0.180 0.000 1.271 392 P CA -0.263 62.865 63.100 0.047 0.000 0.795 392 P CB 0.532 32.228 31.700 -0.007 0.000 1.101 393 A N 0.648 123.556 122.820 0.147 0.000 2.327 393 A HA 0.244 4.545 4.320 -0.031 0.000 0.255 393 A C 0.730 178.427 177.584 0.188 0.000 1.099 393 A CA 0.063 52.225 52.037 0.209 0.000 0.801 393 A CB -1.029 18.050 19.000 0.131 0.000 1.062 393 A HN 0.720 nan 8.150 nan 0.000 0.496 394 N N -2.259 116.579 118.700 0.230 0.000 2.878 394 N HA -0.134 4.587 4.740 -0.031 0.000 0.247 394 N C -0.335 175.203 175.510 0.048 0.000 1.021 394 N CA 1.288 54.419 53.050 0.134 0.000 0.873 394 N CB -1.879 36.651 38.487 0.072 0.000 1.128 394 N HN 0.592 nan 8.380 nan 0.000 0.571 395 L N 0.769 121.962 121.223 -0.050 0.000 2.456 395 L HA 0.343 4.665 4.340 -0.031 0.000 0.257 395 L C 1.463 178.211 176.870 -0.203 0.000 1.162 395 L CA -0.486 54.133 54.840 -0.368 0.000 0.808 395 L CB 0.643 42.077 42.059 -1.042 0.000 1.136 395 L HN 0.225 nan 8.230 nan 0.000 0.466 396 S N 0.380 115.948 115.700 -0.219 0.000 2.614 396 S HA 0.163 4.614 4.470 -0.031 0.000 0.265 396 S C 1.015 175.525 174.600 -0.149 0.000 1.303 396 S CA -0.522 57.613 58.200 -0.108 0.000 1.000 396 S CB 1.255 64.394 63.200 -0.102 0.000 0.935 396 S HN 0.711 nan 8.310 nan 0.000 0.551 397 R N 0.570 120.999 120.500 -0.119 0.000 2.112 397 R HA -0.187 4.135 4.340 -0.031 0.000 0.242 397 R C 1.104 177.217 176.300 -0.312 0.000 1.137 397 R CA 2.376 58.276 56.100 -0.333 0.000 0.944 397 R CB -0.767 29.384 30.300 -0.248 0.000 0.857 397 R HN 0.782 nan 8.270 nan 0.000 0.435 398 D N 0.176 120.463 120.400 -0.188 0.000 2.144 398 D HA -0.155 4.467 4.640 -0.031 0.000 0.199 398 D C 2.047 178.265 176.300 -0.137 0.000 0.984 398 D CA 1.143 55.064 54.000 -0.132 0.000 0.834 398 D CB -0.203 40.545 40.800 -0.086 0.000 0.955 398 D HN 0.432 nan 8.370 nan 0.000 0.465 399 Q N -0.695 118.986 119.800 -0.197 0.000 2.084 399 Q HA -0.158 4.164 4.340 -0.031 0.000 0.202 399 Q C 2.064 177.906 176.000 -0.263 0.000 0.978 399 Q CA 1.016 56.676 55.803 -0.239 0.000 0.844 399 Q CB -0.175 28.370 28.738 -0.321 0.000 0.898 399 Q HN 0.485 nan 8.270 nan 0.000 0.426 400 Y N 0.477 120.655 120.300 -0.203 0.000 2.181 400 Y HA -0.212 4.321 4.550 -0.030 0.000 0.288 400 Y C 2.094 177.926 175.900 -0.114 0.000 1.146 400 Y CA 0.771 58.754 58.100 -0.195 0.000 1.164 400 Y CB -0.013 38.197 38.460 -0.417 0.000 0.982 400 Y HN 0.082 nan 8.280 nan 0.000 0.515 401 L N -0.396 120.828 121.223 0.001 0.000 2.156 401 L HA -0.121 4.201 4.340 -0.031 0.000 0.208 401 L C 0.918 177.854 176.870 0.109 0.000 1.095 401 L CA 0.961 55.846 54.840 0.074 0.000 0.770 401 L CB -0.383 41.708 42.059 0.053 0.000 0.914 401 L HN 0.050 nan 8.230 nan 0.000 0.439 402 R N 1.984 122.518 120.500 0.056 0.000 4.496 402 R HA 0.012 4.334 4.340 -0.031 0.000 0.211 402 R C -0.260 176.086 176.300 0.078 0.000 1.738 402 R CA -0.188 55.955 56.100 0.071 0.000 1.528 402 R CB -0.500 29.816 30.300 0.026 0.000 1.414 402 R HN 0.240 nan 8.270 nan 0.000 0.812 403 D N 0.059 120.532 120.400 0.122 0.000 2.994 403 D HA -0.048 4.573 4.640 -0.031 0.000 0.240 403 D C 0.877 177.247 176.300 0.116 0.000 1.195 403 D CA -0.157 53.909 54.000 0.109 0.000 0.957 403 D CB 0.861 41.741 40.800 0.133 0.000 1.105 403 D HN -0.018 nan 8.370 nan 0.000 0.477 404 T N -0.232 114.386 114.554 0.107 0.000 2.833 404 T HA -0.182 4.150 4.350 -0.031 0.000 0.269 404 T C 1.550 176.315 174.700 0.109 0.000 1.054 404 T CA 1.942 64.114 62.100 0.119 0.000 1.135 404 T CB -0.130 68.798 68.868 0.101 0.000 0.869 404 T HN 0.324 nan 8.240 nan 0.000 0.466 405 T N 1.019 115.626 114.554 0.088 0.000 2.821 405 T HA -0.009 4.322 4.350 -0.031 0.000 0.267 405 T C 2.008 176.761 174.700 0.087 0.000 1.046 405 T CA 1.126 63.288 62.100 0.105 0.000 1.139 405 T CB -0.184 68.719 68.868 0.058 0.000 0.871 405 T HN 0.381 nan 8.240 nan 0.000 0.454 406 R N 0.666 121.189 120.500 0.038 0.000 2.090 406 R HA -0.029 4.292 4.340 -0.031 0.000 0.228 406 R C 2.300 178.619 176.300 0.031 0.000 1.110 406 R CA 0.840 56.937 56.100 -0.005 0.000 0.973 406 R CB -0.426 29.895 30.300 0.034 0.000 0.869 406 R HN 0.207 nan 8.270 nan 0.000 0.440 407 V N 0.672 120.588 119.914 0.003 0.000 2.282 407 V HA -0.328 3.774 4.120 -0.031 0.000 0.249 407 V C 2.360 178.273 176.094 -0.301 0.000 1.057 407 V CA 2.355 64.498 62.300 -0.262 0.000 1.032 407 V CB -0.872 30.860 31.823 -0.152 0.000 0.645 407 V HN 0.539 nan 8.190 nan 0.000 0.447 408 H N -1.332 117.648 119.070 -0.150 0.000 2.353 408 H HA -0.236 4.301 4.556 -0.031 0.000 0.300 408 H C 2.287 177.587 175.328 -0.046 0.000 1.090 408 H CA 2.003 57.999 56.048 -0.086 0.000 1.327 408 H CB -0.066 29.700 29.762 0.006 0.000 1.383 408 H HN 0.439 nan 8.280 nan 0.000 0.508 409 F N 0.730 120.542 119.950 -0.230 0.000 2.069 409 F HA -0.327 4.181 4.527 -0.030 0.000 0.298 409 F C 1.896 177.542 175.800 -0.257 0.000 1.113 409 F CA 1.698 59.525 58.000 -0.288 0.000 1.214 409 F CB -0.535 38.217 39.000 -0.413 0.000 0.978 409 F HN 0.133 nan 8.300 nan 0.000 0.474 410 Y N 0.301 120.621 120.300 0.033 0.000 2.200 410 Y HA -0.155 4.376 4.550 -0.031 0.000 0.290 410 Y C 2.720 178.423 175.900 -0.329 0.000 1.137 410 Y CA 1.778 59.798 58.100 -0.135 0.000 1.163 410 Y CB -0.985 37.249 38.460 -0.376 0.000 0.988 410 Y HN 0.028 nan 8.280 nan 0.000 0.518 411 R N -0.232 120.010 120.500 -0.430 0.000 2.083 411 R HA -0.165 4.157 4.340 -0.031 0.000 0.237 411 R C 2.232 178.549 176.300 0.029 0.000 1.137 411 R CA 1.915 57.934 56.100 -0.135 0.000 0.951 411 R CB -0.284 29.965 30.300 -0.085 0.000 0.851 411 R HN 0.220 nan 8.270 nan 0.000 0.434 412 S N -0.441 115.238 115.700 -0.036 0.000 2.357 412 S HA -0.104 4.348 4.470 -0.031 0.000 0.221 412 S C 1.637 176.205 174.600 -0.053 0.000 1.031 412 S CA 1.044 59.208 58.200 -0.060 0.000 0.982 412 S CB -0.359 62.718 63.200 -0.205 0.000 0.853 412 S HN 0.362 nan 8.310 nan 0.000 0.458 413 Y N 1.643 121.797 120.300 -0.242 0.000 2.242 413 Y HA 0.064 4.596 4.550 -0.030 0.000 0.291 413 Y C 2.054 177.961 175.900 0.012 0.000 1.137 413 Y CA 0.596 58.593 58.100 -0.172 0.000 1.181 413 Y CB -0.450 37.834 38.460 -0.293 0.000 0.989 413 Y HN 0.150 nan 8.280 nan 0.000 0.527 414 L N -1.245 120.107 121.223 0.216 0.000 2.141 414 L HA -0.195 4.126 4.340 -0.031 0.000 0.209 414 L C 2.207 179.214 176.870 0.228 0.000 1.094 414 L CA 1.421 56.395 54.840 0.223 0.000 0.763 414 L CB -0.644 41.567 42.059 0.254 0.000 0.908 414 L HN 0.168 nan 8.230 nan 0.000 0.437 415 T N -1.248 113.389 114.554 0.138 0.000 2.821 415 T HA -0.170 4.161 4.350 -0.031 0.000 0.267 415 T C 1.907 176.626 174.700 0.033 0.000 1.046 415 T CA 0.969 63.105 62.100 0.061 0.000 1.139 415 T CB -0.052 68.841 68.868 0.040 0.000 0.871 415 T HN 0.278 nan 8.240 nan 0.000 0.454 416 Q N 0.395 120.215 119.800 0.033 0.000 2.123 416 Q HA 0.054 4.376 4.340 -0.031 0.000 0.199 416 Q C 2.400 178.480 176.000 0.134 0.000 0.966 416 Q CA 0.767 56.598 55.803 0.047 0.000 0.845 416 Q CB -0.628 28.095 28.738 -0.025 0.000 0.907 416 Q HN 0.385 nan 8.270 nan 0.000 0.439 417 L N 1.598 122.913 121.223 0.154 0.000 2.017 417 L HA -0.167 4.154 4.340 -0.031 0.000 0.208 417 L C 2.368 179.333 176.870 0.159 0.000 1.073 417 L CA 1.955 56.917 54.840 0.203 0.000 0.745 417 L CB -0.550 41.680 42.059 0.285 0.000 0.894 417 L HN 0.076 nan 8.230 nan 0.000 0.432 418 K N -0.253 120.197 120.400 0.083 0.000 2.063 418 K HA -0.290 4.012 4.320 -0.031 0.000 0.208 418 K C 2.328 178.886 176.600 -0.070 0.000 1.048 418 K CA 1.986 58.177 56.287 -0.160 0.000 0.928 418 K CB -0.243 32.018 32.500 -0.399 0.000 0.713 418 K HN 0.368 nan 8.250 nan 0.000 0.442 419 K N 0.072 120.478 120.400 0.011 0.000 2.032 419 K HA -0.175 4.126 4.320 -0.031 0.000 0.209 419 K C 1.968 178.675 176.600 0.179 0.000 1.048 419 K CA 1.487 57.808 56.287 0.056 0.000 0.927 419 K CB -0.255 32.257 32.500 0.020 0.000 0.712 419 K HN 0.259 nan 8.250 nan 0.000 0.441 420 A N 1.162 124.139 122.820 0.262 0.000 1.930 420 A HA -0.090 4.212 4.320 -0.031 0.000 0.217 420 A C 2.084 179.724 177.584 0.093 0.000 1.175 420 A CA 1.346 53.485 52.037 0.170 0.000 0.627 420 A CB -0.482 18.524 19.000 0.009 0.000 0.815 420 A HN 0.364 nan 8.150 nan 0.000 0.443 421 I N -0.104 120.513 120.570 0.079 0.000 2.252 421 I HA -0.210 3.941 4.170 -0.031 0.000 0.245 421 I C 1.543 177.677 176.117 0.028 0.000 1.102 421 I CA 1.345 62.681 61.300 0.060 0.000 1.385 421 I CB -0.425 37.598 38.000 0.037 0.000 1.064 421 I HN 0.210 nan 8.210 nan 0.000 0.414 422 D N 0.805 121.204 120.400 -0.001 0.000 2.264 422 D HA -0.145 4.476 4.640 -0.031 0.000 0.208 422 D C 1.727 178.041 176.300 0.025 0.000 0.966 422 D CA 1.015 55.008 54.000 -0.011 0.000 0.864 422 D CB -0.134 40.639 40.800 -0.045 0.000 0.933 422 D HN 0.438 nan 8.370 nan 0.000 0.499 423 E N -0.731 119.504 120.200 0.058 0.000 2.489 423 E HA 0.228 4.560 4.350 -0.031 0.000 0.193 423 E C 1.027 177.662 176.600 0.059 0.000 1.057 423 E CA 0.247 56.690 56.400 0.071 0.000 0.866 423 E CB 0.523 30.298 29.700 0.124 0.000 0.916 423 E HN 0.270 nan 8.360 nan 0.000 0.500 424 G N 0.879 109.712 108.800 0.055 0.000 2.192 424 G HA2 -0.212 3.729 3.960 -0.031 0.000 0.193 424 G HA3 -0.212 3.729 3.960 -0.031 0.000 0.193 424 G C 0.329 175.269 174.900 0.066 0.000 0.999 424 G CA -0.235 44.899 45.100 0.056 0.000 0.659 424 G HN 0.387 nan 8.290 nan 0.000 0.503 425 A N 0.230 123.092 122.820 0.070 0.000 2.488 425 A HA 0.539 4.841 4.320 -0.031 0.000 0.249 425 A C 0.705 178.360 177.584 0.119 0.000 1.083 425 A CA 0.527 52.615 52.037 0.084 0.000 0.768 425 A CB 0.239 19.284 19.000 0.074 0.000 1.017 425 A HN 0.598 nan 8.150 nan 0.000 0.496 426 N N 2.594 121.368 118.700 0.124 0.000 3.254 426 N HA 0.209 4.930 4.740 -0.031 0.000 0.308 426 N C -0.858 174.757 175.510 0.176 0.000 1.281 426 N CA 0.040 53.175 53.050 0.142 0.000 1.212 426 N CB -0.351 38.209 38.487 0.123 0.000 1.478 426 N HN 0.277 nan 8.380 nan 0.000 0.548 427 V N 1.464 121.513 119.914 0.225 0.000 2.407 427 V HA 0.458 4.559 4.120 -0.031 0.000 0.278 427 V C 1.114 177.405 176.094 0.328 0.000 1.037 427 V CA -0.427 62.042 62.300 0.283 0.000 0.900 427 V CB 1.032 33.074 31.823 0.365 0.000 0.983 427 V HN 0.489 nan 8.190 nan 0.000 0.459 428 A N 3.608 126.498 122.820 0.117 0.000 2.197 428 A HA 0.724 5.026 4.320 -0.031 0.000 0.210 428 A C 0.953 178.162 177.584 -0.626 0.000 1.180 428 A CA 0.721 52.720 52.037 -0.063 0.000 0.846 428 A CB 0.224 19.223 19.000 -0.002 0.000 0.884 428 A HN 1.140 nan 8.150 nan 0.000 0.487 429 G N -2.252 106.080 108.800 -0.781 0.000 2.506 429 G HA2 0.455 4.396 3.960 -0.031 0.000 0.292 429 G HA3 0.455 4.396 3.960 -0.031 0.000 0.292 429 G C -1.983 172.605 174.900 -0.521 0.000 1.425 429 G CA -0.399 43.983 45.100 -1.198 0.000 0.788 429 G HN 0.506 nan 8.290 nan 0.000 0.490 430 Y N -0.224 119.679 120.300 -0.661 0.000 2.441 430 Y HA 0.735 5.267 4.550 -0.031 0.000 0.334 430 Y C -2.027 173.736 175.900 -0.228 0.000 1.061 430 Y CA -1.409 56.593 58.100 -0.164 0.000 1.032 430 Y CB 1.740 40.201 38.460 0.001 0.000 1.266 430 Y HN 0.462 nan 8.280 nan 0.000 0.441 431 F N 4.598 124.193 119.950 -0.591 0.000 2.518 431 F HA 0.747 5.255 4.527 -0.032 0.000 0.323 431 F C 0.024 175.525 175.800 -0.498 0.000 1.129 431 F CA -0.872 56.872 58.000 -0.426 0.000 0.920 431 F CB 1.976 40.782 39.000 -0.323 0.000 1.160 431 F HN 0.675 nan 8.300 nan 0.000 0.440 432 A N 4.089 126.796 122.820 -0.189 0.000 2.362 432 A HA 0.236 4.537 4.320 -0.031 0.000 0.276 432 A C -0.935 176.694 177.584 0.074 0.000 1.153 432 A CA -0.447 51.576 52.037 -0.023 0.000 0.813 432 A CB 0.262 19.130 19.000 -0.221 0.000 1.081 432 A HN 0.857 nan 8.150 nan 0.000 0.507 433 W N 4.012 125.365 121.300 0.087 0.000 2.332 433 W HA 0.505 5.148 4.660 -0.030 0.000 0.306 433 W C -0.461 176.197 176.519 0.231 0.000 1.149 433 W CA -0.041 57.363 57.345 0.098 0.000 1.271 433 W CB 1.352 30.863 29.460 0.085 0.000 1.243 433 W HN 0.676 nan 8.180 nan 0.000 0.459 434 S N 4.439 119.949 115.700 -0.317 0.000 2.632 434 S HA 0.282 4.734 4.470 -0.031 0.000 0.289 434 S C 0.434 174.814 174.600 -0.367 0.000 1.115 434 S CA -0.729 57.006 58.200 -0.776 0.000 0.889 434 S CB 1.550 63.874 63.200 -1.459 0.000 1.116 434 S HN 0.542 nan 8.310 nan 0.000 0.486 435 L N 2.805 123.815 121.223 -0.354 0.000 2.043 435 L HA 0.264 4.586 4.340 -0.031 0.000 0.212 435 L C -0.192 176.570 176.870 -0.180 0.000 1.075 435 L CA 2.004 56.693 54.840 -0.253 0.000 0.752 435 L CB -0.392 41.550 42.059 -0.195 0.000 0.891 435 L HN 0.639 nan 8.230 nan 0.000 0.432 436 L N -0.464 120.640 121.223 -0.198 0.000 2.401 436 L HA 0.373 4.695 4.340 -0.031 0.000 0.266 436 L C -0.691 176.134 176.870 -0.076 0.000 0.991 436 L CA -1.235 53.530 54.840 -0.124 0.000 0.818 436 L CB 1.473 43.464 42.059 -0.113 0.000 1.321 436 L HN -0.184 nan 8.230 nan 0.000 0.413 437 D N 2.210 122.610 120.400 -0.000 0.000 2.506 437 D HA 0.162 4.783 4.640 -0.031 0.000 0.234 437 D C -0.403 176.070 176.300 0.288 0.000 1.143 437 D CA 0.743 54.826 54.000 0.138 0.000 0.871 437 D CB 0.588 41.477 40.800 0.147 0.000 1.190 437 D HN 0.687 nan 8.370 nan 0.000 0.459 438 N N -0.582 118.307 118.700 0.315 0.000 3.364 438 N HA 0.252 4.974 4.740 -0.031 0.000 0.294 438 N C -1.486 174.051 175.510 0.045 0.000 1.562 438 N CA -0.911 52.314 53.050 0.292 0.000 0.862 438 N CB 0.222 38.763 38.487 0.091 0.000 1.691 438 N HN 0.216 nan 8.380 nan 0.000 0.572 439 F N 0.814 120.584 119.950 -0.299 0.000 2.462 439 F HA 0.338 4.847 4.527 -0.030 0.000 0.360 439 F C 0.478 175.889 175.800 -0.649 0.000 1.134 439 F CA -0.349 57.194 58.000 -0.762 0.000 1.148 439 F CB 0.531 39.095 39.000 -0.726 0.000 1.147 439 F HN 0.618 nan 8.300 nan 0.000 0.550 440 E N 7.385 127.053 120.200 -0.888 0.000 2.232 440 E HA 0.194 4.525 4.350 -0.031 0.000 0.296 440 E C -0.265 175.965 176.600 -0.616 0.000 1.372 440 E CA -0.168 55.873 56.400 -0.599 0.000 1.527 440 E CB -0.456 29.203 29.700 -0.068 0.000 1.424 440 E HN 0.744 nan 8.360 nan 0.000 0.485 441 W N 0.439 121.278 121.300 -0.768 0.000 2.259 441 W HA -0.506 4.137 4.660 -0.029 0.000 0.293 441 W C 1.395 177.802 176.519 -0.187 0.000 1.351 441 W CA 0.747 57.794 57.345 -0.497 0.000 1.295 441 W CB -1.352 27.970 29.460 -0.231 0.000 0.892 441 W HN 0.251 nan 8.180 nan 0.000 0.520 442 L N -0.047 121.437 121.223 0.436 0.000 2.191 442 L HA -0.167 4.154 4.340 -0.031 0.000 0.212 442 L C 2.081 179.031 176.870 0.134 0.000 1.103 442 L CA 1.743 56.801 54.840 0.363 0.000 0.769 442 L CB -0.891 41.368 42.059 0.334 0.000 0.908 442 L HN 0.257 nan 8.230 nan 0.000 0.438 443 S N -0.610 115.106 115.700 0.027 0.000 2.562 443 S HA 0.148 4.599 4.470 -0.031 0.000 0.221 443 S C 1.448 175.929 174.600 -0.198 0.000 0.975 443 S CA 0.452 58.632 58.200 -0.034 0.000 0.918 443 S CB 0.009 63.220 63.200 0.019 0.000 0.772 443 S HN 0.668 nan 8.310 nan 0.000 0.531 444 G N 1.602 110.106 108.800 -0.493 0.000 2.634 444 G HA2 -0.348 3.594 3.960 -0.031 0.000 0.309 444 G HA3 -0.348 3.594 3.960 -0.031 0.000 0.309 444 G C 0.206 174.636 174.900 -0.782 0.000 1.265 444 G CA 0.819 45.450 45.100 -0.781 0.000 0.998 444 G HN 0.530 nan 8.290 nan 0.000 0.551 445 Y N 1.807 121.980 120.300 -0.211 0.000 2.495 445 Y HA 0.328 4.861 4.550 -0.029 0.000 0.293 445 Y C 2.724 178.546 175.900 -0.129 0.000 1.186 445 Y CA 1.071 58.996 58.100 -0.291 0.000 1.266 445 Y CB 0.154 38.300 38.460 -0.524 0.000 1.101 445 Y HN 0.630 nan 8.280 nan 0.000 0.517 446 T N -4.065 110.484 114.554 -0.009 0.000 3.107 446 T HA 0.083 4.415 4.350 -0.031 0.000 0.249 446 T C 0.611 175.333 174.700 0.036 0.000 1.096 446 T CA 0.101 62.227 62.100 0.044 0.000 1.012 446 T CB 0.062 68.952 68.868 0.037 0.000 0.977 446 T HN 0.099 nan 8.240 nan 0.000 0.527 447 S N 0.595 116.302 115.700 0.012 0.000 2.552 447 S HA 0.643 5.094 4.470 -0.031 0.000 0.314 447 S C -1.388 173.242 174.600 0.050 0.000 1.099 447 S CA -0.797 57.406 58.200 0.006 0.000 1.070 447 S CB 0.856 64.091 63.200 0.058 0.000 0.998 447 S HN 0.192 nan 8.310 nan 0.000 0.474 448 K N 4.069 124.468 120.400 -0.002 0.000 2.404 448 K HA 0.451 4.752 4.320 -0.031 0.000 0.257 448 K C -0.654 175.939 176.600 -0.011 0.000 1.026 448 K CA -0.189 56.132 56.287 0.057 0.000 0.951 448 K CB 0.430 32.960 32.500 0.050 0.000 1.203 448 K HN 0.623 nan 8.250 nan 0.000 0.446 449 F N 0.234 120.243 119.950 0.099 0.000 2.727 449 F HA 0.235 4.743 4.527 -0.032 0.000 0.302 449 F C 1.405 177.231 175.800 0.042 0.000 1.097 449 F CA -0.359 57.711 58.000 0.116 0.000 1.330 449 F CB 0.533 39.714 39.000 0.302 0.000 1.084 449 F HN 0.570 nan 8.300 nan 0.000 0.578 450 G N 0.859 109.756 108.800 0.161 0.000 2.483 450 G HA2 0.282 4.224 3.960 -0.031 0.000 0.248 450 G HA3 0.282 4.224 3.960 -0.031 0.000 0.248 450 G C 1.132 176.109 174.900 0.128 0.000 1.248 450 G CA -0.384 44.758 45.100 0.070 0.000 0.838 450 G HN 0.427 nan 8.290 nan 0.000 0.566 451 I N -0.802 119.831 120.570 0.105 0.000 3.251 451 I HA 0.203 4.355 4.170 -0.031 0.000 0.277 451 I C -0.147 176.031 176.117 0.103 0.000 1.268 451 I CA 0.107 61.501 61.300 0.157 0.000 1.449 451 I CB -0.020 38.089 38.000 0.183 0.000 1.083 451 I HN 0.013 nan 8.210 nan 0.000 0.464 452 V N 1.636 121.579 119.914 0.049 0.000 2.448 452 V HA 0.249 4.351 4.120 -0.031 0.000 0.295 452 V C -0.642 175.497 176.094 0.075 0.000 1.025 452 V CA -0.742 61.584 62.300 0.044 0.000 0.859 452 V CB 1.221 33.024 31.823 -0.033 0.000 0.988 452 V HN 0.217 nan 8.190 nan 0.000 0.431 453 Y N 5.479 125.784 120.300 0.009 0.000 2.425 453 Y HA 0.457 4.990 4.550 -0.029 0.000 0.331 453 Y C -0.193 175.655 175.900 -0.087 0.000 1.157 453 Y CA -0.104 57.975 58.100 -0.034 0.000 1.372 453 Y CB 1.064 39.544 38.460 0.033 0.000 1.253 453 Y HN 0.380 nan 8.280 nan 0.000 0.536 454 V N 7.023 126.420 119.914 -0.863 0.000 2.409 454 V HA 0.143 4.244 4.120 -0.031 0.000 0.291 454 V C -0.476 174.687 176.094 -1.553 0.000 1.020 454 V CA -1.127 60.532 62.300 -1.069 0.000 0.848 454 V CB 1.461 32.658 31.823 -1.042 0.000 0.990 454 V HN 0.751 nan 8.190 nan 0.000 0.430 455 D N 3.685 123.410 120.400 -1.126 0.000 2.338 455 D HA 0.146 4.767 4.640 -0.031 0.000 0.255 455 D C 0.425 176.400 176.300 -0.542 0.000 1.237 455 D CA -0.045 53.567 54.000 -0.648 0.000 0.883 455 D CB 0.892 41.586 40.800 -0.176 0.000 1.087 455 D HN 0.401 nan 8.370 nan 0.000 0.485 456 F N 2.697 122.514 119.950 -0.222 0.000 2.802 456 F HA 0.045 4.554 4.527 -0.031 0.000 0.300 456 F C 1.973 177.674 175.800 -0.164 0.000 1.168 456 F CA -0.073 57.789 58.000 -0.229 0.000 1.433 456 F CB 0.001 38.811 39.000 -0.317 0.000 1.115 456 F HN 0.346 nan 8.300 nan 0.000 0.582 457 N N -0.573 118.133 118.700 0.010 0.000 2.278 457 N HA -0.073 4.648 4.740 -0.031 0.000 0.181 457 N C 2.098 177.595 175.510 -0.022 0.000 1.023 457 N CA 1.998 55.052 53.050 0.007 0.000 0.862 457 N CB -0.536 37.969 38.487 0.030 0.000 1.003 457 N HN 0.273 nan 8.380 nan 0.000 0.431 458 T N -1.666 112.861 114.554 -0.046 0.000 3.022 458 T HA 0.282 4.613 4.350 -0.031 0.000 0.250 458 T C 1.116 175.762 174.700 -0.090 0.000 1.060 458 T CA -0.028 62.045 62.100 -0.046 0.000 1.013 458 T CB 0.251 69.110 68.868 -0.015 0.000 0.982 458 T HN 0.168 nan 8.240 nan 0.000 0.508 459 L N -0.259 120.864 121.223 -0.166 0.000 4.884 459 L HA -0.183 4.139 4.340 -0.031 0.000 0.430 459 L C 0.020 176.746 176.870 -0.240 0.000 1.087 459 L CA 0.487 55.185 54.840 -0.236 0.000 1.033 459 L CB -2.015 39.957 42.059 -0.145 0.000 2.030 459 L HN 0.458 nan 8.230 nan 0.000 0.762 460 E N 0.521 120.607 120.200 -0.191 0.000 2.413 460 E HA 0.228 4.559 4.350 -0.031 0.000 0.263 460 E C 0.385 176.819 176.600 -0.276 0.000 1.015 460 E CA -0.130 56.150 56.400 -0.200 0.000 0.916 460 E CB 0.486 30.125 29.700 -0.102 0.000 0.947 460 E HN 0.073 nan 8.360 nan 0.000 0.440 461 R N 1.563 121.875 120.500 -0.314 0.000 2.428 461 R HA 0.390 4.712 4.340 -0.031 0.000 0.294 461 R C -1.075 175.018 176.300 -0.345 0.000 1.000 461 R CA -0.370 55.575 56.100 -0.258 0.000 0.960 461 R CB 0.849 31.032 30.300 -0.194 0.000 1.076 461 R HN 0.478 nan 8.270 nan 0.000 0.475 462 H N 1.989 121.080 119.070 0.036 0.000 3.108 462 H HA 0.296 4.834 4.556 -0.030 0.000 0.329 462 H C -2.395 173.000 175.328 0.112 0.000 0.978 462 H CA -2.004 54.119 56.048 0.124 0.000 1.413 462 H CB 1.577 31.486 29.762 0.245 0.000 1.670 462 H HN 0.398 nan 8.280 nan 0.000 0.512 463 P HA 0.009 nan 4.420 nan 0.000 0.265 463 P C -0.262 177.088 177.300 0.082 0.000 1.193 463 P CA -0.002 63.083 63.100 -0.024 0.000 0.765 463 P CB 0.929 32.413 31.700 -0.360 0.000 0.823 464 K N 1.869 122.329 120.400 0.101 0.000 2.127 464 K HA 0.447 4.748 4.320 -0.031 0.000 0.240 464 K C 1.535 178.290 176.600 0.259 0.000 1.024 464 K CA -0.542 55.862 56.287 0.196 0.000 0.918 464 K CB 0.329 32.951 32.500 0.203 0.000 1.108 464 K HN 0.275 nan 8.250 nan 0.000 0.485 465 A N 0.865 123.895 122.820 0.350 0.000 1.948 465 A HA -0.219 4.083 4.320 -0.031 0.000 0.220 465 A C 2.155 180.030 177.584 0.486 0.000 1.177 465 A CA 2.411 54.746 52.037 0.497 0.000 0.636 465 A CB -1.030 18.227 19.000 0.427 0.000 0.815 465 A HN 0.784 nan 8.150 nan 0.000 0.449 466 S N 0.098 116.001 115.700 0.338 0.000 2.399 466 S HA 0.036 4.488 4.470 -0.031 0.000 0.231 466 S C 2.050 176.888 174.600 0.397 0.000 1.022 466 S CA 1.295 59.687 58.200 0.320 0.000 0.983 466 S CB -0.677 62.726 63.200 0.338 0.000 0.803 466 S HN 0.925 nan 8.310 nan 0.000 0.480 467 A N 0.990 123.972 122.820 0.271 0.000 1.902 467 A HA 0.028 4.329 4.320 -0.031 0.000 0.217 467 A C 2.004 179.667 177.584 0.132 0.000 1.181 467 A CA 1.335 53.474 52.037 0.169 0.000 0.623 467 A CB -1.156 17.787 19.000 -0.094 0.000 0.818 467 A HN 0.660 nan 8.150 nan 0.000 0.443 468 Y N -2.860 117.640 120.300 0.333 0.000 2.293 468 Y HA -0.196 4.335 4.550 -0.031 0.000 0.291 468 Y C 2.209 178.317 175.900 0.345 0.000 1.137 468 Y CA 0.969 59.265 58.100 0.327 0.000 1.202 468 Y CB -0.320 38.357 38.460 0.361 0.000 0.990 468 Y HN 0.605 nan 8.280 nan 0.000 0.537 469 W N 0.118 121.523 121.300 0.175 0.000 2.335 469 W HA -0.270 4.371 4.660 -0.032 0.000 0.311 469 W C 1.624 177.922 176.519 -0.368 0.000 1.213 469 W CA 1.808 58.876 57.345 -0.460 0.000 1.274 469 W CB -0.715 28.245 29.460 -0.833 0.000 1.148 469 W HN 0.013 nan 8.180 nan 0.000 0.498 470 F N 0.447 120.420 119.950 0.040 0.000 2.134 470 F HA -0.157 4.352 4.527 -0.030 0.000 0.299 470 F C 2.750 178.274 175.800 -0.459 0.000 1.097 470 F CA 2.291 60.123 58.000 -0.279 0.000 1.264 470 F CB -1.133 37.761 39.000 -0.177 0.000 1.001 470 F HN -0.165 nan 8.300 nan 0.000 0.479 471 R N 0.476 120.938 120.500 -0.063 0.000 2.083 471 R HA -0.186 4.136 4.340 -0.031 0.000 0.237 471 R C 1.804 178.016 176.300 -0.148 0.000 1.137 471 R CA 2.163 58.204 56.100 -0.098 0.000 0.951 471 R CB -0.410 29.942 30.300 0.087 0.000 0.851 471 R HN 0.155 nan 8.270 nan 0.000 0.434 472 D N 0.078 120.405 120.400 -0.121 0.000 2.097 472 D HA -0.192 4.430 4.640 -0.031 0.000 0.197 472 D C 1.827 177.913 176.300 -0.357 0.000 0.984 472 D CA 1.032 54.943 54.000 -0.149 0.000 0.826 472 D CB -0.208 40.600 40.800 0.014 0.000 0.973 472 D HN 0.214 nan 8.370 nan 0.000 0.460 473 M N 0.114 119.325 119.600 -0.648 0.000 2.159 473 M HA -0.063 4.399 4.480 -0.031 0.000 0.263 473 M C 1.423 177.384 176.300 -0.564 0.000 1.063 473 M CA 1.100 55.947 55.300 -0.756 0.000 1.110 473 M CB -0.115 31.726 32.600 -1.265 0.000 1.374 473 M HN 0.008 nan 8.290 nan 0.000 0.411 474 L N 0.561 121.453 121.223 -0.550 0.000 2.607 474 L HA 0.080 4.402 4.340 -0.031 0.000 0.228 474 L C 0.672 177.230 176.870 -0.520 0.000 1.123 474 L CA -0.308 54.185 54.840 -0.577 0.000 0.890 474 L CB -0.312 41.344 42.059 -0.672 0.000 1.103 474 L HN 0.201 nan 8.230 nan 0.000 0.468 475 K N -0.026 120.161 120.400 -0.356 0.000 2.489 475 K HA 0.035 4.337 4.320 -0.031 0.000 0.278 475 K C -0.544 175.910 176.600 -0.244 0.000 1.000 475 K CA -0.023 56.118 56.287 -0.242 0.000 1.012 475 K CB 0.515 32.940 32.500 -0.125 0.000 0.903 475 K HN 0.101 nan 8.250 nan 0.000 0.485 476 H N 0.000 119.035 119.070 -0.058 0.000 2.539 476 H HA 0.000 4.537 4.556 -0.031 0.000 0.296 476 H CA 0.000 56.030 56.048 -0.030 0.000 1.023 476 H CB 0.000 29.751 29.762 -0.018 0.000 1.292 476 H HN 0.000 nan 8.280 nan 0.000 0.496