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 3aet_1_B DATA FIRST_RESID 1 DATA SEQUENCE MKLTLWTYEG PPHVGAMRVA TAMKDLQLVL HGPQGCTYAD LLFTMIERRN DATA SEQUENCE ARPPVSFSTF EASHMGTDTA ILLKDALAAA HARYKPQAMA VALTCTAELL DATA SEQUENCE QDDPNGISRA LNLPVPVVPL ELPSYSRKEN YGADETFRAL VRALAVPMER DATA SEQUENCE TPEVTCNLLG ATALGFRHRD DVAEVTKLLA TMGIKVNVCA PLGASPDDLR DATA SEQUENCE KLGQAHFNVL MYPETGESAA RHLERACKQP FTKIVPIGVG ATRDFLAEVS DATA SEQUENCE KITGLPVVTD ESTLRQPWWS ASVDSTYLTG KRVFIFGDGT HVIAAARIAA DATA SEQUENCE KEVGFEVVGM GCYNREMARP LRTAAAEYGL EALITDDYLE VEKAIEAAAP DATA SEQUENCE ELILGTQMER NIAKKLGLPC AVISAPVHVQ DFPARYAPQM GFEGANVLFD DATA SEQUENCE TWVHPLVMGL EEHLLTMFRE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.322 176.300 0.036 0.000 1.140 1 M CA 0.000 55.325 55.300 0.042 0.000 0.988 1 M CB 0.000 32.620 32.600 0.033 0.000 1.302 2 K N 2.840 123.264 120.400 0.040 0.000 2.367 2 K HA 0.537 4.970 4.320 0.188 0.000 0.263 2 K C -0.635 175.983 176.600 0.031 0.000 1.000 2 K CA -0.585 55.723 56.287 0.035 0.000 0.891 2 K CB 1.941 34.467 32.500 0.043 0.000 1.117 2 K HN 0.649 nan 8.250 nan 0.000 0.443 3 L N 3.448 124.685 121.223 0.024 0.000 2.584 3 L HA 0.033 4.485 4.340 0.188 0.000 0.272 3 L C -0.715 176.174 176.870 0.032 0.000 1.195 3 L CA 1.145 55.998 54.840 0.022 0.000 0.920 3 L CB 0.273 42.340 42.059 0.014 0.000 1.173 3 L HN 0.671 nan 8.230 nan 0.000 0.489 4 T N 5.819 120.394 114.554 0.036 0.000 2.890 4 T HA 0.227 4.690 4.350 0.188 0.000 0.295 4 T C 0.354 175.090 174.700 0.060 0.000 0.993 4 T CA -0.508 61.623 62.100 0.052 0.000 0.979 4 T CB 2.161 71.045 68.868 0.027 0.000 0.967 4 T HN 0.456 nan 8.240 nan 0.000 0.441 5 L N 2.691 123.992 121.223 0.131 0.000 2.370 5 L HA 0.553 5.005 4.340 0.188 0.000 0.191 5 L C 0.477 177.427 176.870 0.133 0.000 1.203 5 L CA 0.311 55.234 54.840 0.138 0.000 0.825 5 L CB -0.165 42.021 42.059 0.213 0.000 1.048 5 L HN 0.709 nan 8.230 nan 0.000 0.487 6 W N 1.874 123.179 121.300 0.008 0.000 2.238 6 W HA 0.318 5.091 4.660 0.189 0.000 0.321 6 W C -0.644 175.822 176.519 -0.089 0.000 1.293 6 W CA 0.092 57.359 57.345 -0.130 0.000 1.204 6 W CB 0.694 29.970 29.460 -0.307 0.000 1.167 6 W HN 0.245 nan 8.180 nan 0.000 0.553 7 T N 4.946 118.943 114.554 -0.927 0.000 2.856 7 T HA 0.283 4.746 4.350 0.188 0.000 0.283 7 T C 0.204 174.153 174.700 -1.251 0.000 1.008 7 T CA -0.368 61.276 62.100 -0.759 0.000 0.997 7 T CB 1.011 69.631 68.868 -0.413 0.000 0.992 7 T HN 0.396 nan 8.240 nan 0.000 0.454 8 Y N 1.931 121.894 120.300 -0.560 0.000 2.475 8 Y HA 0.316 4.977 4.550 0.185 0.000 0.289 8 Y C 1.432 177.012 175.900 -0.534 0.000 1.121 8 Y CA 0.235 58.013 58.100 -0.536 0.000 1.257 8 Y CB 0.507 38.611 38.460 -0.593 0.000 1.026 8 Y HN 0.563 nan 8.280 nan 0.000 0.555 9 E N -0.898 119.177 120.200 -0.208 0.000 2.317 9 E HA 0.408 4.871 4.350 0.188 0.000 0.270 9 E C -0.174 176.341 176.600 -0.143 0.000 0.885 9 E CA -0.730 55.598 56.400 -0.120 0.000 0.760 9 E CB 1.912 31.628 29.700 0.026 0.000 1.227 9 E HN 0.176 nan 8.360 nan 0.000 0.434 10 G N 2.003 110.727 108.800 -0.127 0.000 2.653 10 G HA2 0.292 4.364 3.960 0.188 0.000 0.265 10 G HA3 0.292 4.364 3.960 0.188 0.000 0.265 10 G C -2.297 172.543 174.900 -0.101 0.000 1.237 10 G CA -0.790 44.235 45.100 -0.126 0.000 0.946 10 G HN 0.265 nan 8.290 nan 0.000 0.522 11 P HA 0.206 nan 4.420 nan 0.000 0.274 11 P C -2.199 175.024 177.300 -0.128 0.000 1.237 11 P CA -1.454 61.583 63.100 -0.105 0.000 0.793 11 P CB 1.280 32.934 31.700 -0.077 0.000 0.977 12 P HA -0.210 nan 4.420 nan 0.000 0.218 12 P C 1.556 178.884 177.300 0.047 0.000 1.146 12 P CA 1.633 64.773 63.100 0.067 0.000 0.813 12 P CB -0.728 31.074 31.700 0.169 0.000 0.778 13 H N -1.395 117.706 119.070 0.051 0.000 2.491 13 H HA -0.013 4.657 4.556 0.188 0.000 0.290 13 H C 1.392 176.742 175.328 0.038 0.000 1.050 13 H CA 0.782 56.848 56.048 0.031 0.000 1.309 13 H CB -0.819 28.956 29.762 0.022 0.000 1.392 13 H HN -0.032 nan 8.280 nan 0.000 0.554 14 V N 1.601 121.288 119.914 -0.379 0.000 2.358 14 V HA -0.170 4.063 4.120 0.188 0.000 0.246 14 V C 3.091 179.196 176.094 0.019 0.000 1.047 14 V CA 1.750 63.956 62.300 -0.156 0.000 1.035 14 V CB -1.042 30.639 31.823 -0.236 0.000 0.658 14 V HN 0.677 nan 8.190 nan 0.000 0.452 15 G N -0.347 108.449 108.800 -0.007 0.000 2.440 15 G HA2 -0.222 3.851 3.960 0.188 0.000 0.218 15 G HA3 -0.222 3.851 3.960 0.188 0.000 0.218 15 G C 1.769 176.690 174.900 0.035 0.000 1.154 15 G CA 1.165 46.280 45.100 0.025 0.000 0.767 15 G HN 0.603 nan 8.290 nan 0.000 0.552 16 A N 1.010 123.854 122.820 0.040 0.000 1.851 16 A HA -0.054 4.379 4.320 0.188 0.000 0.216 16 A C 2.462 180.059 177.584 0.022 0.000 1.195 16 A CA 2.050 54.106 52.037 0.032 0.000 0.622 16 A CB -0.505 18.522 19.000 0.046 0.000 0.831 16 A HN 0.328 nan 8.150 nan 0.000 0.444 17 M N -1.541 118.093 119.600 0.057 0.000 2.143 17 M HA -0.223 4.370 4.480 0.188 0.000 0.258 17 M C 2.372 178.640 176.300 -0.052 0.000 1.071 17 M CA 2.016 57.315 55.300 -0.002 0.000 1.088 17 M CB -0.511 32.183 32.600 0.156 0.000 1.360 17 M HN 0.447 nan 8.290 nan 0.000 0.404 18 R N -0.316 120.264 120.500 0.133 0.000 2.148 18 R HA -0.051 4.401 4.340 0.188 0.000 0.223 18 R C 1.975 178.297 176.300 0.037 0.000 1.088 18 R CA 0.768 56.986 56.100 0.195 0.000 0.985 18 R CB 0.133 30.528 30.300 0.158 0.000 0.880 18 R HN 0.185 nan 8.270 nan 0.000 0.451 19 V N -0.152 119.757 119.914 -0.008 0.000 2.500 19 V HA -0.028 4.205 4.120 0.188 0.000 0.243 19 V C 2.164 178.227 176.094 -0.052 0.000 1.039 19 V CA 1.560 63.836 62.300 -0.041 0.000 1.053 19 V CB -0.011 31.807 31.823 -0.009 0.000 0.695 19 V HN 0.436 nan 8.190 nan 0.000 0.463 20 A N -0.067 122.713 122.820 -0.067 0.000 1.940 20 A HA -0.227 4.206 4.320 0.188 0.000 0.219 20 A C 2.349 179.852 177.584 -0.134 0.000 1.176 20 A CA 2.575 54.557 52.037 -0.092 0.000 0.631 20 A CB -0.874 18.059 19.000 -0.112 0.000 0.814 20 A HN 0.508 nan 8.150 nan 0.000 0.446 21 T N 0.133 114.567 114.554 -0.201 0.000 2.857 21 T HA 0.082 4.545 4.350 0.188 0.000 0.266 21 T C 2.186 176.819 174.700 -0.112 0.000 1.048 21 T CA 1.194 63.153 62.100 -0.235 0.000 1.139 21 T CB -0.377 68.226 68.868 -0.442 0.000 0.874 21 T HN 0.591 nan 8.240 nan 0.000 0.455 22 A N 1.450 124.229 122.820 -0.070 0.000 1.978 22 A HA 0.045 4.478 4.320 0.188 0.000 0.220 22 A C 1.293 178.857 177.584 -0.033 0.000 1.170 22 A CA 1.016 53.032 52.037 -0.035 0.000 0.636 22 A CB -0.601 18.370 19.000 -0.049 0.000 0.810 22 A HN 0.454 nan 8.150 nan 0.000 0.448 23 M N 0.248 119.824 119.600 -0.040 0.000 2.342 23 M HA 0.300 4.893 4.480 0.188 0.000 0.332 23 M C 0.007 176.288 176.300 -0.031 0.000 1.166 23 M CA -0.356 54.931 55.300 -0.022 0.000 1.086 23 M CB 1.266 33.862 32.600 -0.007 0.000 1.541 23 M HN 0.319 nan 8.290 nan 0.000 0.462 24 K N 0.113 120.504 120.400 -0.016 0.000 2.156 24 K HA 0.358 4.790 4.320 0.188 0.000 0.250 24 K C -0.742 175.850 176.600 -0.013 0.000 0.955 24 K CA -0.758 55.517 56.287 -0.019 0.000 0.855 24 K CB 1.271 33.766 32.500 -0.008 0.000 1.101 24 K HN 0.732 nan 8.250 nan 0.000 0.434 25 D N 0.550 120.940 120.400 -0.017 0.000 2.699 25 D HA -0.194 4.559 4.640 0.188 0.000 0.239 25 D C -0.952 175.345 176.300 -0.006 0.000 1.136 25 D CA 0.931 54.929 54.000 -0.004 0.000 0.668 25 D CB -0.805 40.000 40.800 0.009 0.000 1.060 25 D HN 0.519 nan 8.370 nan 0.000 0.429 26 L N 0.184 121.389 121.223 -0.028 0.000 2.505 26 L HA 0.239 4.691 4.340 0.188 0.000 0.266 26 L C -1.181 175.653 176.870 -0.060 0.000 0.954 26 L CA -0.529 54.294 54.840 -0.028 0.000 0.852 26 L CB 1.842 43.888 42.059 -0.021 0.000 1.282 26 L HN -0.210 nan 8.230 nan 0.000 0.403 27 Q N 4.120 123.894 119.800 -0.043 0.000 2.293 27 Q HA 0.496 4.949 4.340 0.188 0.000 0.261 27 Q C -1.311 174.654 176.000 -0.058 0.000 0.960 27 Q CA -0.587 55.176 55.803 -0.067 0.000 0.882 27 Q CB 2.702 31.428 28.738 -0.021 0.000 1.275 27 Q HN 0.625 nan 8.270 nan 0.000 0.445 28 L N 2.575 123.746 121.223 -0.088 0.000 2.322 28 L HA 0.533 4.986 4.340 0.188 0.000 0.281 28 L C -1.278 175.523 176.870 -0.116 0.000 1.014 28 L CA -0.635 54.149 54.840 -0.093 0.000 0.815 28 L CB 1.850 43.845 42.059 -0.108 0.000 1.247 28 L HN 0.308 nan 8.230 nan 0.000 0.421 29 V N 6.446 126.292 119.914 -0.113 0.000 2.378 29 V HA 0.429 4.662 4.120 0.188 0.000 0.288 29 V C -0.173 175.794 176.094 -0.211 0.000 1.016 29 V CA -0.516 61.700 62.300 -0.141 0.000 0.840 29 V CB 1.354 33.140 31.823 -0.060 0.000 0.994 29 V HN 0.596 nan 8.190 nan 0.000 0.431 30 L N 4.529 125.493 121.223 -0.432 0.000 2.287 30 L HA 0.493 4.946 4.340 0.188 0.000 0.287 30 L C 0.272 176.953 176.870 -0.315 0.000 1.022 30 L CA -0.463 54.067 54.840 -0.517 0.000 0.814 30 L CB 0.975 42.405 42.059 -1.048 0.000 1.217 30 L HN 0.643 nan 8.230 nan 0.000 0.420 31 H N 3.040 122.011 119.070 -0.165 0.000 2.878 31 H HA 0.467 5.136 4.556 0.188 0.000 0.290 31 H C -0.129 175.248 175.328 0.082 0.000 1.065 31 H CA 0.101 56.176 56.048 0.045 0.000 1.477 31 H CB 0.939 30.768 29.762 0.112 0.000 1.484 31 H HN 0.818 nan 8.280 nan 0.000 0.504 32 G N 5.343 114.053 108.800 -0.149 0.000 2.523 32 G HA2 0.140 4.212 3.960 0.188 0.000 0.291 32 G HA3 0.140 4.212 3.960 0.188 0.000 0.291 32 G C -3.293 171.011 174.900 -0.993 0.000 1.450 32 G CA -1.048 43.852 45.100 -0.332 0.000 0.790 32 G HN 0.326 nan 8.290 nan 0.000 0.496 33 P HA 0.148 nan 4.420 nan 0.000 0.274 33 P C -0.579 176.478 177.300 -0.404 0.000 1.246 33 P CA -0.281 62.355 63.100 -0.773 0.000 0.795 33 P CB 0.969 32.495 31.700 -0.290 0.000 1.006 34 Q N 0.616 120.243 119.800 -0.288 0.000 2.313 34 Q HA 0.288 4.741 4.340 0.188 0.000 0.266 34 Q C 0.789 176.710 176.000 -0.130 0.000 0.989 34 Q CA 0.838 56.544 55.803 -0.162 0.000 0.890 34 Q CB -0.211 28.481 28.738 -0.077 0.000 1.200 34 Q HN 0.876 nan 8.270 nan 0.000 0.396 35 G N 2.799 111.516 108.800 -0.139 0.000 2.195 35 G HA2 -0.255 3.818 3.960 0.188 0.000 0.224 35 G HA3 -0.255 3.818 3.960 0.188 0.000 0.224 35 G C 0.399 175.256 174.900 -0.072 0.000 0.990 35 G CA 0.045 45.089 45.100 -0.094 0.000 0.639 35 G HN 0.668 nan 8.290 nan 0.000 0.514 36 C N 2.858 122.080 119.300 -0.130 0.000 2.492 36 C HA 0.624 5.197 4.460 0.188 0.000 0.317 36 C C 2.174 177.004 174.990 -0.268 0.000 1.347 36 C CA 1.217 60.214 59.018 -0.035 0.000 1.759 36 C CB -1.667 26.063 27.740 -0.018 0.000 2.127 36 C HN 0.766 nan 8.230 nan 0.000 0.579 37 T N -2.983 111.308 114.554 -0.438 0.000 3.145 37 T HA 0.022 4.484 4.350 0.188 0.000 0.255 37 T C 1.271 175.770 174.700 -0.336 0.000 1.039 37 T CA 0.150 61.807 62.100 -0.738 0.000 0.928 37 T CB -0.731 67.633 68.868 -0.840 0.000 1.029 37 T HN 0.674 nan 8.240 nan 0.000 0.554 38 Y N 1.629 121.837 120.300 -0.153 0.000 2.283 38 Y HA -0.036 4.626 4.550 0.186 0.000 0.285 38 Y C 2.324 178.209 175.900 -0.025 0.000 1.176 38 Y CA 0.679 58.733 58.100 -0.077 0.000 1.229 38 Y CB -1.120 37.300 38.460 -0.066 0.000 0.975 38 Y HN 0.296 nan 8.280 nan 0.000 0.537 39 A N 0.720 123.117 122.820 -0.706 0.000 2.067 39 A HA -0.176 4.257 4.320 0.188 0.000 0.219 39 A C 1.791 179.387 177.584 0.020 0.000 1.158 39 A CA 1.367 53.165 52.037 -0.398 0.000 0.661 39 A CB -0.783 18.007 19.000 -0.351 0.000 0.801 39 A HN 0.577 nan 8.150 nan 0.000 0.452 40 D N 0.351 120.803 120.400 0.087 0.000 2.472 40 D HA -0.267 4.485 4.640 0.188 0.000 0.194 40 D C 1.656 178.034 176.300 0.130 0.000 1.023 40 D CA 1.873 55.967 54.000 0.158 0.000 0.869 40 D CB -0.692 40.125 40.800 0.028 0.000 0.997 40 D HN 0.301 nan 8.370 nan 0.000 0.463 41 L N -0.075 121.164 121.223 0.027 0.000 2.113 41 L HA -0.244 4.209 4.340 0.188 0.000 0.221 41 L C 2.449 179.266 176.870 -0.089 0.000 1.084 41 L CA 1.338 56.170 54.840 -0.013 0.000 0.787 41 L CB -0.971 41.091 42.059 0.006 0.000 0.893 41 L HN 0.136 nan 8.230 nan 0.000 0.440 42 L N -2.100 118.999 121.223 -0.207 0.000 2.056 42 L HA -0.132 4.321 4.340 0.188 0.000 0.207 42 L C 2.336 178.918 176.870 -0.480 0.000 1.078 42 L CA 1.618 56.206 54.840 -0.421 0.000 0.749 42 L CB -1.220 40.446 42.059 -0.656 0.000 0.901 42 L HN 0.131 nan 8.230 nan 0.000 0.433 43 F N -0.464 119.408 119.950 -0.131 0.000 2.259 43 F HA -0.093 4.548 4.527 0.190 0.000 0.298 43 F C 2.480 178.215 175.800 -0.109 0.000 1.088 43 F CA 1.290 59.213 58.000 -0.128 0.000 1.358 43 F CB -1.286 37.658 39.000 -0.093 0.000 1.040 43 F HN 0.192 nan 8.300 nan 0.000 0.505 44 T N -3.610 110.990 114.554 0.076 0.000 3.044 44 T HA 0.059 4.521 4.350 0.188 0.000 0.255 44 T C 1.768 176.458 174.700 -0.016 0.000 1.073 44 T CA 0.496 62.617 62.100 0.034 0.000 1.125 44 T CB 0.029 68.919 68.868 0.038 0.000 0.908 44 T HN -0.003 nan 8.240 nan 0.000 0.480 45 M N 0.517 120.085 119.600 -0.053 0.000 2.553 45 M HA 0.424 5.017 4.480 0.188 0.000 0.255 45 M C 2.378 178.607 176.300 -0.119 0.000 1.181 45 M CA 0.687 55.948 55.300 -0.065 0.000 1.210 45 M CB -0.718 31.852 32.600 -0.051 0.000 1.280 45 M HN 0.201 nan 8.290 nan 0.000 0.495 46 I N 0.170 120.615 120.570 -0.207 0.000 2.163 46 I HA -0.235 4.048 4.170 0.188 0.000 0.240 46 I C 2.440 178.250 176.117 -0.511 0.000 1.081 46 I CA 1.209 62.305 61.300 -0.340 0.000 1.353 46 I CB -0.348 37.408 38.000 -0.407 0.000 1.054 46 I HN 0.358 nan 8.210 nan 0.000 0.407 47 E N 0.620 120.515 120.200 -0.509 0.000 2.152 47 E HA -0.183 4.280 4.350 0.188 0.000 0.192 47 E C 0.789 177.353 176.600 -0.060 0.000 0.983 47 E CA 0.401 56.600 56.400 -0.335 0.000 0.818 47 E CB 0.227 29.839 29.700 -0.147 0.000 0.758 47 E HN 0.219 nan 8.360 nan 0.000 0.467 48 R N 0.358 120.822 120.500 -0.060 0.000 3.701 48 R HA -0.114 4.339 4.340 0.188 0.000 0.350 48 R C -0.797 175.513 176.300 0.018 0.000 1.134 48 R CA 0.321 56.416 56.100 -0.008 0.000 0.884 48 R CB -2.015 28.296 30.300 0.018 0.000 1.505 48 R HN -0.011 nan 8.270 nan 0.000 0.500 49 R N 0.489 121.004 120.500 0.025 0.000 2.734 49 R HA 0.106 4.558 4.340 0.188 0.000 0.266 49 R C 1.369 177.683 176.300 0.023 0.000 1.044 49 R CA 0.456 56.576 56.100 0.034 0.000 1.128 49 R CB 0.225 30.554 30.300 0.048 0.000 1.010 49 R HN 0.493 nan 8.270 nan 0.000 0.461 50 N N 0.578 119.289 118.700 0.018 0.000 2.368 50 N HA 0.004 4.856 4.740 0.188 0.000 0.178 50 N C -0.134 175.382 175.510 0.009 0.000 1.076 50 N CA 0.091 53.150 53.050 0.014 0.000 0.889 50 N CB 0.490 38.986 38.487 0.015 0.000 1.040 50 N HN 0.414 nan 8.380 nan 0.000 0.463 51 A N 0.769 123.590 122.820 0.001 0.000 2.313 51 A HA 0.563 4.995 4.320 0.188 0.000 0.323 51 A C 0.012 177.584 177.584 -0.020 0.000 1.133 51 A CA -0.732 51.300 52.037 -0.008 0.000 0.847 51 A CB 1.555 20.544 19.000 -0.017 0.000 1.308 51 A HN 0.114 nan 8.150 nan 0.000 0.475 52 R N 0.565 121.047 120.500 -0.030 0.000 2.694 52 R HA 0.271 4.724 4.340 0.188 0.000 0.268 52 R C -2.160 174.079 176.300 -0.101 0.000 1.061 52 R CA -1.199 54.874 56.100 -0.045 0.000 1.133 52 R CB 0.182 30.460 30.300 -0.036 0.000 1.020 52 R HN 0.537 nan 8.270 nan 0.000 0.475 53 P HA 0.045 nan 4.420 nan 0.000 0.268 53 P C -2.418 174.744 177.300 -0.230 0.000 1.205 53 P CA -1.199 61.750 63.100 -0.250 0.000 0.771 53 P CB 0.248 31.709 31.700 -0.398 0.000 0.858 54 P HA 0.058 nan 4.420 nan 0.000 0.238 54 P C -0.657 176.507 177.300 -0.226 0.000 1.714 54 P CA 0.260 63.199 63.100 -0.269 0.000 0.908 54 P CB -0.158 31.405 31.700 -0.227 0.000 1.893 55 V N 0.357 120.167 119.914 -0.173 0.000 2.638 55 V HA 0.413 4.645 4.120 0.188 0.000 0.306 55 V C 0.168 176.277 176.094 0.026 0.000 1.052 55 V CA -0.488 61.760 62.300 -0.088 0.000 0.885 55 V CB 2.232 34.025 31.823 -0.050 0.000 0.999 55 V HN 0.243 nan 8.190 nan 0.000 0.424 56 S N 3.367 119.076 115.700 0.016 0.000 2.600 56 S HA 0.915 5.498 4.470 0.188 0.000 0.300 56 S C -1.164 173.481 174.600 0.075 0.000 1.087 56 S CA -0.690 57.589 58.200 0.132 0.000 0.965 56 S CB 2.144 65.399 63.200 0.092 0.000 1.089 56 S HN 0.349 nan 8.310 nan 0.000 0.496 57 F N 0.410 120.351 119.950 -0.015 0.000 2.588 57 F HA 0.470 5.109 4.527 0.187 0.000 0.314 57 F C 1.398 177.203 175.800 0.008 0.000 1.069 57 F CA -0.947 57.036 58.000 -0.028 0.000 0.931 57 F CB 2.333 41.283 39.000 -0.083 0.000 1.260 57 F HN 0.699 nan 8.300 nan 0.000 0.465 58 S N -1.702 114.115 115.700 0.195 0.000 2.470 58 S HA -0.019 4.564 4.470 0.188 0.000 0.225 58 S C 0.555 175.242 174.600 0.146 0.000 1.006 58 S CA 0.562 58.885 58.200 0.204 0.000 0.934 58 S CB -0.812 62.617 63.200 0.382 0.000 0.778 58 S HN 0.812 nan 8.310 nan 0.000 0.517 59 T N 2.204 116.779 114.554 0.034 0.000 3.803 59 T HA -0.208 4.255 4.350 0.188 0.000 0.376 59 T C -0.034 174.677 174.700 0.019 0.000 0.761 59 T CA 0.780 62.851 62.100 -0.048 0.000 1.962 59 T CB -2.966 65.917 68.868 0.024 0.000 1.780 59 T HN 0.616 nan 8.240 nan 0.000 0.771 60 F N 0.106 120.109 119.950 0.087 0.000 2.418 60 F HA 0.682 5.322 4.527 0.188 0.000 0.341 60 F C 0.680 176.589 175.800 0.182 0.000 1.120 60 F CA -1.158 56.952 58.000 0.184 0.000 1.232 60 F CB 0.790 39.828 39.000 0.063 0.000 1.175 60 F HN 0.357 nan 8.300 nan 0.000 0.569 61 E N 1.944 122.433 120.200 0.482 0.000 2.412 61 E HA 0.590 5.053 4.350 0.188 0.000 0.255 61 E C 0.550 177.244 176.600 0.156 0.000 0.933 61 E CA -0.728 55.782 56.400 0.183 0.000 0.823 61 E CB 1.253 30.964 29.700 0.018 0.000 1.352 61 E HN 0.635 nan 8.360 nan 0.000 0.406 62 A N 1.101 123.959 122.820 0.063 0.000 1.892 62 A HA -0.182 4.251 4.320 0.188 0.000 0.218 62 A C 1.818 179.413 177.584 0.017 0.000 1.188 62 A CA 2.193 54.259 52.037 0.049 0.000 0.631 62 A CB -1.002 18.011 19.000 0.021 0.000 0.822 62 A HN 0.581 nan 8.150 nan 0.000 0.447 63 S N -1.431 114.228 115.700 -0.069 0.000 3.122 63 S HA 0.258 4.841 4.470 0.188 0.000 0.249 63 S C 0.203 174.732 174.600 -0.119 0.000 1.334 63 S CA 0.115 58.259 58.200 -0.093 0.000 1.251 63 S CB -0.890 62.235 63.200 -0.125 0.000 1.034 63 S HN 0.672 nan 8.310 nan 0.000 0.478 64 H N -0.326 118.773 119.070 0.047 0.000 3.297 64 H HA 0.304 4.972 4.556 0.188 0.000 0.254 64 H C -0.169 175.153 175.328 -0.010 0.000 1.192 64 H CA -0.815 55.256 56.048 0.038 0.000 1.058 64 H CB 0.378 30.193 29.762 0.089 0.000 1.777 64 H HN 0.394 nan 8.280 nan 0.000 0.696 65 M N 1.058 120.716 119.600 0.097 0.000 2.240 65 M HA 0.331 4.924 4.480 0.188 0.000 0.333 65 M C 1.090 177.403 176.300 0.021 0.000 1.110 65 M CA 0.596 55.912 55.300 0.027 0.000 1.173 65 M CB 0.200 32.811 32.600 0.019 0.000 1.458 65 M HN 0.486 nan 8.290 nan 0.000 0.458 66 G N 1.170 109.968 108.800 -0.005 0.000 2.619 66 G HA2 -0.119 3.954 3.960 0.188 0.000 0.686 66 G HA3 -0.119 3.954 3.960 0.188 0.000 0.686 66 G C 0.301 175.189 174.900 -0.020 0.000 1.256 66 G CA -0.190 44.907 45.100 -0.004 0.000 0.826 66 G HN 1.044 nan 8.290 nan 0.000 0.619 67 T N -1.663 112.879 114.554 -0.019 0.000 3.118 67 T HA -0.048 4.414 4.350 0.188 0.000 0.269 67 T C 1.495 176.176 174.700 -0.032 0.000 1.166 67 T CA 1.795 63.879 62.100 -0.028 0.000 1.073 67 T CB -0.257 68.598 68.868 -0.022 0.000 0.884 67 T HN 0.560 nan 8.240 nan 0.000 0.550 68 D N 2.215 122.601 120.400 -0.023 0.000 2.276 68 D HA -0.166 4.587 4.640 0.188 0.000 0.200 68 D C 2.326 178.582 176.300 -0.073 0.000 1.004 68 D CA 2.077 56.059 54.000 -0.031 0.000 0.898 68 D CB -0.417 40.390 40.800 0.011 0.000 0.906 68 D HN 0.806 nan 8.370 nan 0.000 0.457 69 T N -1.676 112.830 114.554 -0.081 0.000 2.937 69 T HA 0.156 4.618 4.350 0.188 0.000 0.260 69 T C 2.150 176.867 174.700 0.029 0.000 1.051 69 T CA 1.013 63.064 62.100 -0.081 0.000 1.141 69 T CB -0.208 68.512 68.868 -0.246 0.000 0.879 69 T HN 0.110 nan 8.240 nan 0.000 0.459 70 A N 2.035 124.835 122.820 -0.033 0.000 1.883 70 A HA 0.050 4.482 4.320 0.188 0.000 0.217 70 A C 2.321 179.865 177.584 -0.067 0.000 1.186 70 A CA 1.587 53.576 52.037 -0.079 0.000 0.624 70 A CB -0.976 17.983 19.000 -0.069 0.000 0.822 70 A HN 0.582 nan 8.150 nan 0.000 0.444 71 I N -0.658 119.887 120.570 -0.041 0.000 2.335 71 I HA -0.256 4.027 4.170 0.188 0.000 0.251 71 I C 2.370 178.477 176.117 -0.017 0.000 1.129 71 I CA 0.990 62.271 61.300 -0.031 0.000 1.402 71 I CB -0.320 37.664 38.000 -0.027 0.000 1.069 71 I HN 0.271 nan 8.210 nan 0.000 0.424 72 L N -0.271 120.952 121.223 -0.000 0.000 2.056 72 L HA -0.190 4.262 4.340 0.188 0.000 0.207 72 L C 2.439 179.364 176.870 0.091 0.000 1.078 72 L CA 0.946 55.812 54.840 0.043 0.000 0.749 72 L CB -0.288 41.805 42.059 0.056 0.000 0.901 72 L HN 0.260 nan 8.230 nan 0.000 0.433 73 L N -0.142 121.123 121.223 0.071 0.000 2.093 73 L HA -0.226 4.227 4.340 0.188 0.000 0.208 73 L C 2.475 179.324 176.870 -0.034 0.000 1.085 73 L CA 1.735 56.566 54.840 -0.015 0.000 0.755 73 L CB -0.673 41.153 42.059 -0.387 0.000 0.904 73 L HN 0.135 nan 8.230 nan 0.000 0.435 74 K N -0.362 120.010 120.400 -0.047 0.000 1.987 74 K HA -0.244 4.188 4.320 0.188 0.000 0.216 74 K C 1.779 178.377 176.600 -0.004 0.000 1.051 74 K CA 2.247 58.514 56.287 -0.033 0.000 0.942 74 K CB -0.407 32.073 32.500 -0.033 0.000 0.722 74 K HN 0.475 nan 8.250 nan 0.000 0.444 75 D N -0.239 120.166 120.400 0.010 0.000 2.264 75 D HA -0.106 4.646 4.640 0.188 0.000 0.208 75 D C 1.659 177.985 176.300 0.042 0.000 0.966 75 D CA 0.856 54.870 54.000 0.024 0.000 0.864 75 D CB 0.179 40.993 40.800 0.024 0.000 0.933 75 D HN 0.352 nan 8.370 nan 0.000 0.499 76 A N 0.921 123.771 122.820 0.051 0.000 1.873 76 A HA -0.119 4.314 4.320 0.188 0.000 0.215 76 A C 2.272 179.892 177.584 0.059 0.000 1.186 76 A CA 0.753 52.831 52.037 0.067 0.000 0.616 76 A CB -0.698 18.352 19.000 0.083 0.000 0.823 76 A HN 0.128 nan 8.150 nan 0.000 0.442 77 L N -0.522 120.722 121.223 0.036 0.000 2.046 77 L HA -0.175 4.278 4.340 0.188 0.000 0.208 77 L C 3.047 179.956 176.870 0.065 0.000 1.077 77 L CA 1.351 56.212 54.840 0.034 0.000 0.747 77 L CB -0.417 41.640 42.059 -0.003 0.000 0.896 77 L HN 0.423 nan 8.230 nan 0.000 0.432 78 A N -0.444 122.406 122.820 0.051 0.000 1.858 78 A HA -0.221 4.212 4.320 0.188 0.000 0.216 78 A C 2.484 180.125 177.584 0.095 0.000 1.190 78 A CA 1.949 54.026 52.037 0.067 0.000 0.617 78 A CB -1.043 17.980 19.000 0.039 0.000 0.827 78 A HN 0.413 nan 8.150 nan 0.000 0.443 79 A N -0.275 122.589 122.820 0.073 0.000 1.877 79 A HA 0.145 4.578 4.320 0.188 0.000 0.216 79 A C 2.532 180.165 177.584 0.082 0.000 1.186 79 A CA 2.291 54.364 52.037 0.061 0.000 0.620 79 A CB -1.107 17.928 19.000 0.058 0.000 0.822 79 A HN 1.132 nan 8.150 nan 0.000 0.443 80 A N -1.214 121.685 122.820 0.132 0.000 1.902 80 A HA -0.221 4.211 4.320 0.188 0.000 0.217 80 A C 2.153 179.861 177.584 0.206 0.000 1.181 80 A CA 1.804 53.967 52.037 0.209 0.000 0.623 80 A CB -0.952 18.147 19.000 0.166 0.000 0.818 80 A HN 0.790 nan 8.150 nan 0.000 0.443 81 H N -0.037 119.077 119.070 0.073 0.000 2.276 81 H HA -0.075 4.593 4.556 0.188 0.000 0.301 81 H C 2.383 177.728 175.328 0.028 0.000 1.073 81 H CA 1.779 57.858 56.048 0.052 0.000 1.311 81 H CB -0.343 29.434 29.762 0.026 0.000 1.379 81 H HN 0.383 nan 8.280 nan 0.000 0.494 82 A N 1.550 124.343 122.820 -0.045 0.000 1.896 82 A HA -0.276 4.156 4.320 0.188 0.000 0.220 82 A C 2.625 180.096 177.584 -0.189 0.000 1.206 82 A CA 2.239 54.204 52.037 -0.120 0.000 0.647 82 A CB -0.892 18.096 19.000 -0.019 0.000 0.828 82 A HN 0.534 nan 8.150 nan 0.000 0.455 83 R N -2.449 117.935 120.500 -0.194 0.000 2.073 83 R HA -0.100 4.352 4.340 0.188 0.000 0.229 83 R C 1.817 177.824 176.300 -0.489 0.000 1.120 83 R CA 1.876 57.742 56.100 -0.389 0.000 0.967 83 R CB -0.234 29.726 30.300 -0.567 0.000 0.862 83 R HN 0.666 nan 8.270 nan 0.000 0.436 84 Y N -0.095 120.157 120.300 -0.081 0.000 2.522 84 Y HA 0.229 4.893 4.550 0.188 0.000 0.277 84 Y C 0.097 175.942 175.900 -0.092 0.000 1.104 84 Y CA -0.344 57.715 58.100 -0.068 0.000 1.260 84 Y CB 0.702 39.138 38.460 -0.039 0.000 1.151 84 Y HN -0.185 nan 8.280 nan 0.000 0.539 85 K N 1.125 121.495 120.400 -0.050 0.000 3.974 85 K HA -0.141 4.291 4.320 0.188 0.000 0.280 85 K C -2.996 173.602 176.600 -0.002 0.000 0.949 85 K CA 0.280 56.492 56.287 -0.126 0.000 0.817 85 K CB -1.622 30.793 32.500 -0.142 0.000 1.535 85 K HN 0.316 nan 8.250 nan 0.000 0.444 86 P HA 0.193 nan 4.420 nan 0.000 0.290 86 P C 0.613 177.951 177.300 0.063 0.000 1.275 86 P CA -0.450 62.684 63.100 0.056 0.000 0.841 86 P CB 0.913 32.649 31.700 0.060 0.000 1.042 87 Q N 0.948 120.773 119.800 0.043 0.000 2.197 87 Q HA -0.020 4.432 4.340 0.188 0.000 0.207 87 Q C 0.807 176.833 176.000 0.043 0.000 0.984 87 Q CA 1.615 57.442 55.803 0.040 0.000 0.869 87 Q CB -0.159 28.595 28.738 0.027 0.000 0.906 87 Q HN 0.672 nan 8.270 nan 0.000 0.426 88 A N -0.959 121.885 122.820 0.040 0.000 2.529 88 A HA 0.792 5.225 4.320 0.188 0.000 0.296 88 A C -1.321 176.283 177.584 0.032 0.000 1.205 88 A CA -0.765 51.291 52.037 0.032 0.000 0.671 88 A CB 1.388 20.396 19.000 0.014 0.000 1.301 88 A HN 0.086 nan 8.150 nan 0.000 0.450 89 M N -1.313 118.297 119.600 0.017 0.000 2.755 89 M HA 0.706 5.298 4.480 0.188 0.000 0.273 89 M C -0.892 175.402 176.300 -0.010 0.000 1.278 89 M CA -0.459 54.846 55.300 0.009 0.000 0.819 89 M CB 2.582 35.196 32.600 0.023 0.000 1.694 89 M HN 1.411 nan 8.290 nan 0.000 0.460 90 A N 0.795 123.603 122.820 -0.021 0.000 2.547 90 A HA 0.821 5.254 4.320 0.188 0.000 0.297 90 A C -2.071 175.489 177.584 -0.040 0.000 1.056 90 A CA -0.678 51.342 52.037 -0.029 0.000 0.688 90 A CB 1.910 20.894 19.000 -0.026 0.000 1.282 90 A HN 0.640 nan 8.150 nan 0.000 0.400 91 V N 0.779 120.669 119.914 -0.039 0.000 2.735 91 V HA 0.965 5.198 4.120 0.188 0.000 0.310 91 V C -0.122 175.951 176.094 -0.035 0.000 1.061 91 V CA 0.441 62.713 62.300 -0.047 0.000 0.913 91 V CB 1.596 33.391 31.823 -0.047 0.000 1.005 91 V HN 2.359 nan 8.190 nan 0.000 0.428 92 A N 5.363 128.159 122.820 -0.039 0.000 2.557 92 A HA 0.854 5.286 4.320 0.188 0.000 0.292 92 A C -1.951 175.641 177.584 0.013 0.000 1.139 92 A CA -0.770 51.264 52.037 -0.006 0.000 0.665 92 A CB 1.427 20.431 19.000 0.007 0.000 1.285 92 A HN 0.881 nan 8.150 nan 0.000 0.433 93 L N 0.954 122.213 121.223 0.059 0.000 2.307 93 L HA 0.501 4.953 4.340 0.188 0.000 0.284 93 L C 0.543 177.458 176.870 0.075 0.000 1.023 93 L CA -0.568 54.336 54.840 0.106 0.000 0.810 93 L CB 1.784 43.932 42.059 0.148 0.000 1.231 93 L HN 0.764 nan 8.230 nan 0.000 0.423 94 T N 0.712 115.279 114.554 0.021 0.000 2.856 94 T HA -0.023 4.440 4.350 0.188 0.000 0.306 94 T C 1.433 176.208 174.700 0.123 0.000 1.062 94 T CA -0.300 61.798 62.100 -0.003 0.000 1.083 94 T CB 0.751 69.549 68.868 -0.117 0.000 0.984 94 T HN 0.949 nan 8.240 nan 0.000 0.542 95 C N 1.535 120.919 119.300 0.139 0.000 2.396 95 C HA -0.132 4.440 4.460 0.188 0.000 0.277 95 C C 2.563 177.715 174.990 0.271 0.000 1.231 95 C CA 1.417 60.522 59.018 0.145 0.000 1.775 95 C CB -1.935 25.771 27.740 -0.056 0.000 2.036 95 C HN 0.922 nan 8.230 nan 0.000 0.484 96 T N 1.698 116.381 114.554 0.215 0.000 2.777 96 T HA 0.032 4.495 4.350 0.188 0.000 0.266 96 T C 2.277 177.132 174.700 0.258 0.000 1.040 96 T CA 1.959 64.205 62.100 0.244 0.000 1.141 96 T CB -0.559 68.443 68.868 0.223 0.000 0.868 96 T HN 0.810 nan 8.240 nan 0.000 0.444 97 A N 1.060 124.041 122.820 0.269 0.000 2.066 97 A HA -0.021 4.411 4.320 0.188 0.000 0.218 97 A C 2.091 179.797 177.584 0.203 0.000 1.157 97 A CA 1.384 53.572 52.037 0.251 0.000 0.670 97 A CB -0.484 18.691 19.000 0.290 0.000 0.804 97 A HN 0.584 nan 8.150 nan 0.000 0.453 98 E N -0.110 120.216 120.200 0.210 0.000 2.204 98 E HA -0.065 4.398 4.350 0.188 0.000 0.194 98 E C 1.210 177.890 176.600 0.132 0.000 0.989 98 E CA 0.644 57.158 56.400 0.190 0.000 0.824 98 E CB -0.126 29.738 29.700 0.273 0.000 0.756 98 E HN 0.660 nan 8.360 nan 0.000 0.477 99 L N 0.909 122.208 121.223 0.127 0.000 2.611 99 L HA 0.163 4.615 4.340 0.188 0.000 0.229 99 L C 0.125 177.017 176.870 0.037 0.000 1.137 99 L CA -0.376 54.496 54.840 0.053 0.000 0.901 99 L CB 0.125 42.211 42.059 0.045 0.000 1.098 99 L HN 0.084 nan 8.230 nan 0.000 0.456 100 L N -1.034 120.219 121.223 0.049 0.000 2.335 100 L HA 0.268 4.721 4.340 0.188 0.000 0.268 100 L C 1.169 178.053 176.870 0.023 0.000 1.016 100 L CA 0.133 54.980 54.840 0.011 0.000 0.805 100 L CB 0.994 43.030 42.059 -0.037 0.000 1.311 100 L HN -0.196 nan 8.230 nan 0.000 0.456 101 Q N -0.338 119.463 119.800 0.002 0.000 2.163 101 Q HA 0.050 4.503 4.340 0.188 0.000 0.198 101 Q C -0.582 175.418 176.000 -0.000 0.000 0.954 101 Q CA 0.668 56.470 55.803 -0.001 0.000 0.851 101 Q CB 0.028 28.758 28.738 -0.014 0.000 0.928 101 Q HN 0.536 nan 8.270 nan 0.000 0.459 102 D N 1.667 122.067 120.400 -0.001 0.000 2.533 102 D HA -0.043 4.710 4.640 0.188 0.000 0.236 102 D C -0.360 175.915 176.300 -0.042 0.000 1.137 102 D CA 0.491 54.467 54.000 -0.041 0.000 0.867 102 D CB 0.501 41.249 40.800 -0.086 0.000 1.170 102 D HN 0.059 nan 8.370 nan 0.000 0.474 103 D N 2.117 122.482 120.400 -0.059 0.000 2.303 103 D HA 0.150 4.903 4.640 0.188 0.000 0.236 103 D C -1.629 174.633 176.300 -0.064 0.000 1.068 103 D CA -2.359 51.617 54.000 -0.040 0.000 0.830 103 D CB 1.899 42.682 40.800 -0.029 0.000 1.109 103 D HN -0.001 nan 8.370 nan 0.000 0.496 104 P HA -0.107 nan 4.420 nan 0.000 0.220 104 P C 0.821 178.093 177.300 -0.047 0.000 1.148 104 P CA 0.845 63.910 63.100 -0.058 0.000 0.803 104 P CB 0.681 32.364 31.700 -0.027 0.000 0.782 105 N N 0.050 118.729 118.700 -0.034 0.000 2.092 105 N HA -0.063 4.789 4.740 0.188 0.000 0.189 105 N C 2.198 177.686 175.510 -0.036 0.000 1.040 105 N CA 1.645 54.677 53.050 -0.030 0.000 0.845 105 N CB -0.848 37.628 38.487 -0.019 0.000 1.017 105 N HN 0.002 nan 8.380 nan 0.000 0.426 106 G N 0.883 109.661 108.800 -0.037 0.000 2.422 106 G HA2 -0.166 3.907 3.960 0.188 0.000 0.218 106 G HA3 -0.166 3.907 3.960 0.188 0.000 0.218 106 G C 1.242 176.115 174.900 -0.046 0.000 1.146 106 G CA 0.726 45.803 45.100 -0.037 0.000 0.769 106 G HN 0.218 nan 8.290 nan 0.000 0.547 107 I N 1.479 122.013 120.570 -0.061 0.000 2.406 107 I HA -0.065 4.217 4.170 0.188 0.000 0.249 107 I C 2.918 178.998 176.117 -0.061 0.000 1.122 107 I CA 1.470 62.728 61.300 -0.069 0.000 1.431 107 I CB -1.282 36.657 38.000 -0.102 0.000 1.087 107 I HN 0.326 nan 8.210 nan 0.000 0.424 108 S N 1.675 117.339 115.700 -0.060 0.000 2.356 108 S HA -0.173 4.409 4.470 0.188 0.000 0.223 108 S C 2.241 176.811 174.600 -0.050 0.000 1.032 108 S CA 0.981 59.149 58.200 -0.054 0.000 1.005 108 S CB -0.053 63.117 63.200 -0.049 0.000 0.867 108 S HN 0.293 nan 8.310 nan 0.000 0.449 109 R N 1.456 121.930 120.500 -0.043 0.000 2.070 109 R HA 0.011 4.464 4.340 0.188 0.000 0.233 109 R C 2.762 179.039 176.300 -0.039 0.000 1.137 109 R CA 1.422 57.499 56.100 -0.038 0.000 0.945 109 R CB -1.620 28.661 30.300 -0.031 0.000 0.845 109 R HN 0.577 nan 8.270 nan 0.000 0.430 110 A N 1.879 124.676 122.820 -0.038 0.000 1.852 110 A HA -0.207 4.226 4.320 0.188 0.000 0.217 110 A C 2.384 179.946 177.584 -0.038 0.000 1.215 110 A CA 1.615 53.631 52.037 -0.035 0.000 0.641 110 A CB -1.091 17.889 19.000 -0.035 0.000 0.838 110 A HN 0.288 nan 8.150 nan 0.000 0.450 111 L N -1.431 119.766 121.223 -0.043 0.000 2.051 111 L HA -0.271 4.182 4.340 0.188 0.000 0.214 111 L C 0.582 177.418 176.870 -0.056 0.000 1.076 111 L CA 1.676 56.489 54.840 -0.046 0.000 0.758 111 L CB -0.475 41.554 42.059 -0.049 0.000 0.890 111 L HN 0.725 nan 8.230 nan 0.000 0.433 112 N N 0.292 118.954 118.700 -0.063 0.000 2.525 112 N HA -0.172 4.681 4.740 0.188 0.000 0.283 112 N C -0.866 174.584 175.510 -0.100 0.000 1.259 112 N CA 0.214 53.222 53.050 -0.069 0.000 0.689 112 N CB -0.715 37.742 38.487 -0.050 0.000 0.899 112 N HN 0.035 nan 8.380 nan 0.000 0.541 113 L N 3.128 124.265 121.223 -0.143 0.000 2.439 113 L HA 0.412 4.865 4.340 0.188 0.000 0.259 113 L C -0.303 176.451 176.870 -0.193 0.000 1.129 113 L CA -1.388 53.299 54.840 -0.256 0.000 0.803 113 L CB -0.163 41.656 42.059 -0.399 0.000 1.161 113 L HN 0.320 nan 8.230 nan 0.000 0.462 114 P HA -0.112 nan 4.420 nan 0.000 0.216 114 P C 0.135 177.415 177.300 -0.033 0.000 1.150 114 P CA 0.955 64.015 63.100 -0.066 0.000 0.843 114 P CB 0.001 31.717 31.700 0.027 0.000 0.787 115 V N -5.769 114.121 119.914 -0.040 0.000 2.975 115 V HA 0.607 4.840 4.120 0.188 0.000 0.318 115 V C -2.690 173.393 176.094 -0.019 0.000 1.077 115 V CA -3.022 59.281 62.300 0.004 0.000 1.000 115 V CB 0.558 32.419 31.823 0.063 0.000 1.066 115 V HN -0.255 nan 8.190 nan 0.000 0.452 116 P HA 0.329 nan 4.420 nan 0.000 0.268 116 P C -0.868 176.420 177.300 -0.020 0.000 1.204 116 P CA 0.041 63.130 63.100 -0.018 0.000 0.768 116 P CB 0.782 32.473 31.700 -0.015 0.000 0.842 117 V N 4.621 124.518 119.914 -0.030 0.000 2.376 117 V HA 0.191 4.424 4.120 0.188 0.000 0.287 117 V C -0.086 175.989 176.094 -0.031 0.000 1.015 117 V CA -0.658 61.624 62.300 -0.029 0.000 0.834 117 V CB 2.020 33.820 31.823 -0.039 0.000 1.001 117 V HN 0.218 nan 8.190 nan 0.000 0.428 118 V N 7.832 127.728 119.914 -0.029 0.000 2.364 118 V HA 0.400 4.632 4.120 0.188 0.000 0.272 118 V C -2.154 173.922 176.094 -0.029 0.000 1.036 118 V CA -1.850 60.430 62.300 -0.032 0.000 0.880 118 V CB 1.531 33.333 31.823 -0.036 0.000 0.991 118 V HN 0.690 nan 8.190 nan 0.000 0.460 119 P HA 0.462 nan 4.420 nan 0.000 0.292 119 P C -1.074 176.220 177.300 -0.009 0.000 1.287 119 P CA -0.315 62.774 63.100 -0.019 0.000 0.800 119 P CB 1.240 32.929 31.700 -0.019 0.000 0.945 120 L N 1.901 123.126 121.223 0.002 0.000 2.346 120 L HA 0.492 4.945 4.340 0.188 0.000 0.276 120 L C 0.539 177.438 176.870 0.049 0.000 1.006 120 L CA -0.913 53.938 54.840 0.017 0.000 0.817 120 L CB 1.789 43.855 42.059 0.012 0.000 1.272 120 L HN 0.259 nan 8.230 nan 0.000 0.421 121 E N 3.376 123.620 120.200 0.073 0.000 2.014 121 E HA 0.380 4.843 4.350 0.188 0.000 0.275 121 E C -1.200 175.515 176.600 0.192 0.000 0.997 121 E CA -0.039 56.431 56.400 0.116 0.000 0.804 121 E CB 0.469 30.240 29.700 0.118 0.000 1.090 121 E HN 0.420 nan 8.360 nan 0.000 0.401 122 L N 7.475 128.804 121.223 0.176 0.000 2.387 122 L HA 0.385 4.838 4.340 0.188 0.000 0.259 122 L C -2.071 174.907 176.870 0.179 0.000 1.050 122 L CA -2.002 52.971 54.840 0.222 0.000 0.922 122 L CB 1.213 43.380 42.059 0.180 0.000 1.280 122 L HN 0.402 nan 8.230 nan 0.000 0.449 123 P HA 0.019 nan 4.420 nan 0.000 0.268 123 P C 0.645 178.006 177.300 0.101 0.000 1.485 123 P CA 0.133 63.300 63.100 0.113 0.000 1.102 123 P CB 1.306 33.024 31.700 0.030 0.000 1.501 124 S N 2.275 118.046 115.700 0.119 0.000 2.607 124 S HA -0.030 4.552 4.470 0.188 0.000 0.224 124 S C 0.696 175.152 174.600 -0.239 0.000 0.969 124 S CA 0.364 58.539 58.200 -0.041 0.000 0.927 124 S CB -0.630 62.522 63.200 -0.080 0.000 0.772 124 S HN 0.334 nan 8.310 nan 0.000 0.533 125 Y N 0.505 120.832 120.300 0.045 0.000 2.444 125 Y HA 0.270 4.933 4.550 0.189 0.000 0.249 125 Y C 2.246 178.156 175.900 0.016 0.000 1.134 125 Y CA 0.317 58.438 58.100 0.034 0.000 1.261 125 Y CB 0.532 39.012 38.460 0.033 0.000 1.143 125 Y HN 0.458 nan 8.280 nan 0.000 0.523 126 S N -1.667 114.099 115.700 0.110 0.000 2.628 126 S HA 0.366 4.948 4.470 0.188 0.000 0.246 126 S C 0.567 175.156 174.600 -0.018 0.000 1.062 126 S CA -0.443 57.782 58.200 0.042 0.000 1.028 126 S CB 0.624 63.836 63.200 0.020 0.000 0.985 126 S HN -0.097 nan 8.310 nan 0.000 0.551 127 R N 0.791 121.271 120.500 -0.033 0.000 3.084 127 R HA 0.785 5.237 4.340 0.188 0.000 0.234 127 R C -0.865 175.455 176.300 0.033 0.000 1.433 127 R CA -0.631 55.440 56.100 -0.049 0.000 1.053 127 R CB 0.380 30.542 30.300 -0.230 0.000 1.449 127 R HN 0.186 nan 8.270 nan 0.000 0.505 128 K N -0.426 120.035 120.400 0.102 0.000 2.305 128 K HA 0.233 4.666 4.320 0.188 0.000 0.268 128 K C 0.754 177.428 176.600 0.125 0.000 1.034 128 K CA -0.757 55.585 56.287 0.092 0.000 0.879 128 K CB 1.706 34.258 32.500 0.087 0.000 1.506 128 K HN 0.499 nan 8.250 nan 0.000 0.425 129 E N 0.690 120.929 120.200 0.065 0.000 2.055 129 E HA -0.333 4.130 4.350 0.188 0.000 0.209 129 E C 1.220 177.872 176.600 0.086 0.000 1.036 129 E CA 1.967 58.392 56.400 0.042 0.000 0.849 129 E CB -0.028 29.677 29.700 0.008 0.000 0.767 129 E HN 0.351 nan 8.360 nan 0.000 0.461 130 N N -0.389 118.385 118.700 0.123 0.000 2.104 130 N HA -0.198 4.654 4.740 0.188 0.000 0.190 130 N C 1.671 177.259 175.510 0.129 0.000 1.024 130 N CA 1.222 54.349 53.050 0.129 0.000 0.853 130 N CB -0.573 38.008 38.487 0.155 0.000 1.008 130 N HN 0.319 nan 8.380 nan 0.000 0.424 131 Y N 1.320 121.659 120.300 0.066 0.000 2.128 131 Y HA -0.154 4.508 4.550 0.187 0.000 0.284 131 Y C 2.369 178.306 175.900 0.061 0.000 1.154 131 Y CA 2.069 60.206 58.100 0.062 0.000 1.149 131 Y CB -0.833 37.661 38.460 0.056 0.000 0.976 131 Y HN 0.031 nan 8.280 nan 0.000 0.505 132 G N 0.014 108.846 108.800 0.053 0.000 2.476 132 G HA2 -0.362 3.711 3.960 0.188 0.000 0.218 132 G HA3 -0.362 3.711 3.960 0.188 0.000 0.218 132 G C 1.841 176.689 174.900 -0.086 0.000 1.164 132 G CA 1.433 46.522 45.100 -0.019 0.000 0.768 132 G HN 0.665 nan 8.290 nan 0.000 0.560 133 A N 0.481 123.282 122.820 -0.032 0.000 1.908 133 A HA -0.084 4.349 4.320 0.188 0.000 0.218 133 A C 2.124 179.702 177.584 -0.011 0.000 1.181 133 A CA 2.310 54.340 52.037 -0.011 0.000 0.627 133 A CB -0.485 18.523 19.000 0.013 0.000 0.818 133 A HN 0.373 nan 8.150 nan 0.000 0.445 134 D N -0.871 119.487 120.400 -0.071 0.000 2.091 134 D HA -0.111 4.642 4.640 0.188 0.000 0.199 134 D C 1.958 178.190 176.300 -0.114 0.000 0.980 134 D CA 1.437 55.411 54.000 -0.043 0.000 0.831 134 D CB -0.193 40.570 40.800 -0.062 0.000 0.987 134 D HN 0.360 nan 8.370 nan 0.000 0.460 135 E N -0.066 119.910 120.200 -0.374 0.000 2.013 135 E HA -0.176 4.286 4.350 0.188 0.000 0.202 135 E C 1.997 178.509 176.600 -0.146 0.000 1.018 135 E CA 2.348 58.539 56.400 -0.349 0.000 0.834 135 E CB -0.906 28.422 29.700 -0.620 0.000 0.770 135 E HN 0.176 nan 8.360 nan 0.000 0.459 136 T N 0.200 114.693 114.554 -0.102 0.000 2.714 136 T HA -0.227 4.236 4.350 0.188 0.000 0.268 136 T C 1.505 176.242 174.700 0.061 0.000 1.036 136 T CA 1.636 63.728 62.100 -0.014 0.000 1.148 136 T CB -0.558 68.314 68.868 0.006 0.000 0.856 136 T HN 0.241 nan 8.240 nan 0.000 0.462 137 F N 1.466 121.359 119.950 -0.095 0.000 2.270 137 F HA 0.229 4.870 4.527 0.190 0.000 0.295 137 F C 2.419 178.166 175.800 -0.089 0.000 1.087 137 F CA 0.408 58.364 58.000 -0.073 0.000 1.365 137 F CB -0.345 38.624 39.000 -0.052 0.000 1.056 137 F HN -0.108 nan 8.300 nan 0.000 0.506 138 R N 0.513 120.917 120.500 -0.160 0.000 2.097 138 R HA -0.217 4.236 4.340 0.188 0.000 0.236 138 R C 2.324 178.448 176.300 -0.294 0.000 1.135 138 R CA 1.754 57.697 56.100 -0.261 0.000 0.934 138 R CB -0.839 29.368 30.300 -0.155 0.000 0.846 138 R HN 0.341 nan 8.270 nan 0.000 0.431 139 A N 0.765 123.471 122.820 -0.191 0.000 1.940 139 A HA -0.165 4.267 4.320 0.188 0.000 0.219 139 A C 2.052 179.534 177.584 -0.170 0.000 1.176 139 A CA 1.191 53.130 52.037 -0.163 0.000 0.631 139 A CB -0.415 18.528 19.000 -0.094 0.000 0.814 139 A HN 0.270 nan 8.150 nan 0.000 0.446 140 L N -0.654 120.477 121.223 -0.153 0.000 2.072 140 L HA -0.085 4.367 4.340 0.188 0.000 0.205 140 L C 2.608 179.359 176.870 -0.198 0.000 1.079 140 L CA 1.316 56.082 54.840 -0.123 0.000 0.752 140 L CB -0.852 41.195 42.059 -0.020 0.000 0.906 140 L HN 0.210 nan 8.230 nan 0.000 0.436 141 V N -0.438 119.260 119.914 -0.359 0.000 2.307 141 V HA -0.264 3.968 4.120 0.188 0.000 0.245 141 V C 2.712 178.620 176.094 -0.309 0.000 1.045 141 V CA 1.650 63.740 62.300 -0.349 0.000 1.024 141 V CB -0.656 30.856 31.823 -0.518 0.000 0.651 141 V HN 0.424 nan 8.190 nan 0.000 0.449 142 R N 1.601 121.789 120.500 -0.521 0.000 2.117 142 R HA -0.163 4.290 4.340 0.188 0.000 0.243 142 R C 1.955 178.094 176.300 -0.268 0.000 1.143 142 R CA 2.222 57.903 56.100 -0.698 0.000 0.968 142 R CB -0.860 29.064 30.300 -0.627 0.000 0.863 142 R HN 0.450 nan 8.270 nan 0.000 0.444 143 A N -0.918 121.792 122.820 -0.183 0.000 2.021 143 A HA 0.145 4.577 4.320 0.188 0.000 0.216 143 A C 1.617 179.166 177.584 -0.059 0.000 1.163 143 A CA 0.787 52.767 52.037 -0.096 0.000 0.676 143 A CB 0.084 19.035 19.000 -0.081 0.000 0.818 143 A HN 0.296 nan 8.150 nan 0.000 0.453 144 L N -1.469 119.714 121.223 -0.065 0.000 2.642 144 L HA 0.395 4.848 4.340 0.188 0.000 0.233 144 L C 1.187 178.048 176.870 -0.015 0.000 1.077 144 L CA 0.565 55.384 54.840 -0.034 0.000 0.879 144 L CB -0.236 41.803 42.059 -0.033 0.000 1.151 144 L HN 0.249 nan 8.230 nan 0.000 0.495 145 A N 0.557 123.373 122.820 -0.007 0.000 2.366 145 A HA 0.614 5.047 4.320 0.188 0.000 0.272 145 A C -0.303 177.304 177.584 0.038 0.000 1.135 145 A CA -0.210 51.840 52.037 0.022 0.000 0.804 145 A CB 0.180 19.207 19.000 0.045 0.000 1.064 145 A HN 0.040 nan 8.150 nan 0.000 0.499 146 V N 0.372 120.296 119.914 0.017 0.000 2.914 146 V HA 0.647 4.880 4.120 0.188 0.000 0.314 146 V C -2.889 173.203 176.094 -0.003 0.000 1.084 146 V CA -2.721 59.586 62.300 0.011 0.000 0.963 146 V CB 1.329 33.155 31.823 0.006 0.000 1.025 146 V HN 0.687 nan 8.190 nan 0.000 0.432 147 P HA 0.335 nan 4.420 nan 0.000 0.265 147 P C -0.598 176.692 177.300 -0.017 0.000 1.187 147 P CA 0.414 63.504 63.100 -0.017 0.000 0.766 147 P CB 0.235 31.925 31.700 -0.017 0.000 0.820 148 M N 0.227 119.813 119.600 -0.024 0.000 2.644 148 M HA 0.277 4.869 4.480 0.188 0.000 0.273 148 M C -0.282 175.996 176.300 -0.036 0.000 1.253 148 M CA -0.826 54.459 55.300 -0.026 0.000 0.852 148 M CB 2.425 35.010 32.600 -0.026 0.000 1.708 148 M HN 0.205 nan 8.290 nan 0.000 0.471 149 E N 1.487 121.667 120.200 -0.034 0.000 2.354 149 E HA 0.201 4.663 4.350 0.188 0.000 0.269 149 E C -0.593 175.966 176.600 -0.069 0.000 1.036 149 E CA -0.533 55.842 56.400 -0.041 0.000 0.876 149 E CB 0.858 30.543 29.700 -0.025 0.000 1.009 149 E HN 0.278 nan 8.360 nan 0.000 0.416 150 R N 1.682 122.117 120.500 -0.108 0.000 2.734 150 R HA 0.071 4.524 4.340 0.188 0.000 0.266 150 R C 0.073 176.298 176.300 -0.124 0.000 1.044 150 R CA -0.131 55.839 56.100 -0.218 0.000 1.128 150 R CB -0.461 29.598 30.300 -0.402 0.000 1.010 150 R HN 0.670 nan 8.270 nan 0.000 0.461 151 T N -0.470 114.014 114.554 -0.116 0.000 2.855 151 T HA 0.071 4.534 4.350 0.188 0.000 0.314 151 T C -1.514 173.235 174.700 0.081 0.000 1.077 151 T CA -1.176 60.930 62.100 0.011 0.000 1.095 151 T CB 0.215 69.116 68.868 0.056 0.000 0.987 151 T HN 0.276 nan 8.240 nan 0.000 0.546 152 P HA 0.011 nan 4.420 nan 0.000 0.215 152 P C 0.575 177.939 177.300 0.106 0.000 1.157 152 P CA 0.931 64.075 63.100 0.074 0.000 0.863 152 P CB 0.085 31.812 31.700 0.045 0.000 0.787 153 E N -0.925 119.337 120.200 0.102 0.000 2.312 153 E HA 0.238 4.701 4.350 0.188 0.000 0.259 153 E C -0.711 175.989 176.600 0.167 0.000 1.122 153 E CA -0.625 55.830 56.400 0.092 0.000 0.922 153 E CB 0.531 30.267 29.700 0.059 0.000 1.109 153 E HN -0.316 nan 8.360 nan 0.000 0.442 154 V N 2.652 122.594 119.914 0.047 0.000 2.488 154 V HA 0.323 4.555 4.120 0.188 0.000 0.277 154 V C 0.087 176.263 176.094 0.136 0.000 1.046 154 V CA 0.349 62.625 62.300 -0.039 0.000 0.986 154 V CB 0.542 32.217 31.823 -0.248 0.000 0.989 154 V HN 0.846 nan 8.190 nan 0.000 0.475 155 T N 1.820 116.559 114.554 0.309 0.000 2.883 155 T HA 0.766 5.228 4.350 0.188 0.000 0.296 155 T C -0.552 174.167 174.700 0.032 0.000 1.117 155 T CA -0.705 61.479 62.100 0.139 0.000 1.006 155 T CB 1.776 70.698 68.868 0.089 0.000 1.191 155 T HN 1.016 nan 8.240 nan 0.000 0.508 156 C N 0.646 119.843 119.300 -0.173 0.000 3.291 156 C HA 0.871 5.444 4.460 0.188 0.000 0.316 156 C C -1.136 173.708 174.990 -0.242 0.000 1.391 156 C CA -1.034 57.724 59.018 -0.433 0.000 1.394 156 C CB 0.419 27.454 27.740 -1.175 0.000 1.744 156 C HN 1.059 nan 8.230 nan 0.000 0.461 157 N N 0.378 118.950 118.700 -0.213 0.000 2.466 157 N HA 0.712 5.564 4.740 0.188 0.000 0.294 157 N C -1.173 174.297 175.510 -0.067 0.000 1.129 157 N CA -0.541 52.456 53.050 -0.087 0.000 0.931 157 N CB 1.159 39.633 38.487 -0.022 0.000 1.193 157 N HN 0.681 nan 8.380 nan 0.000 0.500 158 L N 2.067 123.279 121.223 -0.019 0.000 2.264 158 L HA 0.411 4.863 4.340 0.188 0.000 0.287 158 L C -1.094 175.795 176.870 0.033 0.000 1.039 158 L CA -0.789 54.047 54.840 -0.006 0.000 0.829 158 L CB 0.379 42.429 42.059 -0.015 0.000 1.211 158 L HN 0.250 nan 8.230 nan 0.000 0.427 159 L N 3.025 124.280 121.223 0.053 0.000 2.282 159 L HA 0.688 5.141 4.340 0.188 0.000 0.288 159 L C 0.808 177.724 176.870 0.078 0.000 1.033 159 L CA 0.327 55.237 54.840 0.116 0.000 0.807 159 L CB 1.223 43.374 42.059 0.154 0.000 1.209 159 L HN 0.799 nan 8.230 nan 0.000 0.423 160 G N 2.489 111.295 108.800 0.011 0.000 2.545 160 G HA2 -0.097 3.976 3.960 0.188 0.000 0.195 160 G HA3 -0.097 3.976 3.960 0.188 0.000 0.195 160 G C 0.363 175.297 174.900 0.058 0.000 1.009 160 G CA -0.110 45.022 45.100 0.054 0.000 0.703 160 G HN 0.925 nan 8.290 nan 0.000 0.479 161 A N 0.876 123.736 122.820 0.065 0.000 2.462 161 A HA 0.701 5.133 4.320 0.188 0.000 0.243 161 A C 0.800 178.434 177.584 0.082 0.000 1.076 161 A CA 1.714 53.791 52.037 0.067 0.000 0.773 161 A CB 0.146 19.192 19.000 0.077 0.000 1.010 161 A HN 1.779 nan 8.150 nan 0.000 0.493 162 T N -1.341 113.383 114.554 0.284 0.000 2.754 162 T HA 0.748 5.210 4.350 0.188 0.000 0.296 162 T C -0.092 174.630 174.700 0.036 0.000 1.205 162 T CA -0.161 61.973 62.100 0.057 0.000 1.009 162 T CB 0.930 69.790 68.868 -0.014 0.000 1.368 162 T HN 1.703 nan 8.240 nan 0.000 0.509 163 A N 0.483 123.329 122.820 0.044 0.000 2.351 163 A HA 0.661 5.093 4.320 0.188 0.000 0.257 163 A C 1.173 178.804 177.584 0.078 0.000 1.087 163 A CA -0.636 51.469 52.037 0.115 0.000 0.798 163 A CB -0.762 18.362 19.000 0.206 0.000 1.033 163 A HN 1.466 nan 8.150 nan 0.000 0.488 164 L N -0.541 120.732 121.223 0.083 0.000 4.179 164 L HA -0.225 4.228 4.340 0.188 0.000 0.418 164 L C 1.020 177.940 176.870 0.083 0.000 1.168 164 L CA 0.328 55.167 54.840 -0.002 0.000 0.972 164 L CB -1.781 40.166 42.059 -0.186 0.000 2.005 164 L HN 0.988 nan 8.230 nan 0.000 0.935 165 G N -0.208 108.475 108.800 -0.194 0.000 2.353 165 G HA2 0.343 4.416 3.960 0.188 0.000 0.284 165 G HA3 0.343 4.416 3.960 0.188 0.000 0.284 165 G C -0.637 173.928 174.900 -0.559 0.000 1.172 165 G CA -0.377 44.043 45.100 -1.134 0.000 0.854 165 G HN 0.138 nan 8.290 nan 0.000 0.485 166 F N 4.546 124.264 119.950 -0.387 0.000 2.487 166 F HA 0.268 4.900 4.527 0.174 0.000 0.364 166 F C 1.268 176.985 175.800 -0.139 0.000 1.126 166 F CA -0.785 57.041 58.000 -0.289 0.000 1.135 166 F CB 0.280 39.198 39.000 -0.138 0.000 1.127 166 F HN 0.542 nan 8.300 nan 0.000 0.559 167 R N 3.574 123.609 120.500 -0.775 0.000 3.641 167 R HA -0.290 4.163 4.340 0.188 0.000 0.286 167 R C 0.731 176.953 176.300 -0.129 0.000 1.153 167 R CA 1.147 56.911 56.100 -0.561 0.000 0.775 167 R CB -2.919 26.952 30.300 -0.715 0.000 1.215 167 R HN 0.794 nan 8.270 nan 0.000 0.474 168 H N 0.565 119.485 119.070 -0.251 0.000 2.299 168 H HA 0.006 4.674 4.556 0.186 0.000 0.302 168 H C 2.153 177.448 175.328 -0.054 0.000 1.078 168 H CA 1.901 57.895 56.048 -0.090 0.000 1.323 168 H CB -0.090 29.591 29.762 -0.136 0.000 1.381 168 H HN 0.395 nan 8.280 nan 0.000 0.498 169 R N 0.571 121.101 120.500 0.050 0.000 2.168 169 R HA -0.216 4.236 4.340 0.188 0.000 0.242 169 R C 1.250 177.552 176.300 0.003 0.000 1.123 169 R CA 2.551 58.665 56.100 0.023 0.000 0.928 169 R CB -0.276 30.022 30.300 -0.002 0.000 0.873 169 R HN 0.325 nan 8.270 nan 0.000 0.434 170 D N -0.198 120.148 120.400 -0.091 0.000 2.234 170 D HA -0.072 4.680 4.640 0.188 0.000 0.205 170 D C 1.451 177.672 176.300 -0.132 0.000 0.962 170 D CA 0.812 54.719 54.000 -0.155 0.000 0.855 170 D CB -0.310 40.186 40.800 -0.507 0.000 0.951 170 D HN 0.309 nan 8.370 nan 0.000 0.500 171 D N 0.182 120.518 120.400 -0.107 0.000 2.097 171 D HA -0.097 4.656 4.640 0.188 0.000 0.197 171 D C 2.328 178.596 176.300 -0.053 0.000 0.984 171 D CA 0.434 54.384 54.000 -0.082 0.000 0.826 171 D CB -0.210 40.574 40.800 -0.027 0.000 0.973 171 D HN 0.006 nan 8.370 nan 0.000 0.460 172 V N 1.747 121.655 119.914 -0.011 0.000 2.231 172 V HA -0.332 3.900 4.120 0.188 0.000 0.250 172 V C 2.553 178.658 176.094 0.017 0.000 1.058 172 V CA 2.162 64.462 62.300 0.000 0.000 1.022 172 V CB -1.090 30.749 31.823 0.027 0.000 0.640 172 V HN 0.214 nan 8.190 nan 0.000 0.445 173 A N -0.091 122.765 122.820 0.059 0.000 1.870 173 A HA -0.376 4.057 4.320 0.188 0.000 0.219 173 A C 2.213 179.853 177.584 0.092 0.000 1.224 173 A CA 2.683 54.784 52.037 0.106 0.000 0.650 173 A CB -0.815 18.333 19.000 0.247 0.000 0.836 173 A HN 0.605 nan 8.150 nan 0.000 0.454 174 E N -0.754 119.512 120.200 0.109 0.000 2.110 174 E HA -0.104 4.359 4.350 0.188 0.000 0.193 174 E C 1.814 178.396 176.600 -0.030 0.000 0.988 174 E CA 1.332 57.770 56.400 0.065 0.000 0.804 174 E CB -0.274 29.447 29.700 0.035 0.000 0.745 174 E HN 0.260 nan 8.360 nan 0.000 0.458 175 V N -0.201 119.677 119.914 -0.062 0.000 2.379 175 V HA -0.239 3.994 4.120 0.188 0.000 0.245 175 V C 2.271 178.357 176.094 -0.013 0.000 1.044 175 V CA 2.054 64.307 62.300 -0.078 0.000 1.036 175 V CB -0.679 31.063 31.823 -0.134 0.000 0.664 175 V HN 0.371 nan 8.190 nan 0.000 0.453 176 T N 0.661 115.213 114.554 -0.003 0.000 2.624 176 T HA -0.302 4.161 4.350 0.188 0.000 0.268 176 T C 1.862 176.569 174.700 0.012 0.000 1.041 176 T CA 2.380 64.486 62.100 0.010 0.000 1.159 176 T CB -0.299 68.575 68.868 0.011 0.000 0.863 176 T HN 0.736 nan 8.240 nan 0.000 0.434 177 K N 1.496 121.899 120.400 0.005 0.000 2.148 177 K HA -0.072 4.361 4.320 0.188 0.000 0.204 177 K C 2.126 178.722 176.600 -0.007 0.000 1.050 177 K CA 1.432 57.720 56.287 0.001 0.000 0.942 177 K CB -0.479 32.020 32.500 -0.002 0.000 0.724 177 K HN 0.391 nan 8.250 nan 0.000 0.446 178 L N -0.422 120.784 121.223 -0.029 0.000 2.313 178 L HA 0.115 4.568 4.340 0.188 0.000 0.214 178 L C 1.922 178.804 176.870 0.020 0.000 1.119 178 L CA 1.055 55.866 54.840 -0.048 0.000 0.809 178 L CB -0.754 41.203 42.059 -0.170 0.000 0.933 178 L HN 0.060 nan 8.230 nan 0.000 0.449 179 L N 0.483 121.740 121.223 0.056 0.000 2.044 179 L HA -0.025 4.427 4.340 0.188 0.000 0.205 179 L C 2.888 179.787 176.870 0.049 0.000 1.075 179 L CA 1.137 56.027 54.840 0.082 0.000 0.747 179 L CB -0.865 41.254 42.059 0.101 0.000 0.903 179 L HN 0.413 nan 8.230 nan 0.000 0.435 180 A N 0.133 122.973 122.820 0.033 0.000 2.032 180 A HA -0.204 4.229 4.320 0.188 0.000 0.221 180 A C 2.224 179.821 177.584 0.021 0.000 1.165 180 A CA 2.248 54.300 52.037 0.024 0.000 0.645 180 A CB -0.887 18.123 19.000 0.016 0.000 0.807 180 A HN 0.511 nan 8.150 nan 0.000 0.453 181 T N -1.280 113.287 114.554 0.021 0.000 3.035 181 T HA 0.055 4.517 4.350 0.188 0.000 0.268 181 T C 1.449 176.162 174.700 0.022 0.000 1.109 181 T CA 1.178 63.292 62.100 0.024 0.000 1.119 181 T CB -0.165 68.722 68.868 0.031 0.000 0.900 181 T HN 0.436 nan 8.240 nan 0.000 0.503 182 M N 0.536 120.148 119.600 0.020 0.000 2.431 182 M HA 0.303 4.896 4.480 0.188 0.000 0.237 182 M C 1.721 178.026 176.300 0.008 0.000 1.130 182 M CA 0.173 55.480 55.300 0.010 0.000 1.002 182 M CB 0.447 33.048 32.600 0.002 0.000 1.524 182 M HN 0.533 nan 8.290 nan 0.000 0.482 183 G N 1.388 110.196 108.800 0.014 0.000 2.217 183 G HA2 -0.241 3.832 3.960 0.188 0.000 0.246 183 G HA3 -0.241 3.832 3.960 0.188 0.000 0.246 183 G C 0.191 175.104 174.900 0.022 0.000 0.990 183 G CA -0.326 44.782 45.100 0.012 0.000 0.627 183 G HN 0.471 nan 8.290 nan 0.000 0.522 184 I N 1.451 122.044 120.570 0.039 0.000 2.322 184 I HA 0.358 4.640 4.170 0.188 0.000 0.292 184 I C 0.516 176.663 176.117 0.049 0.000 1.060 184 I CA -0.537 60.801 61.300 0.063 0.000 1.309 184 I CB 0.934 39.009 38.000 0.126 0.000 1.415 184 I HN -0.125 nan 8.210 nan 0.000 0.492 185 K N 4.622 125.045 120.400 0.038 0.000 2.098 185 K HA 0.372 4.805 4.320 0.188 0.000 0.257 185 K C -0.603 176.003 176.600 0.011 0.000 0.999 185 K CA -0.491 55.811 56.287 0.025 0.000 0.924 185 K CB 1.515 34.029 32.500 0.024 0.000 1.028 185 K HN 0.354 nan 8.250 nan 0.000 0.466 186 V N 3.669 123.584 119.914 0.000 0.000 2.498 186 V HA 0.128 4.360 4.120 0.188 0.000 0.279 186 V C 0.952 177.039 176.094 -0.012 0.000 1.048 186 V CA 0.021 62.310 62.300 -0.019 0.000 0.967 186 V CB 0.832 32.647 31.823 -0.014 0.000 0.988 186 V HN 0.859 nan 8.190 nan 0.000 0.473 187 N N 3.730 122.415 118.700 -0.025 0.000 2.105 187 N HA 0.003 4.855 4.740 0.188 0.000 0.190 187 N C 0.147 175.655 175.510 -0.004 0.000 1.066 187 N CA 1.613 54.656 53.050 -0.012 0.000 0.861 187 N CB 0.346 38.819 38.487 -0.022 0.000 1.048 187 N HN 0.666 nan 8.380 nan 0.000 0.442 188 V N -0.444 119.469 119.914 -0.003 0.000 2.623 188 V HA 0.431 4.664 4.120 0.188 0.000 0.304 188 V C -0.334 175.772 176.094 0.020 0.000 1.054 188 V CA -1.343 60.965 62.300 0.014 0.000 0.882 188 V CB 0.729 32.567 31.823 0.026 0.000 1.002 188 V HN 0.438 nan 8.190 nan 0.000 0.424 189 C N 5.548 124.860 119.300 0.020 0.000 2.415 189 C HA 0.927 5.500 4.460 0.188 0.000 0.369 189 C C 0.542 175.554 174.990 0.036 0.000 1.279 189 C CA 0.761 59.793 59.018 0.023 0.000 1.886 189 C CB -0.717 27.032 27.740 0.015 0.000 2.468 189 C HN 1.905 nan 8.230 nan 0.000 0.553 190 A N 6.435 129.285 122.820 0.049 0.000 2.574 190 A HA 0.796 5.228 4.320 0.188 0.000 0.297 190 A C -2.432 175.059 177.584 -0.154 0.000 1.062 190 A CA -0.970 51.096 52.037 0.049 0.000 0.686 190 A CB 1.217 20.344 19.000 0.212 0.000 1.285 190 A HN 0.480 nan 8.150 nan 0.000 0.403 191 P HA 0.014 nan 4.420 nan 0.000 0.223 191 P C 0.463 177.708 177.300 -0.091 0.000 1.151 191 P CA 0.356 63.299 63.100 -0.261 0.000 0.787 191 P CB 0.047 31.479 31.700 -0.447 0.000 0.788 192 L N 0.439 121.617 121.223 -0.075 0.000 2.477 192 L HA 0.383 4.836 4.340 0.188 0.000 0.272 192 L C 1.047 177.921 176.870 0.006 0.000 1.157 192 L CA 0.734 55.566 54.840 -0.013 0.000 0.889 192 L CB -0.934 41.140 42.059 0.025 0.000 1.158 192 L HN 0.298 nan 8.230 nan 0.000 0.473 193 G N 3.608 112.413 108.800 0.009 0.000 2.295 193 G HA2 0.010 4.082 3.960 0.188 0.000 0.287 193 G HA3 0.010 4.082 3.960 0.188 0.000 0.287 193 G C 0.002 174.912 174.900 0.017 0.000 1.055 193 G CA 0.242 45.350 45.100 0.014 0.000 0.922 193 G HN 1.220 nan 8.290 nan 0.000 0.503 194 A N -0.707 122.124 122.820 0.018 0.000 2.475 194 A HA 0.975 5.408 4.320 0.188 0.000 0.301 194 A C 0.175 177.775 177.584 0.028 0.000 1.059 194 A CA 0.453 52.508 52.037 0.030 0.000 0.710 194 A CB 1.564 20.595 19.000 0.052 0.000 1.288 194 A HN 1.928 nan 8.150 nan 0.000 0.408 195 S N 1.596 117.313 115.700 0.028 0.000 2.651 195 S HA 0.661 5.243 4.470 0.188 0.000 0.291 195 S C -2.196 172.422 174.600 0.031 0.000 1.141 195 S CA -1.304 56.910 58.200 0.023 0.000 1.027 195 S CB 1.402 64.613 63.200 0.018 0.000 1.043 195 S HN 0.301 nan 8.310 nan 0.000 0.530 196 P HA -0.151 nan 4.420 nan 0.000 0.216 196 P C 1.073 178.385 177.300 0.020 0.000 1.153 196 P CA 1.293 64.407 63.100 0.024 0.000 0.858 196 P CB -0.048 31.663 31.700 0.019 0.000 0.789 197 D N -0.558 119.853 120.400 0.018 0.000 2.157 197 D HA -0.204 4.548 4.640 0.188 0.000 0.191 197 D C 1.372 177.682 176.300 0.016 0.000 1.004 197 D CA 1.323 55.332 54.000 0.016 0.000 0.854 197 D CB -0.402 40.407 40.800 0.015 0.000 0.936 197 D HN 0.208 nan 8.370 nan 0.000 0.446 198 D N -0.002 120.411 120.400 0.021 0.000 2.219 198 D HA -0.107 4.646 4.640 0.188 0.000 0.205 198 D C 2.104 178.421 176.300 0.028 0.000 0.970 198 D CA 0.201 54.216 54.000 0.024 0.000 0.851 198 D CB -0.029 40.788 40.800 0.029 0.000 0.943 198 D HN 0.188 nan 8.370 nan 0.000 0.488 199 L N 0.807 122.049 121.223 0.031 0.000 2.291 199 L HA -0.039 4.414 4.340 0.188 0.000 0.214 199 L C 2.283 179.159 176.870 0.009 0.000 1.120 199 L CA 1.056 55.913 54.840 0.028 0.000 0.799 199 L CB -0.329 41.748 42.059 0.029 0.000 0.925 199 L HN -0.086 nan 8.230 nan 0.000 0.446 200 R N -0.557 119.948 120.500 0.008 0.000 2.090 200 R HA -0.051 4.401 4.340 0.188 0.000 0.228 200 R C 1.524 177.826 176.300 0.003 0.000 1.110 200 R CA 0.653 56.756 56.100 0.004 0.000 0.973 200 R CB -0.206 30.096 30.300 0.004 0.000 0.869 200 R HN 0.211 nan 8.270 nan 0.000 0.440 201 K N 1.094 121.497 120.400 0.005 0.000 2.632 201 K HA 0.006 4.439 4.320 0.188 0.000 0.196 201 K C 1.389 177.988 176.600 -0.001 0.000 1.023 201 K CA 0.123 56.411 56.287 0.001 0.000 1.098 201 K CB 0.042 32.545 32.500 0.004 0.000 0.862 201 K HN 0.173 nan 8.250 nan 0.000 0.504 202 L N -0.366 120.858 121.223 0.001 0.000 2.044 202 L HA -0.100 4.353 4.340 0.188 0.000 0.205 202 L C 2.420 179.283 176.870 -0.012 0.000 1.075 202 L CA 1.292 56.132 54.840 0.000 0.000 0.747 202 L CB -0.578 41.484 42.059 0.005 0.000 0.903 202 L HN 0.342 nan 8.230 nan 0.000 0.435 203 G N -0.244 108.547 108.800 -0.015 0.000 2.517 203 G HA2 -0.323 3.750 3.960 0.188 0.000 0.222 203 G HA3 -0.323 3.750 3.960 0.188 0.000 0.222 203 G C 1.335 176.207 174.900 -0.046 0.000 1.109 203 G CA 0.979 46.063 45.100 -0.025 0.000 0.746 203 G HN 0.619 nan 8.290 nan 0.000 0.576 204 Q N -0.088 119.682 119.800 -0.050 0.000 2.444 204 Q HA 0.463 4.916 4.340 0.188 0.000 0.206 204 Q C 0.788 176.713 176.000 -0.124 0.000 0.948 204 Q CA 0.455 56.210 55.803 -0.080 0.000 0.946 204 Q CB 0.118 28.825 28.738 -0.051 0.000 1.027 204 Q HN 0.331 nan 8.270 nan 0.000 0.513 205 A N 0.647 123.410 122.820 -0.094 0.000 2.292 205 A HA 0.409 4.842 4.320 0.188 0.000 0.319 205 A C -0.533 177.016 177.584 -0.059 0.000 1.206 205 A CA -0.647 51.344 52.037 -0.077 0.000 0.835 205 A CB 0.527 19.496 19.000 -0.051 0.000 1.164 205 A HN 0.345 nan 8.150 nan 0.000 0.505 206 H N 1.517 120.630 119.070 0.073 0.000 2.289 206 H HA -0.035 4.633 4.556 0.188 0.000 0.296 206 H C 0.374 175.859 175.328 0.261 0.000 1.091 206 H CA 3.075 59.223 56.048 0.167 0.000 1.274 206 H CB -0.256 29.649 29.762 0.240 0.000 1.364 206 H HN 0.735 nan 8.280 nan 0.000 0.490 207 F N -2.241 117.800 119.950 0.152 0.000 2.664 207 F HA 0.543 5.182 4.527 0.187 0.000 0.317 207 F C -1.099 174.769 175.800 0.113 0.000 1.108 207 F CA -1.521 56.544 58.000 0.109 0.000 0.957 207 F CB 1.501 40.548 39.000 0.078 0.000 1.365 207 F HN -0.290 nan 8.300 nan 0.000 0.475 208 N N 1.186 119.988 118.700 0.170 0.000 2.408 208 N HA 0.404 5.257 4.740 0.188 0.000 0.280 208 N C -1.316 174.311 175.510 0.194 0.000 1.002 208 N CA -0.488 52.608 53.050 0.078 0.000 0.907 208 N CB 2.472 41.065 38.487 0.176 0.000 1.161 208 N HN 0.511 nan 8.380 nan 0.000 0.488 209 V N 3.331 123.282 119.914 0.062 0.000 2.372 209 V HA 0.125 4.357 4.120 0.188 0.000 0.261 209 V C 0.705 176.884 176.094 0.141 0.000 1.055 209 V CA -0.640 61.787 62.300 0.212 0.000 0.930 209 V CB 0.896 32.848 31.823 0.215 0.000 1.031 209 V HN 0.455 nan 8.190 nan 0.000 0.479 210 L N 6.898 128.239 121.223 0.198 0.000 2.433 210 L HA 0.203 4.655 4.340 0.188 0.000 0.284 210 L C 1.090 177.943 176.870 -0.029 0.000 1.120 210 L CA 0.216 55.122 54.840 0.110 0.000 0.879 210 L CB 0.843 43.025 42.059 0.206 0.000 1.232 210 L HN 0.683 nan 8.230 nan 0.000 0.454 211 M N 5.046 124.558 119.600 -0.148 0.000 2.098 211 M HA -0.090 4.503 4.480 0.188 0.000 0.262 211 M C -0.206 175.654 176.300 -0.734 0.000 1.072 211 M CA 1.540 56.535 55.300 -0.508 0.000 1.133 211 M CB -0.342 31.944 32.600 -0.523 0.000 1.344 211 M HN 0.470 nan 8.290 nan 0.000 0.414 212 Y N -1.091 119.159 120.300 -0.083 0.000 2.363 212 Y HA 0.299 4.960 4.550 0.186 0.000 0.325 212 Y C -1.844 174.050 175.900 -0.010 0.000 0.984 212 Y CA -2.212 55.851 58.100 -0.062 0.000 1.248 212 Y CB 0.354 38.787 38.460 -0.046 0.000 1.116 212 Y HN 0.033 nan 8.280 nan 0.000 0.470 213 P HA -0.252 nan 4.420 nan 0.000 0.216 213 P C 1.276 178.638 177.300 0.103 0.000 1.157 213 P CA 1.964 65.116 63.100 0.087 0.000 0.880 213 P CB 0.399 32.142 31.700 0.072 0.000 0.791 214 E N -0.746 119.527 120.200 0.122 0.000 2.267 214 E HA -0.148 4.315 4.350 0.188 0.000 0.197 214 E C 1.347 178.017 176.600 0.115 0.000 0.998 214 E CA 2.025 58.494 56.400 0.114 0.000 0.830 214 E CB -1.432 28.335 29.700 0.112 0.000 0.751 214 E HN 0.396 nan 8.360 nan 0.000 0.491 215 T N -3.403 111.231 114.554 0.133 0.000 2.971 215 T HA 0.372 4.834 4.350 0.188 0.000 0.252 215 T C 1.250 176.014 174.700 0.107 0.000 1.022 215 T CA 0.240 62.399 62.100 0.098 0.000 0.980 215 T CB 0.752 69.669 68.868 0.082 0.000 1.044 215 T HN 0.214 nan 8.240 nan 0.000 0.501 216 G N 0.460 109.345 108.800 0.142 0.000 5.302 216 G HA2 0.270 4.343 3.960 0.188 0.000 0.223 216 G HA3 0.270 4.343 3.960 0.188 0.000 0.223 216 G C 0.333 175.291 174.900 0.097 0.000 0.832 216 G CA -0.198 45.047 45.100 0.240 0.000 0.714 216 G HN 0.300 nan 8.290 nan 0.000 0.444 217 E N -0.011 120.201 120.200 0.019 0.000 2.216 217 E HA -0.007 4.456 4.350 0.188 0.000 0.192 217 E C 2.106 178.611 176.600 -0.158 0.000 0.973 217 E CA 0.593 56.923 56.400 -0.116 0.000 0.851 217 E CB 0.343 30.029 29.700 -0.024 0.000 0.804 217 E HN 0.304 nan 8.360 nan 0.000 0.477 218 S N 0.878 116.548 115.700 -0.051 0.000 2.359 218 S HA -0.183 4.400 4.470 0.188 0.000 0.224 218 S C 2.082 176.632 174.600 -0.084 0.000 1.035 218 S CA 1.204 59.377 58.200 -0.045 0.000 1.018 218 S CB -0.232 62.954 63.200 -0.024 0.000 0.876 218 S HN 0.418 nan 8.310 nan 0.000 0.448 219 A N 1.537 124.294 122.820 -0.105 0.000 1.940 219 A HA 0.050 4.483 4.320 0.188 0.000 0.219 219 A C 2.350 179.839 177.584 -0.158 0.000 1.176 219 A CA 1.808 53.728 52.037 -0.195 0.000 0.631 219 A CB -1.099 17.658 19.000 -0.405 0.000 0.814 219 A HN 0.525 nan 8.150 nan 0.000 0.446 220 A N -0.306 122.359 122.820 -0.259 0.000 1.877 220 A HA -0.179 4.254 4.320 0.188 0.000 0.216 220 A C 2.271 179.553 177.584 -0.502 0.000 1.186 220 A CA 1.545 53.266 52.037 -0.527 0.000 0.620 220 A CB -0.495 17.844 19.000 -1.101 0.000 0.822 220 A HN 0.541 nan 8.150 nan 0.000 0.443 221 R N -1.653 118.602 120.500 -0.407 0.000 2.080 221 R HA -0.193 4.260 4.340 0.188 0.000 0.236 221 R C 2.285 178.603 176.300 0.030 0.000 1.137 221 R CA 1.848 57.917 56.100 -0.053 0.000 0.943 221 R CB -0.661 29.646 30.300 0.011 0.000 0.846 221 R HN 0.827 nan 8.270 nan 0.000 0.431 222 H N 0.788 119.815 119.070 -0.071 0.000 2.387 222 H HA -0.055 4.614 4.556 0.188 0.000 0.299 222 H C 1.851 177.159 175.328 -0.033 0.000 1.099 222 H CA 1.492 57.509 56.048 -0.053 0.000 1.315 222 H CB -0.149 29.556 29.762 -0.094 0.000 1.380 222 H HN 0.087 nan 8.280 nan 0.000 0.513 223 L N 0.044 121.212 121.223 -0.092 0.000 2.376 223 L HA -0.069 4.384 4.340 0.188 0.000 0.219 223 L C 2.378 179.227 176.870 -0.035 0.000 1.133 223 L CA 1.091 55.876 54.840 -0.092 0.000 0.816 223 L CB -0.354 41.703 42.059 -0.004 0.000 0.933 223 L HN 0.482 nan 8.230 nan 0.000 0.449 224 E N 0.600 120.825 120.200 0.042 0.000 2.110 224 E HA -0.238 4.225 4.350 0.188 0.000 0.193 224 E C 2.322 178.927 176.600 0.010 0.000 0.988 224 E CA 1.150 57.614 56.400 0.108 0.000 0.804 224 E CB 0.204 30.045 29.700 0.234 0.000 0.745 224 E HN 0.476 nan 8.360 nan 0.000 0.458 225 R N 0.132 120.591 120.500 -0.069 0.000 2.055 225 R HA 0.124 4.577 4.340 0.188 0.000 0.221 225 R C 2.399 178.616 176.300 -0.138 0.000 1.154 225 R CA 0.932 56.976 56.100 -0.094 0.000 0.975 225 R CB -0.724 29.522 30.300 -0.091 0.000 0.869 225 R HN 0.054 nan 8.270 nan 0.000 0.437 226 A N 1.507 124.160 122.820 -0.277 0.000 1.894 226 A HA -0.233 4.200 4.320 0.188 0.000 0.220 226 A C 1.801 179.321 177.584 -0.106 0.000 1.237 226 A CA 1.942 53.839 52.037 -0.233 0.000 0.660 226 A CB -0.887 17.902 19.000 -0.351 0.000 0.835 226 A HN 0.725 nan 8.150 nan 0.000 0.461 227 C N -1.850 117.401 119.300 -0.081 0.000 2.859 227 C HA 0.463 5.036 4.460 0.188 0.000 0.256 227 C C 0.025 175.005 174.990 -0.017 0.000 1.660 227 C CA -0.855 58.139 59.018 -0.040 0.000 1.755 227 C CB -0.415 27.306 27.740 -0.032 0.000 3.127 227 C HN 0.532 nan 8.230 nan 0.000 0.494 228 K N 0.927 121.318 120.400 -0.016 0.000 3.311 228 K HA -0.243 4.190 4.320 0.188 0.000 0.270 228 K C -0.402 176.223 176.600 0.041 0.000 0.927 228 K CA 1.108 57.400 56.287 0.009 0.000 0.706 228 K CB -1.362 31.140 32.500 0.005 0.000 1.418 228 K HN 0.769 nan 8.250 nan 0.000 0.459 229 Q N 0.812 120.651 119.800 0.066 0.000 2.314 229 Q HA 0.295 4.748 4.340 0.188 0.000 0.259 229 Q C -2.224 173.884 176.000 0.181 0.000 0.951 229 Q CA -1.912 53.965 55.803 0.122 0.000 0.909 229 Q CB 1.625 30.432 28.738 0.116 0.000 1.236 229 Q HN 0.047 nan 8.270 nan 0.000 0.444 230 P HA 0.112 nan 4.420 nan 0.000 0.293 230 P C -1.179 176.260 177.300 0.231 0.000 1.300 230 P CA -0.354 62.812 63.100 0.109 0.000 0.792 230 P CB 0.219 31.932 31.700 0.021 0.000 0.925 231 F N 0.325 120.346 119.950 0.119 0.000 2.385 231 F HA 0.534 5.174 4.527 0.187 0.000 0.336 231 F C 0.727 176.613 175.800 0.144 0.000 1.100 231 F CA -1.081 57.008 58.000 0.149 0.000 1.116 231 F CB 0.024 39.092 39.000 0.114 0.000 1.166 231 F HN 0.190 nan 8.300 nan 0.000 0.511 232 T N -0.044 114.709 114.554 0.331 0.000 2.902 232 T HA 0.145 4.608 4.350 0.188 0.000 0.301 232 T C 0.508 175.344 174.700 0.226 0.000 1.012 232 T CA -0.640 61.599 62.100 0.233 0.000 1.151 232 T CB 1.087 70.185 68.868 0.383 0.000 0.946 232 T HN 0.770 nan 8.240 nan 0.000 0.542 233 K N 1.818 122.281 120.400 0.106 0.000 2.284 233 K HA 0.366 4.798 4.320 0.188 0.000 0.198 233 K C 0.582 177.252 176.600 0.117 0.000 1.048 233 K CA 0.278 56.626 56.287 0.101 0.000 0.987 233 K CB 0.292 32.794 32.500 0.004 0.000 0.800 233 K HN 0.709 nan 8.250 nan 0.000 0.486 234 I N 2.746 123.404 120.570 0.146 0.000 2.322 234 I HA 0.079 4.361 4.170 0.188 0.000 0.292 234 I C -0.449 175.760 176.117 0.153 0.000 1.060 234 I CA -0.828 60.561 61.300 0.148 0.000 1.309 234 I CB 1.019 39.114 38.000 0.158 0.000 1.415 234 I HN -0.231 nan 8.210 nan 0.000 0.492 235 V N 7.447 127.367 119.914 0.010 0.000 2.455 235 V HA 0.188 4.421 4.120 0.188 0.000 0.273 235 V C -1.949 174.025 176.094 -0.199 0.000 1.045 235 V CA -1.653 60.555 62.300 -0.153 0.000 0.976 235 V CB 0.251 31.976 31.823 -0.164 0.000 0.993 235 V HN 0.609 nan 8.190 nan 0.000 0.475 236 P HA 0.411 nan 4.420 nan 0.000 0.244 236 P C -0.579 176.599 177.300 -0.204 0.000 1.769 236 P CA 0.204 63.102 63.100 -0.336 0.000 1.102 236 P CB -0.035 31.253 31.700 -0.687 0.000 1.937 237 I N 1.711 122.224 120.570 -0.093 0.000 2.439 237 I HA 0.609 4.891 4.170 0.188 0.000 0.285 237 I C 0.594 176.724 176.117 0.021 0.000 1.021 237 I CA -0.176 61.106 61.300 -0.030 0.000 1.091 237 I CB 1.777 39.788 38.000 0.017 0.000 1.242 237 I HN 0.392 nan 8.210 nan 0.000 0.439 238 G N 3.606 112.417 108.800 0.017 0.000 2.663 238 G HA2 -0.106 3.966 3.960 0.188 0.000 0.686 238 G HA3 -0.106 3.966 3.960 0.188 0.000 0.686 238 G C 0.106 175.056 174.900 0.083 0.000 1.288 238 G CA -0.510 44.614 45.100 0.040 0.000 0.836 238 G HN 0.356 nan 8.290 nan 0.000 0.584 239 V N 1.465 121.439 119.914 0.099 0.000 2.273 239 V HA 0.115 4.348 4.120 0.188 0.000 0.242 239 V C 3.255 179.439 176.094 0.149 0.000 1.035 239 V CA 3.066 65.462 62.300 0.159 0.000 1.013 239 V CB -1.315 30.561 31.823 0.088 0.000 0.652 239 V HN 1.673 nan 8.190 nan 0.000 0.452 240 G N 0.094 108.955 108.800 0.102 0.000 2.476 240 G HA2 -0.293 3.779 3.960 0.188 0.000 0.218 240 G HA3 -0.293 3.779 3.960 0.188 0.000 0.218 240 G C 1.783 176.744 174.900 0.101 0.000 1.164 240 G CA 1.459 46.615 45.100 0.093 0.000 0.768 240 G HN 0.627 nan 8.290 nan 0.000 0.560 241 A N -0.012 122.865 122.820 0.095 0.000 1.908 241 A HA -0.065 4.368 4.320 0.188 0.000 0.218 241 A C 2.543 180.196 177.584 0.115 0.000 1.181 241 A CA 2.618 54.709 52.037 0.089 0.000 0.627 241 A CB -1.050 17.986 19.000 0.060 0.000 0.818 241 A HN 0.330 nan 8.150 nan 0.000 0.445 242 T N -0.202 114.418 114.554 0.110 0.000 2.708 242 T HA -0.144 4.318 4.350 0.188 0.000 0.266 242 T C 2.051 176.870 174.700 0.198 0.000 1.037 242 T CA 1.475 63.651 62.100 0.127 0.000 1.146 242 T CB -0.275 68.635 68.868 0.070 0.000 0.865 242 T HN 0.532 nan 8.240 nan 0.000 0.435 243 R N 1.324 121.940 120.500 0.194 0.000 2.096 243 R HA -0.116 4.337 4.340 0.188 0.000 0.240 243 R C 2.074 178.440 176.300 0.110 0.000 1.139 243 R CA 1.690 57.886 56.100 0.160 0.000 0.952 243 R CB -0.580 29.801 30.300 0.135 0.000 0.854 243 R HN 0.433 nan 8.270 nan 0.000 0.436 244 D N 0.273 120.738 120.400 0.108 0.000 2.219 244 D HA -0.142 4.611 4.640 0.188 0.000 0.205 244 D C 1.614 177.965 176.300 0.085 0.000 0.970 244 D CA 0.797 54.842 54.000 0.074 0.000 0.851 244 D CB -0.267 40.576 40.800 0.071 0.000 0.943 244 D HN 0.151 nan 8.370 nan 0.000 0.488 245 F N 1.356 121.301 119.950 -0.008 0.000 2.146 245 F HA -0.051 4.590 4.527 0.190 0.000 0.298 245 F C 2.028 177.812 175.800 -0.025 0.000 1.096 245 F CA 0.896 58.885 58.000 -0.018 0.000 1.275 245 F CB -0.273 38.711 39.000 -0.027 0.000 1.008 245 F HN -0.163 nan 8.300 nan 0.000 0.480 246 L N 0.061 121.236 121.223 -0.080 0.000 2.093 246 L HA -0.148 4.305 4.340 0.188 0.000 0.208 246 L C 2.810 179.561 176.870 -0.198 0.000 1.085 246 L CA 1.132 55.859 54.840 -0.187 0.000 0.755 246 L CB -1.045 41.011 42.059 -0.005 0.000 0.904 246 L HN 0.276 nan 8.230 nan 0.000 0.435 247 A N -0.061 122.690 122.820 -0.115 0.000 1.898 247 A HA -0.260 4.172 4.320 0.188 0.000 0.216 247 A C 2.236 179.722 177.584 -0.163 0.000 1.181 247 A CA 1.772 53.745 52.037 -0.108 0.000 0.620 247 A CB -0.518 18.450 19.000 -0.054 0.000 0.819 247 A HN 0.510 nan 8.150 nan 0.000 0.442 248 E N -0.101 119.984 120.200 -0.190 0.000 2.118 248 E HA -0.153 4.310 4.350 0.188 0.000 0.195 248 E C 1.712 178.111 176.600 -0.334 0.000 0.992 248 E CA 1.631 57.898 56.400 -0.221 0.000 0.804 248 E CB -0.192 29.397 29.700 -0.185 0.000 0.741 248 E HN 0.285 nan 8.360 nan 0.000 0.458 249 V N 0.553 120.189 119.914 -0.464 0.000 2.358 249 V HA -0.218 4.015 4.120 0.188 0.000 0.246 249 V C 2.497 178.339 176.094 -0.419 0.000 1.047 249 V CA 1.706 63.673 62.300 -0.555 0.000 1.035 249 V CB -0.490 30.977 31.823 -0.592 0.000 0.658 249 V HN 0.361 nan 8.190 nan 0.000 0.452 250 S N 0.263 115.792 115.700 -0.284 0.000 2.383 250 S HA -0.302 4.280 4.470 0.188 0.000 0.229 250 S C 2.097 176.579 174.600 -0.197 0.000 1.030 250 S CA 2.361 60.440 58.200 -0.201 0.000 1.002 250 S CB -0.257 62.861 63.200 -0.138 0.000 0.829 250 S HN 0.690 nan 8.310 nan 0.000 0.467 251 K N 1.005 121.282 120.400 -0.205 0.000 2.097 251 K HA 0.073 4.505 4.320 0.188 0.000 0.205 251 K C 1.825 178.299 176.600 -0.211 0.000 1.050 251 K CA 1.779 57.960 56.287 -0.177 0.000 0.938 251 K CB -0.497 31.911 32.500 -0.153 0.000 0.718 251 K HN 0.511 nan 8.250 nan 0.000 0.442 252 I N 0.948 121.331 120.570 -0.311 0.000 2.406 252 I HA -0.149 4.134 4.170 0.188 0.000 0.249 252 I C 1.986 177.903 176.117 -0.333 0.000 1.122 252 I CA 1.542 62.625 61.300 -0.362 0.000 1.431 252 I CB -0.324 37.312 38.000 -0.608 0.000 1.087 252 I HN 0.483 nan 8.210 nan 0.000 0.424 253 T N -3.238 111.106 114.554 -0.351 0.000 3.015 253 T HA 0.321 4.784 4.350 0.188 0.000 0.250 253 T C 1.651 176.247 174.700 -0.173 0.000 1.057 253 T CA 0.595 62.537 62.100 -0.263 0.000 1.066 253 T CB 0.843 69.555 68.868 -0.261 0.000 0.959 253 T HN 0.448 nan 8.240 nan 0.000 0.488 254 G N 1.602 110.309 108.800 -0.156 0.000 2.284 254 G HA2 -0.227 3.846 3.960 0.188 0.000 0.247 254 G HA3 -0.227 3.846 3.960 0.188 0.000 0.247 254 G C 0.015 174.855 174.900 -0.099 0.000 1.012 254 G CA 0.152 45.185 45.100 -0.111 0.000 0.618 254 G HN 0.646 nan 8.290 nan 0.000 0.521 255 L N 3.305 124.462 121.223 -0.110 0.000 2.456 255 L HA 0.345 4.798 4.340 0.188 0.000 0.272 255 L C -1.260 175.565 176.870 -0.075 0.000 1.189 255 L CA -1.599 53.190 54.840 -0.084 0.000 0.846 255 L CB 0.327 42.337 42.059 -0.081 0.000 1.111 255 L HN 0.061 nan 8.230 nan 0.000 0.475 256 P HA -0.024 nan 4.420 nan 0.000 0.271 256 P C -0.448 176.831 177.300 -0.036 0.000 1.216 256 P CA -0.169 62.906 63.100 -0.042 0.000 0.776 256 P CB 1.312 32.995 31.700 -0.028 0.000 0.881 257 V N 5.252 125.146 119.914 -0.032 0.000 2.403 257 V HA 0.058 4.291 4.120 0.188 0.000 0.265 257 V C -0.253 175.846 176.094 0.008 0.000 1.034 257 V CA 0.103 62.392 62.300 -0.019 0.000 1.036 257 V CB -0.121 31.692 31.823 -0.017 0.000 1.032 257 V HN 0.194 nan 8.190 nan 0.000 0.478 258 V N 6.469 126.392 119.914 0.016 0.000 2.435 258 V HA 0.636 4.869 4.120 0.188 0.000 0.290 258 V C 0.281 176.416 176.094 0.068 0.000 1.030 258 V CA -0.086 62.235 62.300 0.034 0.000 0.881 258 V CB 2.057 33.893 31.823 0.023 0.000 0.983 258 V HN 0.988 nan 8.190 nan 0.000 0.445 259 T N -0.190 114.425 114.554 0.103 0.000 2.861 259 T HA 0.505 4.967 4.350 0.188 0.000 0.287 259 T C -0.899 173.906 174.700 0.175 0.000 1.003 259 T CA -0.716 61.502 62.100 0.195 0.000 0.977 259 T CB 1.760 70.808 68.868 0.299 0.000 0.996 259 T HN 0.570 nan 8.240 nan 0.000 0.448 260 D N 1.814 122.349 120.400 0.225 0.000 2.499 260 D HA 0.227 4.980 4.640 0.188 0.000 0.225 260 D C 0.489 176.896 176.300 0.180 0.000 1.124 260 D CA -0.503 53.591 54.000 0.157 0.000 0.938 260 D CB 0.559 41.428 40.800 0.115 0.000 1.014 260 D HN 0.665 nan 8.370 nan 0.000 0.517 261 E N 0.828 121.061 120.200 0.055 0.000 2.403 261 E HA 0.003 4.465 4.350 0.188 0.000 0.188 261 E C 1.215 177.760 176.600 -0.092 0.000 1.056 261 E CA -0.031 56.297 56.400 -0.119 0.000 0.892 261 E CB 0.330 29.896 29.700 -0.223 0.000 1.049 261 E HN 0.446 nan 8.360 nan 0.000 0.465 262 S N -0.570 115.116 115.700 -0.022 0.000 2.522 262 S HA -0.090 4.493 4.470 0.188 0.000 0.227 262 S C 1.821 176.408 174.600 -0.022 0.000 0.986 262 S CA 0.935 59.122 58.200 -0.021 0.000 0.929 262 S CB 0.191 63.390 63.200 -0.003 0.000 0.769 262 S HN 0.168 nan 8.310 nan 0.000 0.529 263 T N 0.300 114.842 114.554 -0.019 0.000 3.043 263 T HA 0.337 4.799 4.350 0.188 0.000 0.272 263 T C 0.295 174.959 174.700 -0.059 0.000 0.990 263 T CA -0.496 61.591 62.100 -0.022 0.000 0.897 263 T CB -0.263 68.610 68.868 0.008 0.000 1.111 263 T HN 0.388 nan 8.240 nan 0.000 0.529 264 L N 3.053 124.213 121.223 -0.105 0.000 2.623 264 L HA 0.338 4.790 4.340 0.188 0.000 0.281 264 L C 0.836 177.619 176.870 -0.146 0.000 1.150 264 L CA 0.246 54.976 54.840 -0.183 0.000 0.965 264 L CB 0.091 41.896 42.059 -0.423 0.000 1.303 264 L HN 0.263 nan 8.230 nan 0.000 0.467 265 R N 1.577 121.965 120.500 -0.186 0.000 2.308 265 R HA -0.016 4.436 4.340 0.188 0.000 0.202 265 R C 1.762 177.957 176.300 -0.175 0.000 0.898 265 R CA -0.028 55.955 56.100 -0.196 0.000 1.046 265 R CB 0.271 30.224 30.300 -0.579 0.000 1.026 265 R HN 0.694 nan 8.270 nan 0.000 0.512 266 Q N 1.632 121.283 119.800 -0.248 0.000 2.061 266 Q HA -0.106 4.347 4.340 0.188 0.000 0.204 266 Q C -1.007 174.877 176.000 -0.193 0.000 0.984 266 Q CA 1.661 57.284 55.803 -0.300 0.000 0.846 266 Q CB -0.661 27.956 28.738 -0.202 0.000 0.902 266 Q HN 0.152 nan 8.270 nan 0.000 0.421 267 P HA -0.192 nan 4.420 nan 0.000 0.215 267 P C 1.138 178.479 177.300 0.069 0.000 1.153 267 P CA 1.373 64.467 63.100 -0.009 0.000 0.853 267 P CB -0.750 30.956 31.700 0.009 0.000 0.788 268 W N -0.854 120.444 121.300 -0.003 0.000 2.379 268 W HA -0.156 4.618 4.660 0.190 0.000 0.307 268 W C 1.839 178.364 176.519 0.009 0.000 1.200 268 W CA 0.742 58.104 57.345 0.028 0.000 1.297 268 W CB -0.984 28.526 29.460 0.084 0.000 1.140 268 W HN -0.001 nan 8.180 nan 0.000 0.507 269 W N 0.540 121.515 121.300 -0.542 0.000 2.301 269 W HA -0.306 4.463 4.660 0.182 0.000 0.325 269 W C 2.848 178.941 176.519 -0.710 0.000 1.250 269 W CA 1.980 58.870 57.345 -0.759 0.000 1.261 269 W CB -1.248 27.631 29.460 -0.968 0.000 1.157 269 W HN -0.092 nan 8.180 nan 0.000 0.473 270 S N -0.277 115.160 115.700 -0.438 0.000 2.453 270 S HA -0.017 4.565 4.470 0.188 0.000 0.231 270 S C 1.711 176.218 174.600 -0.154 0.000 1.005 270 S CA 1.141 59.246 58.200 -0.159 0.000 0.949 270 S CB -0.253 62.924 63.200 -0.038 0.000 0.774 270 S HN 0.188 nan 8.310 nan 0.000 0.510 271 A N 0.605 123.283 122.820 -0.237 0.000 2.067 271 A HA 0.243 4.676 4.320 0.188 0.000 0.217 271 A C 1.375 178.721 177.584 -0.396 0.000 1.156 271 A CA 0.678 52.595 52.037 -0.200 0.000 0.683 271 A CB -0.633 18.352 19.000 -0.026 0.000 0.808 271 A HN 0.525 nan 8.150 nan 0.000 0.455 272 S N -0.834 114.409 115.700 -0.762 0.000 2.572 272 S HA 0.138 4.720 4.470 0.188 0.000 0.267 272 S C 1.246 175.634 174.600 -0.354 0.000 1.361 272 S CA 0.109 57.810 58.200 -0.831 0.000 1.009 272 S CB 0.873 63.455 63.200 -1.030 0.000 0.888 272 S HN 0.292 nan 8.310 nan 0.000 0.553 273 V N 2.302 122.065 119.914 -0.252 0.000 2.667 273 V HA -0.042 4.190 4.120 0.188 0.000 0.252 273 V C 1.952 178.021 176.094 -0.042 0.000 1.065 273 V CA 2.028 64.267 62.300 -0.100 0.000 1.083 273 V CB -0.704 31.084 31.823 -0.058 0.000 0.692 273 V HN 0.910 nan 8.190 nan 0.000 0.468 274 D N -0.755 119.607 120.400 -0.064 0.000 2.347 274 D HA -0.051 4.701 4.640 0.188 0.000 0.215 274 D C 2.155 178.553 176.300 0.162 0.000 0.976 274 D CA 0.712 54.730 54.000 0.030 0.000 0.884 274 D CB 0.145 40.943 40.800 -0.005 0.000 0.915 274 D HN 0.320 nan 8.370 nan 0.000 0.526 275 S N -1.354 114.398 115.700 0.087 0.000 2.558 275 S HA -0.051 4.531 4.470 0.188 0.000 0.217 275 S C 1.892 176.555 174.600 0.106 0.000 0.975 275 S CA 0.744 59.023 58.200 0.131 0.000 0.912 275 S CB 0.084 63.336 63.200 0.087 0.000 0.776 275 S HN 0.489 nan 8.310 nan 0.000 0.526 276 T N -0.114 114.515 114.554 0.126 0.000 2.915 276 T HA -0.154 4.308 4.350 0.188 0.000 0.269 276 T C 1.640 176.435 174.700 0.158 0.000 1.071 276 T CA 0.889 63.052 62.100 0.105 0.000 1.132 276 T CB -0.753 68.163 68.868 0.081 0.000 0.878 276 T HN 0.716 nan 8.240 nan 0.000 0.479 277 Y N 1.000 121.325 120.300 0.040 0.000 2.529 277 Y HA 0.459 5.118 4.550 0.181 0.000 0.290 277 Y C 1.656 177.613 175.900 0.094 0.000 1.177 277 Y CA -0.492 57.639 58.100 0.051 0.000 1.305 277 Y CB -0.620 37.860 38.460 0.033 0.000 1.047 277 Y HN 0.089 nan 8.280 nan 0.000 0.522 278 L N 0.449 121.445 121.223 -0.377 0.000 2.217 278 L HA -0.049 4.403 4.340 0.188 0.000 0.211 278 L C 0.803 177.692 176.870 0.031 0.000 1.107 278 L CA 0.460 55.170 54.840 -0.217 0.000 0.783 278 L CB -0.824 41.159 42.059 -0.127 0.000 0.919 278 L HN 0.144 nan 8.230 nan 0.000 0.442 279 T N 1.542 116.103 114.554 0.012 0.000 2.750 279 T HA 0.145 4.607 4.350 0.188 0.000 0.277 279 T C 1.138 175.894 174.700 0.093 0.000 0.996 279 T CA 0.770 62.902 62.100 0.054 0.000 1.195 279 T CB 0.070 68.966 68.868 0.046 0.000 0.963 279 T HN 0.598 nan 8.240 nan 0.000 0.516 280 G N 3.255 112.139 108.800 0.140 0.000 2.356 280 G HA2 -0.291 3.782 3.960 0.188 0.000 0.296 280 G HA3 -0.291 3.782 3.960 0.188 0.000 0.296 280 G C 0.015 174.978 174.900 0.106 0.000 1.022 280 G CA 0.018 45.198 45.100 0.134 0.000 0.961 280 G HN 0.742 nan 8.290 nan 0.000 0.510 281 K N 0.112 120.600 120.400 0.146 0.000 2.276 281 K HA 0.315 4.748 4.320 0.188 0.000 0.283 281 K C 1.161 177.688 176.600 -0.120 0.000 1.044 281 K CA -0.610 55.656 56.287 -0.036 0.000 0.944 281 K CB 0.484 32.888 32.500 -0.161 0.000 1.012 281 K HN 0.541 nan 8.250 nan 0.000 0.472 282 R N 1.767 122.198 120.500 -0.114 0.000 2.296 282 R HA 0.208 4.660 4.340 0.188 0.000 0.323 282 R C -0.404 175.792 176.300 -0.174 0.000 1.067 282 R CA -0.654 55.389 56.100 -0.095 0.000 0.946 282 R CB 0.609 30.883 30.300 -0.042 0.000 0.991 282 R HN 0.158 nan 8.270 nan 0.000 0.448 283 V N 5.378 125.183 119.914 -0.182 0.000 2.513 283 V HA 0.443 4.675 4.120 0.188 0.000 0.299 283 V C -1.149 174.892 176.094 -0.088 0.000 1.035 283 V CA -0.998 61.169 62.300 -0.221 0.000 0.889 283 V CB 1.432 33.034 31.823 -0.369 0.000 0.988 283 V HN 0.716 nan 8.190 nan 0.000 0.440 284 F N 7.128 126.972 119.950 -0.178 0.000 2.420 284 F HA 0.690 5.328 4.527 0.185 0.000 0.342 284 F C -0.240 175.492 175.800 -0.113 0.000 1.113 284 F CA -0.567 57.361 58.000 -0.121 0.000 1.059 284 F CB 1.106 40.045 39.000 -0.102 0.000 1.128 284 F HN 0.389 nan 8.300 nan 0.000 0.475 285 I N 7.533 127.885 120.570 -0.364 0.000 2.389 285 I HA 0.364 4.646 4.170 0.188 0.000 0.288 285 I C -1.182 174.958 176.117 0.038 0.000 0.999 285 I CA -0.618 60.608 61.300 -0.124 0.000 1.129 285 I CB 1.644 39.525 38.000 -0.199 0.000 1.288 285 I HN 0.565 nan 8.210 nan 0.000 0.444 286 F N 4.277 124.262 119.950 0.058 0.000 2.599 286 F HA 0.875 5.513 4.527 0.184 0.000 0.311 286 F C 0.243 176.089 175.800 0.077 0.000 1.076 286 F CA 0.053 58.116 58.000 0.104 0.000 0.937 286 F CB 2.324 41.495 39.000 0.284 0.000 1.282 286 F HN 0.586 nan 8.300 nan 0.000 0.460 287 G N 2.552 110.902 108.800 -0.750 0.000 2.350 287 G HA2 0.161 4.234 3.960 0.188 0.000 0.276 287 G HA3 0.161 4.234 3.960 0.188 0.000 0.276 287 G C -2.030 172.490 174.900 -0.634 0.000 1.313 287 G CA -0.521 44.350 45.100 -0.380 0.000 0.903 287 G HN 0.792 nan 8.290 nan 0.000 0.490 288 D N 0.688 120.880 120.400 -0.347 0.000 2.382 288 D HA 0.425 5.177 4.640 0.188 0.000 0.245 288 D C 1.719 177.862 176.300 -0.261 0.000 1.120 288 D CA 0.940 54.648 54.000 -0.486 0.000 0.890 288 D CB 0.929 41.728 40.800 -0.001 0.000 1.201 288 D HN 0.996 nan 8.370 nan 0.000 0.433 289 G N 2.597 111.213 108.800 -0.306 0.000 2.606 289 G HA2 -0.389 3.684 3.960 0.188 0.000 0.221 289 G HA3 -0.389 3.684 3.960 0.188 0.000 0.221 289 G C 1.398 176.248 174.900 -0.083 0.000 1.152 289 G CA 1.566 46.562 45.100 -0.173 0.000 0.765 289 G HN 0.621 nan 8.290 nan 0.000 0.595 290 T N -0.097 114.418 114.554 -0.065 0.000 2.821 290 T HA -0.033 4.430 4.350 0.188 0.000 0.267 290 T C 2.062 176.695 174.700 -0.111 0.000 1.046 290 T CA 1.521 63.559 62.100 -0.104 0.000 1.139 290 T CB -0.243 68.531 68.868 -0.157 0.000 0.871 290 T HN 0.581 nan 8.240 nan 0.000 0.454 291 H N -0.276 118.828 119.070 0.058 0.000 2.502 291 H HA 0.142 4.813 4.556 0.192 0.000 0.283 291 H C 2.078 177.447 175.328 0.067 0.000 1.015 291 H CA 0.528 56.637 56.048 0.103 0.000 1.298 291 H CB 0.064 29.912 29.762 0.144 0.000 1.411 291 H HN 0.158 nan 8.280 nan 0.000 0.556 292 V N 0.320 120.287 119.914 0.087 0.000 2.446 292 V HA -0.139 4.094 4.120 0.188 0.000 0.244 292 V C 2.135 178.237 176.094 0.013 0.000 1.039 292 V CA 1.247 63.554 62.300 0.012 0.000 1.045 292 V CB -0.238 31.537 31.823 -0.081 0.000 0.681 292 V HN 0.390 nan 8.190 nan 0.000 0.459 293 I N 0.778 121.361 120.570 0.021 0.000 2.361 293 I HA -0.196 4.087 4.170 0.188 0.000 0.251 293 I C 2.571 178.744 176.117 0.094 0.000 1.133 293 I CA 1.391 62.723 61.300 0.052 0.000 1.413 293 I CB -0.490 37.539 38.000 0.048 0.000 1.073 293 I HN 0.291 nan 8.210 nan 0.000 0.424 294 A N 0.793 123.673 122.820 0.099 0.000 1.855 294 A HA 0.024 4.457 4.320 0.188 0.000 0.213 294 A C 2.596 180.304 177.584 0.207 0.000 1.195 294 A CA 1.274 53.390 52.037 0.132 0.000 0.610 294 A CB -0.850 18.218 19.000 0.114 0.000 0.837 294 A HN 0.352 nan 8.150 nan 0.000 0.444 295 A N 0.142 123.120 122.820 0.264 0.000 1.917 295 A HA 0.026 4.459 4.320 0.188 0.000 0.219 295 A C 2.474 180.229 177.584 0.285 0.000 1.182 295 A CA 2.490 54.772 52.037 0.409 0.000 0.633 295 A CB -1.044 18.117 19.000 0.268 0.000 0.819 295 A HN 1.112 nan 8.150 nan 0.000 0.448 296 A N -0.680 122.196 122.820 0.094 0.000 1.930 296 A HA -0.116 4.317 4.320 0.188 0.000 0.217 296 A C 2.235 179.897 177.584 0.130 0.000 1.175 296 A CA 1.628 53.622 52.037 -0.073 0.000 0.627 296 A CB -0.455 18.280 19.000 -0.442 0.000 0.815 296 A HN 0.590 nan 8.150 nan 0.000 0.443 297 R N -0.279 120.377 120.500 0.260 0.000 2.075 297 R HA -0.060 4.392 4.340 0.188 0.000 0.232 297 R C 1.864 178.304 176.300 0.233 0.000 1.126 297 R CA 1.609 57.888 56.100 0.298 0.000 0.963 297 R CB -0.385 30.049 30.300 0.222 0.000 0.858 297 R HN 0.509 nan 8.270 nan 0.000 0.435 298 I N 0.993 121.705 120.570 0.236 0.000 2.113 298 I HA -0.267 4.016 4.170 0.188 0.000 0.238 298 I C 2.639 178.915 176.117 0.265 0.000 1.070 298 I CA 1.441 62.872 61.300 0.219 0.000 1.332 298 I CB -0.477 37.644 38.000 0.201 0.000 1.044 298 I HN 0.299 nan 8.210 nan 0.000 0.402 299 A N 0.599 123.663 122.820 0.407 0.000 1.896 299 A HA -0.319 4.114 4.320 0.188 0.000 0.220 299 A C 2.419 180.138 177.584 0.226 0.000 1.206 299 A CA 2.767 55.041 52.037 0.396 0.000 0.647 299 A CB -1.068 18.138 19.000 0.344 0.000 0.828 299 A HN 0.509 nan 8.150 nan 0.000 0.455 300 A N -1.688 121.268 122.820 0.226 0.000 1.943 300 A HA 0.111 4.544 4.320 0.188 0.000 0.213 300 A C 2.045 179.718 177.584 0.148 0.000 1.181 300 A CA 1.360 53.527 52.037 0.216 0.000 0.653 300 A CB -0.077 19.133 19.000 0.349 0.000 0.833 300 A HN 0.494 nan 8.150 nan 0.000 0.451 301 K N -0.971 119.517 120.400 0.147 0.000 2.367 301 K HA 0.159 4.591 4.320 0.188 0.000 0.195 301 K C 1.115 177.754 176.600 0.065 0.000 1.060 301 K CA 0.599 56.944 56.287 0.097 0.000 1.022 301 K CB 0.475 33.035 32.500 0.100 0.000 0.894 301 K HN 0.471 nan 8.250 nan 0.000 0.540 302 E N -0.249 119.990 120.200 0.065 0.000 2.399 302 E HA 0.035 4.498 4.350 0.188 0.000 0.205 302 E C 1.287 177.894 176.600 0.011 0.000 0.906 302 E CA 0.186 56.610 56.400 0.041 0.000 0.998 302 E CB 0.970 30.700 29.700 0.050 0.000 1.002 302 E HN -0.084 nan 8.360 nan 0.000 0.501 303 V N -0.578 119.309 119.914 -0.045 0.000 3.379 303 V HA 0.209 4.441 4.120 0.188 0.000 0.249 303 V C 1.180 177.087 176.094 -0.312 0.000 1.184 303 V CA 0.816 62.990 62.300 -0.210 0.000 1.106 303 V CB 0.947 32.483 31.823 -0.479 0.000 0.826 303 V HN 0.413 nan 8.190 nan 0.000 0.465 304 G N 0.685 109.375 108.800 -0.183 0.000 2.165 304 G HA2 -0.230 3.843 3.960 0.188 0.000 0.226 304 G HA3 -0.230 3.843 3.960 0.188 0.000 0.226 304 G C -0.192 174.706 174.900 -0.004 0.000 1.035 304 G CA -0.197 44.857 45.100 -0.076 0.000 0.744 304 G HN 0.242 nan 8.290 nan 0.000 0.501 305 F N 0.346 120.335 119.950 0.065 0.000 2.378 305 F HA 0.559 5.195 4.527 0.181 0.000 0.319 305 F C 0.982 176.803 175.800 0.035 0.000 1.155 305 F CA -1.504 56.514 58.000 0.029 0.000 1.157 305 F CB 0.855 39.866 39.000 0.019 0.000 1.252 305 F HN 0.193 nan 8.300 nan 0.000 0.550 306 E N 1.018 121.357 120.200 0.232 0.000 2.081 306 E HA 0.387 4.850 4.350 0.188 0.000 0.281 306 E C -1.373 175.269 176.600 0.070 0.000 0.986 306 E CA -0.470 56.007 56.400 0.129 0.000 0.796 306 E CB 0.871 30.620 29.700 0.082 0.000 1.085 306 E HN 0.370 nan 8.360 nan 0.000 0.398 307 V N 5.828 125.771 119.914 0.048 0.000 2.446 307 V HA -0.031 4.201 4.120 0.188 0.000 0.276 307 V C 0.843 176.892 176.094 -0.076 0.000 1.030 307 V CA 0.133 62.388 62.300 -0.075 0.000 1.033 307 V CB 1.064 32.742 31.823 -0.241 0.000 0.993 307 V HN 0.698 nan 8.190 nan 0.000 0.477 308 V N 4.488 124.345 119.914 -0.094 0.000 3.643 308 V HA 0.588 4.821 4.120 0.188 0.000 0.280 308 V C 0.815 176.843 176.094 -0.110 0.000 1.351 308 V CA 1.108 63.376 62.300 -0.055 0.000 1.073 308 V CB 0.313 32.134 31.823 -0.004 0.000 0.863 308 V HN 0.926 nan 8.190 nan 0.000 0.436 309 G N 0.080 108.693 108.800 -0.312 0.000 2.703 309 G HA2 0.609 4.682 3.960 0.188 0.000 0.294 309 G HA3 0.609 4.682 3.960 0.188 0.000 0.294 309 G C -1.569 172.860 174.900 -0.785 0.000 1.451 309 G CA -0.496 44.236 45.100 -0.613 0.000 0.869 309 G HN 0.050 nan 8.290 nan 0.000 0.516 310 M N 0.896 120.142 119.600 -0.590 0.000 2.294 310 M HA 0.599 5.192 4.480 0.188 0.000 0.280 310 M C -0.497 175.704 176.300 -0.165 0.000 1.085 310 M CA -0.112 54.965 55.300 -0.371 0.000 0.969 310 M CB 2.197 34.637 32.600 -0.267 0.000 1.770 310 M HN 1.291 nan 8.290 nan 0.000 0.485 311 G N 1.831 110.621 108.800 -0.017 0.000 2.559 311 G HA2 0.739 4.812 3.960 0.188 0.000 0.291 311 G HA3 0.739 4.812 3.960 0.188 0.000 0.291 311 G C -1.895 173.023 174.900 0.030 0.000 1.424 311 G CA -0.384 44.818 45.100 0.169 0.000 0.786 311 G HN 1.220 nan 8.290 nan 0.000 0.485 312 C N -1.548 117.715 119.300 -0.062 0.000 3.288 312 C HA 0.759 5.332 4.460 0.188 0.000 0.318 312 C C 0.710 175.495 174.990 -0.342 0.000 1.356 312 C CA -0.678 57.991 59.018 -0.583 0.000 1.359 312 C CB 0.437 27.878 27.740 -0.498 0.000 1.688 312 C HN 1.290 nan 8.230 nan 0.000 0.467 313 Y N 0.688 120.724 120.300 -0.440 0.000 2.497 313 Y HA 0.323 4.984 4.550 0.185 0.000 0.265 313 Y C 0.720 176.582 175.900 -0.062 0.000 1.111 313 Y CA 0.098 58.072 58.100 -0.211 0.000 1.288 313 Y CB -0.360 37.809 38.460 -0.485 0.000 1.082 313 Y HN 0.701 nan 8.280 nan 0.000 0.536 314 N N 2.063 120.610 118.700 -0.255 0.000 2.420 314 N HA 0.104 4.957 4.740 0.188 0.000 0.249 314 N C 0.316 175.811 175.510 -0.025 0.000 1.033 314 N CA -0.439 52.585 53.050 -0.044 0.000 0.944 314 N CB 1.104 39.542 38.487 -0.082 0.000 1.113 314 N HN 0.143 nan 8.380 nan 0.000 0.502 315 R N 2.348 122.875 120.500 0.045 0.000 2.119 315 R HA -0.178 4.274 4.340 0.188 0.000 0.246 315 R C 0.946 177.265 176.300 0.033 0.000 1.146 315 R CA 1.451 57.576 56.100 0.042 0.000 0.962 315 R CB -0.633 29.700 30.300 0.055 0.000 0.863 315 R HN 0.631 nan 8.270 nan 0.000 0.442 316 E N -0.115 120.114 120.200 0.047 0.000 2.233 316 E HA -0.126 4.337 4.350 0.188 0.000 0.199 316 E C 1.390 178.014 176.600 0.040 0.000 1.004 316 E CA 1.062 57.498 56.400 0.060 0.000 0.819 316 E CB -0.036 29.719 29.700 0.092 0.000 0.738 316 E HN 0.140 nan 8.360 nan 0.000 0.478 317 M N -1.040 118.564 119.600 0.007 0.000 2.404 317 M HA 0.311 4.904 4.480 0.188 0.000 0.271 317 M C 1.442 177.738 176.300 -0.007 0.000 1.128 317 M CA 0.060 55.357 55.300 -0.004 0.000 0.982 317 M CB 0.180 32.755 32.600 -0.042 0.000 1.445 317 M HN 0.116 nan 8.290 nan 0.000 0.495 318 A N 1.593 124.415 122.820 0.003 0.000 1.978 318 A HA -0.190 4.243 4.320 0.188 0.000 0.220 318 A C 2.292 179.886 177.584 0.017 0.000 1.170 318 A CA 1.652 53.694 52.037 0.008 0.000 0.636 318 A CB -0.424 18.588 19.000 0.020 0.000 0.810 318 A HN 0.622 nan 8.150 nan 0.000 0.448 319 R N -1.029 119.486 120.500 0.024 0.000 2.066 319 R HA 0.016 4.469 4.340 0.188 0.000 0.224 319 R C -0.982 175.336 176.300 0.030 0.000 1.122 319 R CA 1.021 57.139 56.100 0.029 0.000 0.974 319 R CB -1.967 28.353 30.300 0.033 0.000 0.871 319 R HN 0.290 nan 8.270 nan 0.000 0.435 320 P HA -0.162 nan 4.420 nan 0.000 0.216 320 P C 1.526 178.845 177.300 0.032 0.000 1.150 320 P CA 0.963 64.084 63.100 0.033 0.000 0.843 320 P CB -0.023 31.697 31.700 0.033 0.000 0.787 321 L N -0.654 120.580 121.223 0.019 0.000 1.988 321 L HA -0.101 4.351 4.340 0.188 0.000 0.207 321 L C 2.487 179.377 176.870 0.032 0.000 1.071 321 L CA 1.831 56.680 54.840 0.016 0.000 0.744 321 L CB -0.811 41.240 42.059 -0.013 0.000 0.893 321 L HN -0.236 nan 8.230 nan 0.000 0.433 322 R N -1.305 119.212 120.500 0.028 0.000 2.103 322 R HA -0.185 4.268 4.340 0.188 0.000 0.242 322 R C 2.044 178.370 176.300 0.043 0.000 1.142 322 R CA 1.989 58.109 56.100 0.034 0.000 0.960 322 R CB -0.869 29.448 30.300 0.029 0.000 0.858 322 R HN 0.452 nan 8.270 nan 0.000 0.439 323 T N 0.800 115.379 114.554 0.041 0.000 2.569 323 T HA -0.208 4.255 4.350 0.188 0.000 0.263 323 T C 1.955 176.691 174.700 0.059 0.000 1.074 323 T CA 1.631 63.756 62.100 0.041 0.000 1.176 323 T CB -0.501 68.389 68.868 0.036 0.000 0.863 323 T HN 0.423 nan 8.240 nan 0.000 0.410 324 A N 1.701 124.570 122.820 0.081 0.000 1.873 324 A HA -0.027 4.405 4.320 0.188 0.000 0.218 324 A C 2.688 180.418 177.584 0.243 0.000 1.193 324 A CA 2.460 54.585 52.037 0.145 0.000 0.629 324 A CB -1.411 17.694 19.000 0.174 0.000 0.826 324 A HN 0.566 nan 8.150 nan 0.000 0.447 325 A N -0.217 122.716 122.820 0.188 0.000 1.903 325 A HA 0.005 4.438 4.320 0.188 0.000 0.219 325 A C 2.565 180.266 177.584 0.194 0.000 1.191 325 A CA 2.823 54.974 52.037 0.189 0.000 0.638 325 A CB -1.274 17.765 19.000 0.064 0.000 0.823 325 A HN 1.322 nan 8.150 nan 0.000 0.451 326 A N -0.295 122.590 122.820 0.109 0.000 1.892 326 A HA -0.270 4.162 4.320 0.188 0.000 0.218 326 A C 1.832 179.446 177.584 0.051 0.000 1.188 326 A CA 1.906 53.984 52.037 0.068 0.000 0.631 326 A CB -0.797 18.227 19.000 0.039 0.000 0.822 326 A HN 0.666 nan 8.150 nan 0.000 0.447 327 E N -1.796 118.410 120.200 0.010 0.000 2.339 327 E HA -0.228 4.235 4.350 0.188 0.000 0.201 327 E C 0.629 177.098 176.600 -0.219 0.000 1.015 327 E CA 1.384 57.703 56.400 -0.136 0.000 0.841 327 E CB -0.262 29.287 29.700 -0.251 0.000 0.754 327 E HN 0.888 nan 8.360 nan 0.000 0.508 328 Y N -0.817 119.487 120.300 0.007 0.000 2.555 328 Y HA 0.273 4.937 4.550 0.190 0.000 0.259 328 Y C 1.284 177.186 175.900 0.004 0.000 1.179 328 Y CA 0.097 58.202 58.100 0.008 0.000 1.230 328 Y CB 1.085 39.547 38.460 0.003 0.000 1.146 328 Y HN 0.004 nan 8.280 nan 0.000 0.526 329 G N 0.984 109.852 108.800 0.113 0.000 2.221 329 G HA2 -0.250 3.822 3.960 0.188 0.000 0.265 329 G HA3 -0.250 3.822 3.960 0.188 0.000 0.265 329 G C -0.769 174.173 174.900 0.069 0.000 1.041 329 G CA -0.052 45.091 45.100 0.072 0.000 0.807 329 G HN 0.146 nan 8.290 nan 0.000 0.502 330 L N -0.452 120.819 121.223 0.080 0.000 2.388 330 L HA 0.618 5.071 4.340 0.188 0.000 0.264 330 L C -0.073 176.819 176.870 0.037 0.000 0.998 330 L CA -1.436 53.433 54.840 0.048 0.000 0.817 330 L CB 1.998 44.076 42.059 0.032 0.000 1.338 330 L HN 0.254 nan 8.230 nan 0.000 0.414 331 E N 1.938 122.150 120.200 0.020 0.000 2.081 331 E HA 0.551 5.014 4.350 0.188 0.000 0.281 331 E C -0.529 176.077 176.600 0.011 0.000 0.986 331 E CA -0.577 55.836 56.400 0.021 0.000 0.796 331 E CB 1.372 31.085 29.700 0.022 0.000 1.085 331 E HN 0.745 nan 8.360 nan 0.000 0.398 332 A N 4.582 127.411 122.820 0.016 0.000 2.536 332 A HA 0.034 4.466 4.320 0.188 0.000 0.234 332 A C -0.135 177.468 177.584 0.031 0.000 1.076 332 A CA 0.029 52.073 52.037 0.011 0.000 0.769 332 A CB 0.359 19.369 19.000 0.018 0.000 1.020 332 A HN 0.663 nan 8.150 nan 0.000 0.508 333 L N 3.532 124.789 121.223 0.056 0.000 2.366 333 L HA 0.368 4.820 4.340 0.188 0.000 0.266 333 L C -1.318 175.643 176.870 0.153 0.000 1.010 333 L CA -0.574 54.325 54.840 0.098 0.000 0.879 333 L CB 0.584 42.717 42.059 0.123 0.000 1.228 333 L HN 0.509 nan 8.230 nan 0.000 0.439 334 I N 3.935 124.573 120.570 0.112 0.000 2.297 334 I HA 0.409 4.691 4.170 0.188 0.000 0.291 334 I C 0.343 176.543 176.117 0.139 0.000 1.033 334 I CA -0.022 61.351 61.300 0.121 0.000 1.253 334 I CB 0.842 38.884 38.000 0.070 0.000 1.396 334 I HN 0.502 nan 8.210 nan 0.000 0.476 335 T N 3.841 118.520 114.554 0.209 0.000 3.012 335 T HA 0.286 4.748 4.350 0.188 0.000 0.330 335 T C 0.024 174.893 174.700 0.282 0.000 1.321 335 T CA -0.518 61.701 62.100 0.198 0.000 1.067 335 T CB 1.466 70.416 68.868 0.136 0.000 1.235 335 T HN 0.692 nan 8.240 nan 0.000 0.479 336 D N 1.627 122.186 120.400 0.264 0.000 2.407 336 D HA 0.152 4.905 4.640 0.188 0.000 0.208 336 D C 0.250 176.850 176.300 0.499 0.000 1.083 336 D CA -0.102 54.126 54.000 0.381 0.000 0.844 336 D CB 0.176 41.173 40.800 0.328 0.000 0.967 336 D HN 0.392 nan 8.370 nan 0.000 0.506 337 D N 0.464 121.047 120.400 0.305 0.000 2.358 337 D HA -0.062 4.690 4.640 0.188 0.000 0.258 337 D C 0.890 177.347 176.300 0.262 0.000 1.223 337 D CA -0.360 53.770 54.000 0.217 0.000 0.886 337 D CB 0.355 41.186 40.800 0.053 0.000 1.120 337 D HN 0.282 nan 8.370 nan 0.000 0.482 338 Y N 3.390 123.882 120.300 0.321 0.000 2.352 338 Y HA -0.002 4.663 4.550 0.191 0.000 0.292 338 Y C 1.642 177.541 175.900 -0.002 0.000 1.136 338 Y CA 0.643 58.851 58.100 0.179 0.000 1.227 338 Y CB -0.431 38.037 38.460 0.012 0.000 0.991 338 Y HN 0.371 nan 8.280 nan 0.000 0.545 339 L N 0.287 121.072 121.223 -0.730 0.000 2.191 339 L HA -0.153 4.299 4.340 0.188 0.000 0.212 339 L C 2.515 179.243 176.870 -0.235 0.000 1.103 339 L CA 1.724 56.241 54.840 -0.539 0.000 0.769 339 L CB -0.404 41.336 42.059 -0.533 0.000 0.908 339 L HN 0.274 nan 8.230 nan 0.000 0.438 340 E N 0.023 120.125 120.200 -0.165 0.000 2.047 340 E HA -0.163 4.300 4.350 0.188 0.000 0.191 340 E C 2.143 178.657 176.600 -0.144 0.000 0.987 340 E CA 1.170 57.505 56.400 -0.108 0.000 0.799 340 E CB -0.044 29.624 29.700 -0.053 0.000 0.752 340 E HN 0.159 nan 8.360 nan 0.000 0.449 341 V N 1.073 120.868 119.914 -0.198 0.000 2.332 341 V HA -0.284 3.949 4.120 0.188 0.000 0.248 341 V C 2.391 178.288 176.094 -0.328 0.000 1.055 341 V CA 2.291 64.378 62.300 -0.356 0.000 1.038 341 V CB -0.590 30.935 31.823 -0.498 0.000 0.651 341 V HN 0.374 nan 8.190 nan 0.000 0.450 342 E N -0.035 120.043 120.200 -0.203 0.000 2.085 342 E HA -0.279 4.184 4.350 0.188 0.000 0.194 342 E C 2.328 178.815 176.600 -0.187 0.000 0.994 342 E CA 1.534 57.825 56.400 -0.182 0.000 0.801 342 E CB -0.036 29.613 29.700 -0.084 0.000 0.743 342 E HN 0.556 nan 8.360 nan 0.000 0.453 343 K N -0.126 120.184 120.400 -0.151 0.000 2.026 343 K HA -0.132 4.301 4.320 0.188 0.000 0.208 343 K C 2.067 178.603 176.600 -0.107 0.000 1.048 343 K CA 1.140 57.360 56.287 -0.112 0.000 0.929 343 K CB -0.145 32.305 32.500 -0.084 0.000 0.713 343 K HN 0.112 nan 8.250 nan 0.000 0.439 344 A N 1.234 123.986 122.820 -0.112 0.000 1.883 344 A HA -0.185 4.248 4.320 0.188 0.000 0.217 344 A C 2.103 179.618 177.584 -0.114 0.000 1.186 344 A CA 1.509 53.532 52.037 -0.023 0.000 0.624 344 A CB -0.677 18.393 19.000 0.117 0.000 0.822 344 A HN 0.231 nan 8.150 nan 0.000 0.444 345 I N -0.765 119.504 120.570 -0.501 0.000 2.226 345 I HA -0.252 4.031 4.170 0.188 0.000 0.245 345 I C 2.589 178.553 176.117 -0.254 0.000 1.100 345 I CA 1.556 62.476 61.300 -0.634 0.000 1.374 345 I CB -0.405 37.123 38.000 -0.787 0.000 1.057 345 I HN 0.453 nan 8.210 nan 0.000 0.413 346 E N 0.827 120.912 120.200 -0.191 0.000 2.077 346 E HA -0.237 4.226 4.350 0.188 0.000 0.193 346 E C 2.324 178.886 176.600 -0.064 0.000 0.989 346 E CA 1.321 57.654 56.400 -0.112 0.000 0.800 346 E CB -0.060 29.581 29.700 -0.098 0.000 0.746 346 E HN 0.512 nan 8.360 nan 0.000 0.452 347 A N 1.452 124.245 122.820 -0.045 0.000 1.845 347 A HA -0.161 4.271 4.320 0.188 0.000 0.215 347 A C 2.410 180.005 177.584 0.018 0.000 1.195 347 A CA 1.999 54.032 52.037 -0.007 0.000 0.616 347 A CB -0.870 18.136 19.000 0.010 0.000 0.832 347 A HN 0.332 nan 8.150 nan 0.000 0.443 348 A N -1.135 121.721 122.820 0.060 0.000 1.978 348 A HA 0.273 4.706 4.320 0.188 0.000 0.220 348 A C 1.709 179.320 177.584 0.045 0.000 1.170 348 A CA 1.821 53.915 52.037 0.096 0.000 0.636 348 A CB -1.170 17.987 19.000 0.260 0.000 0.810 348 A HN 2.278 nan 8.150 nan 0.000 0.448 349 A N -1.455 121.367 122.820 0.003 0.000 2.610 349 A HA -0.079 4.354 4.320 0.188 0.000 0.299 349 A C -1.442 176.131 177.584 -0.020 0.000 1.487 349 A CA 0.547 52.571 52.037 -0.022 0.000 0.743 349 A CB -2.172 16.817 19.000 -0.017 0.000 1.070 349 A HN 0.561 nan 8.150 nan 0.000 0.439 350 P HA 0.335 nan 4.420 nan 0.000 0.276 350 P C 0.472 177.728 177.300 -0.074 0.000 1.261 350 P CA -0.157 62.925 63.100 -0.029 0.000 0.800 350 P CB 0.624 32.332 31.700 0.014 0.000 1.066 351 E N -0.982 119.152 120.200 -0.110 0.000 2.452 351 E HA 0.185 4.648 4.350 0.188 0.000 0.197 351 E C -0.093 176.403 176.600 -0.173 0.000 1.022 351 E CA 0.073 56.396 56.400 -0.129 0.000 0.890 351 E CB 0.216 29.838 29.700 -0.130 0.000 0.918 351 E HN 0.144 nan 8.360 nan 0.000 0.496 352 L N 0.656 121.751 121.223 -0.214 0.000 2.526 352 L HA 0.438 4.891 4.340 0.188 0.000 0.263 352 L C -1.793 174.960 176.870 -0.196 0.000 0.943 352 L CA -0.529 54.163 54.840 -0.246 0.000 0.859 352 L CB 1.623 43.438 42.059 -0.408 0.000 1.313 352 L HN -0.156 nan 8.230 nan 0.000 0.406 353 I N 5.189 125.667 120.570 -0.153 0.000 2.460 353 I HA 0.505 4.788 4.170 0.188 0.000 0.298 353 I C -0.876 175.154 176.117 -0.145 0.000 0.989 353 I CA -0.636 60.611 61.300 -0.089 0.000 1.173 353 I CB 1.727 39.676 38.000 -0.084 0.000 1.338 353 I HN 0.466 nan 8.210 nan 0.000 0.456 354 L N 5.537 126.687 121.223 -0.121 0.000 2.404 354 L HA 0.763 5.216 4.340 0.188 0.000 0.272 354 L C 0.164 177.018 176.870 -0.028 0.000 0.980 354 L CA -0.123 54.598 54.840 -0.197 0.000 0.836 354 L CB 1.586 43.387 42.059 -0.430 0.000 1.238 354 L HN 0.857 nan 8.230 nan 0.000 0.408 355 G N 1.266 110.069 108.800 0.005 0.000 2.791 355 G HA2 0.535 4.607 3.960 0.188 0.000 0.158 355 G HA3 0.535 4.607 3.960 0.188 0.000 0.158 355 G C -0.672 174.257 174.900 0.048 0.000 1.193 355 G CA 0.429 45.590 45.100 0.103 0.000 1.032 355 G HN 0.459 nan 8.290 nan 0.000 0.557 356 T N -2.608 112.017 114.554 0.118 0.000 2.841 356 T HA 0.462 4.925 4.350 0.188 0.000 0.276 356 T C 1.145 175.843 174.700 -0.003 0.000 1.003 356 T CA 0.263 62.405 62.100 0.070 0.000 0.995 356 T CB 1.700 70.709 68.868 0.235 0.000 1.260 356 T HN 0.369 nan 8.240 nan 0.000 0.581 357 Q N -0.429 119.362 119.800 -0.014 0.000 2.197 357 Q HA -0.119 4.334 4.340 0.188 0.000 0.207 357 Q C 2.011 177.823 176.000 -0.314 0.000 0.984 357 Q CA 2.216 57.962 55.803 -0.094 0.000 0.869 357 Q CB -0.752 27.981 28.738 -0.007 0.000 0.906 357 Q HN 0.741 nan 8.270 nan 0.000 0.426 358 M N -0.096 119.191 119.600 -0.521 0.000 2.099 358 M HA -0.099 4.494 4.480 0.188 0.000 0.262 358 M C 1.332 177.384 176.300 -0.413 0.000 1.067 358 M CA 1.794 56.594 55.300 -0.834 0.000 1.124 358 M CB -0.207 31.611 32.600 -1.303 0.000 1.353 358 M HN 0.083 nan 8.290 nan 0.000 0.410 359 E N -0.224 119.876 120.200 -0.166 0.000 2.110 359 E HA -0.115 4.348 4.350 0.188 0.000 0.193 359 E C 2.172 178.695 176.600 -0.129 0.000 0.988 359 E CA 0.956 57.299 56.400 -0.095 0.000 0.804 359 E CB -0.400 29.325 29.700 0.041 0.000 0.745 359 E HN 0.350 nan 8.360 nan 0.000 0.458 360 R N 0.614 121.043 120.500 -0.119 0.000 2.103 360 R HA -0.134 4.319 4.340 0.188 0.000 0.242 360 R C 2.027 178.240 176.300 -0.145 0.000 1.142 360 R CA 1.180 57.216 56.100 -0.107 0.000 0.960 360 R CB -0.510 29.743 30.300 -0.079 0.000 0.858 360 R HN 0.302 nan 8.270 nan 0.000 0.439 361 N N 0.622 119.194 118.700 -0.214 0.000 2.171 361 N HA -0.088 4.765 4.740 0.188 0.000 0.184 361 N C 2.001 177.386 175.510 -0.208 0.000 1.021 361 N CA 0.852 53.763 53.050 -0.233 0.000 0.854 361 N CB 0.020 38.311 38.487 -0.327 0.000 0.994 361 N HN 0.147 nan 8.380 nan 0.000 0.426 362 I N 1.419 121.856 120.570 -0.223 0.000 2.208 362 I HA -0.255 4.027 4.170 0.188 0.000 0.245 362 I C 2.497 178.523 176.117 -0.151 0.000 1.097 362 I CA 1.146 62.338 61.300 -0.180 0.000 1.363 362 I CB -0.278 37.612 38.000 -0.183 0.000 1.051 362 I HN 0.122 nan 8.210 nan 0.000 0.413 363 A N 0.479 123.212 122.820 -0.146 0.000 1.902 363 A HA -0.203 4.230 4.320 0.188 0.000 0.217 363 A C 2.363 179.884 177.584 -0.106 0.000 1.181 363 A CA 1.459 53.422 52.037 -0.124 0.000 0.623 363 A CB -0.400 18.533 19.000 -0.111 0.000 0.818 363 A HN 0.263 nan 8.150 nan 0.000 0.443 364 K N -0.090 120.247 120.400 -0.106 0.000 2.009 364 K HA -0.167 4.265 4.320 0.188 0.000 0.210 364 K C 2.056 178.604 176.600 -0.087 0.000 1.049 364 K CA 1.772 58.005 56.287 -0.090 0.000 0.929 364 K CB -0.285 32.158 32.500 -0.095 0.000 0.714 364 K HN 0.443 nan 8.250 nan 0.000 0.440 365 K N 0.632 120.973 120.400 -0.099 0.000 2.113 365 K HA -0.116 4.317 4.320 0.188 0.000 0.208 365 K C 1.875 178.428 176.600 -0.079 0.000 1.047 365 K CA 1.127 57.361 56.287 -0.088 0.000 0.928 365 K CB -0.057 32.386 32.500 -0.095 0.000 0.716 365 K HN 0.116 nan 8.250 nan 0.000 0.446 366 L N -0.444 120.727 121.223 -0.088 0.000 2.607 366 L HA 0.167 4.620 4.340 0.188 0.000 0.228 366 L C 0.666 177.493 176.870 -0.071 0.000 1.123 366 L CA -0.067 54.724 54.840 -0.082 0.000 0.890 366 L CB 0.328 42.328 42.059 -0.098 0.000 1.103 366 L HN 0.331 nan 8.230 nan 0.000 0.468 367 G N 1.536 110.296 108.800 -0.068 0.000 2.314 367 G HA2 -0.269 3.804 3.960 0.188 0.000 0.292 367 G HA3 -0.269 3.804 3.960 0.188 0.000 0.292 367 G C -0.235 174.630 174.900 -0.058 0.000 1.059 367 G CA 0.105 45.170 45.100 -0.057 0.000 0.982 367 G HN 0.265 nan 8.290 nan 0.000 0.505 368 L N -0.446 120.734 121.223 -0.072 0.000 2.362 368 L HA 0.526 4.979 4.340 0.188 0.000 0.271 368 L C -1.888 174.934 176.870 -0.080 0.000 1.002 368 L CA -2.619 52.174 54.840 -0.078 0.000 0.818 368 L CB 1.979 43.980 42.059 -0.096 0.000 1.298 368 L HN -0.119 nan 8.230 nan 0.000 0.420 369 P HA 0.033 nan 4.420 nan 0.000 0.269 369 P C -0.857 176.387 177.300 -0.094 0.000 1.211 369 P CA -0.300 62.752 63.100 -0.079 0.000 0.781 369 P CB 0.581 32.230 31.700 -0.086 0.000 0.877 370 C N 1.493 120.748 119.300 -0.075 0.000 3.241 370 C HA 0.798 5.371 4.460 0.188 0.000 0.348 370 C C -1.422 173.541 174.990 -0.044 0.000 1.180 370 C CA -0.056 58.913 59.018 -0.082 0.000 1.273 370 C CB 0.651 28.346 27.740 -0.075 0.000 1.620 370 C HN 0.756 nan 8.230 nan 0.000 0.510 371 A N 3.456 126.232 122.820 -0.074 0.000 2.423 371 A HA 0.845 5.277 4.320 0.188 0.000 0.304 371 A C -1.192 176.391 177.584 -0.003 0.000 1.104 371 A CA -0.468 51.572 52.037 0.004 0.000 0.757 371 A CB 1.545 20.581 19.000 0.060 0.000 1.313 371 A HN 1.360 nan 8.150 nan 0.000 0.423 372 V N 2.001 121.964 119.914 0.082 0.000 2.406 372 V HA 0.293 4.526 4.120 0.188 0.000 0.272 372 V C 0.587 176.740 176.094 0.099 0.000 1.043 372 V CA 0.418 62.744 62.300 0.043 0.000 0.915 372 V CB 0.799 32.651 31.823 0.048 0.000 0.988 372 V HN 0.785 nan 8.190 nan 0.000 0.466 373 I N 1.985 122.539 120.570 -0.027 0.000 4.240 373 I HA 0.563 4.846 4.170 0.188 0.000 0.331 373 I C 0.354 176.283 176.117 -0.313 0.000 1.381 373 I CA 0.160 61.507 61.300 0.078 0.000 1.136 373 I CB 0.784 38.904 38.000 0.201 0.000 1.137 373 I HN 0.461 nan 8.210 nan 0.000 0.411 374 S N 0.874 116.106 115.700 -0.781 0.000 2.558 374 S HA 0.759 5.342 4.470 0.188 0.000 0.277 374 S C -0.499 173.686 174.600 -0.692 0.000 1.143 374 S CA -0.201 57.501 58.200 -0.831 0.000 0.865 374 S CB 1.353 64.397 63.200 -0.259 0.000 1.102 374 S HN 0.475 nan 8.310 nan 0.000 0.454 375 A N 4.092 126.649 122.820 -0.439 0.000 2.507 375 A HA 0.514 4.946 4.320 0.188 0.000 0.235 375 A C -2.358 175.282 177.584 0.093 0.000 1.070 375 A CA -0.522 51.467 52.037 -0.080 0.000 0.768 375 A CB -0.523 18.522 19.000 0.076 0.000 1.011 375 A HN 0.582 nan 8.150 nan 0.000 0.502 376 P HA 0.396 nan 4.420 nan 0.000 0.275 376 P C -0.777 176.586 177.300 0.105 0.000 1.228 376 P CA -0.045 63.097 63.100 0.070 0.000 0.786 376 P CB 1.366 33.093 31.700 0.045 0.000 0.927 377 V N 2.664 122.650 119.914 0.121 0.000 3.012 377 V HA 0.307 4.540 4.120 0.188 0.000 0.307 377 V C -0.105 176.114 176.094 0.208 0.000 1.166 377 V CA -0.699 61.702 62.300 0.168 0.000 0.974 377 V CB 2.079 34.001 31.823 0.166 0.000 1.040 377 V HN 0.855 nan 8.190 nan 0.000 0.428 378 H N 3.451 122.577 119.070 0.094 0.000 2.437 378 H HA 0.365 5.027 4.556 0.177 0.000 0.338 378 H C 1.202 176.584 175.328 0.090 0.000 1.495 378 H CA 0.368 56.448 56.048 0.053 0.000 1.453 378 H CB 1.321 31.101 29.762 0.030 0.000 1.707 378 H HN 0.400 nan 8.280 nan 0.000 0.655 379 V N 0.587 120.331 119.914 -0.285 0.000 2.370 379 V HA -0.331 3.901 4.120 0.188 0.000 0.252 379 V C 2.683 178.628 176.094 -0.248 0.000 1.068 379 V CA 2.696 64.856 62.300 -0.233 0.000 1.061 379 V CB -0.828 30.915 31.823 -0.133 0.000 0.656 379 V HN 0.805 nan 8.190 nan 0.000 0.455 380 Q N 0.085 119.504 119.800 -0.636 0.000 2.224 380 Q HA -0.248 4.204 4.340 0.188 0.000 0.213 380 Q C 1.650 177.624 176.000 -0.044 0.000 0.998 380 Q CA 2.514 58.132 55.803 -0.308 0.000 0.895 380 Q CB -0.387 28.153 28.738 -0.330 0.000 0.926 380 Q HN 0.732 nan 8.270 nan 0.000 0.417 381 D N -1.564 118.875 120.400 0.065 0.000 2.368 381 D HA 0.045 4.797 4.640 0.188 0.000 0.218 381 D C -0.750 175.651 176.300 0.168 0.000 1.112 381 D CA 0.026 54.144 54.000 0.196 0.000 0.834 381 D CB 0.220 41.245 40.800 0.374 0.000 0.953 381 D HN 0.129 nan 8.370 nan 0.000 0.505 382 F N 2.569 122.500 119.950 -0.032 0.000 2.371 382 F HA 0.278 4.915 4.527 0.184 0.000 0.343 382 F C -1.864 173.906 175.800 -0.049 0.000 1.150 382 F CA -2.227 55.746 58.000 -0.045 0.000 1.220 382 F CB 0.884 39.860 39.000 -0.040 0.000 1.475 382 F HN -0.177 nan 8.300 nan 0.000 0.521 383 P HA 0.256 nan 4.420 nan 0.000 0.276 383 P C 0.329 177.640 177.300 0.019 0.000 1.252 383 P CA -0.163 62.942 63.100 0.008 0.000 0.802 383 P CB 1.598 33.278 31.700 -0.033 0.000 1.035 384 A N 1.951 124.787 122.820 0.027 0.000 1.970 384 A HA -0.041 4.391 4.320 0.188 0.000 0.216 384 A C 1.307 178.913 177.584 0.038 0.000 1.170 384 A CA 0.720 52.777 52.037 0.034 0.000 0.645 384 A CB -0.639 18.381 19.000 0.033 0.000 0.816 384 A HN 0.711 nan 8.150 nan 0.000 0.447 385 R N -1.756 118.762 120.500 0.030 0.000 2.707 385 R HA 0.279 4.732 4.340 0.188 0.000 0.270 385 R C -0.348 175.991 176.300 0.065 0.000 1.083 385 R CA -0.445 55.685 56.100 0.049 0.000 1.182 385 R CB 0.005 30.326 30.300 0.034 0.000 1.084 385 R HN 0.282 nan 8.270 nan 0.000 0.528 386 Y N 0.906 121.185 120.300 -0.035 0.000 2.465 386 Y HA 0.323 4.986 4.550 0.189 0.000 0.331 386 Y C -0.459 175.405 175.900 -0.061 0.000 1.102 386 Y CA 0.416 58.488 58.100 -0.046 0.000 1.358 386 Y CB 0.709 39.147 38.460 -0.038 0.000 1.213 386 Y HN 0.795 nan 8.280 nan 0.000 0.525 387 A N 8.822 131.338 122.820 -0.508 0.000 3.422 387 A HA 0.331 4.763 4.320 0.188 0.000 0.271 387 A C -2.934 174.349 177.584 -0.502 0.000 1.104 387 A CA -1.124 50.666 52.037 -0.411 0.000 0.899 387 A CB -0.112 18.745 19.000 -0.239 0.000 1.309 387 A HN 0.549 nan 8.150 nan 0.000 0.580 388 P HA 0.225 nan 4.420 nan 0.000 0.277 388 P C -0.104 177.027 177.300 -0.281 0.000 1.276 388 P CA 0.131 62.960 63.100 -0.451 0.000 0.788 388 P CB 1.092 32.530 31.700 -0.437 0.000 1.114 389 Q N -1.022 118.664 119.800 -0.190 0.000 2.471 389 Q HA 0.218 4.671 4.340 0.188 0.000 0.241 389 Q C 1.064 177.018 176.000 -0.077 0.000 0.886 389 Q CA 0.686 56.435 55.803 -0.091 0.000 0.953 389 Q CB 0.108 28.861 28.738 0.024 0.000 1.108 389 Q HN 0.516 nan 8.270 nan 0.000 0.575 390 M N 0.265 119.801 119.600 -0.106 0.000 2.202 390 M HA 0.353 4.946 4.480 0.188 0.000 0.316 390 M C 0.983 177.205 176.300 -0.130 0.000 1.138 390 M CA 0.631 55.848 55.300 -0.139 0.000 1.151 390 M CB 0.245 32.715 32.600 -0.218 0.000 1.422 390 M HN 0.333 nan 8.290 nan 0.000 0.471 391 G N 0.436 109.140 108.800 -0.160 0.000 2.645 391 G HA2 -0.252 3.821 3.960 0.188 0.000 0.246 391 G HA3 -0.252 3.821 3.960 0.188 0.000 0.246 391 G C -0.136 174.762 174.900 -0.004 0.000 1.322 391 G CA -0.117 44.863 45.100 -0.201 0.000 0.898 391 G HN 0.601 nan 8.290 nan 0.000 0.573 392 F N 0.525 120.464 119.950 -0.020 0.000 2.074 392 F HA 0.122 4.760 4.527 0.185 0.000 0.293 392 F C 2.683 178.458 175.800 -0.042 0.000 1.116 392 F CA 1.878 59.862 58.000 -0.027 0.000 1.212 392 F CB -1.103 37.890 39.000 -0.013 0.000 0.998 392 F HN 0.621 nan 8.300 nan 0.000 0.471 393 E N 0.456 120.765 120.200 0.182 0.000 2.160 393 E HA -0.106 4.357 4.350 0.188 0.000 0.195 393 E C 2.451 179.062 176.600 0.017 0.000 0.991 393 E CA 1.425 57.883 56.400 0.098 0.000 0.810 393 E CB -0.870 28.934 29.700 0.173 0.000 0.742 393 E HN 0.297 nan 8.360 nan 0.000 0.466 394 G N 0.177 108.972 108.800 -0.009 0.000 2.442 394 G HA2 -0.247 3.826 3.960 0.188 0.000 0.219 394 G HA3 -0.247 3.826 3.960 0.188 0.000 0.219 394 G C 1.693 176.552 174.900 -0.069 0.000 1.141 394 G CA 1.052 46.109 45.100 -0.072 0.000 0.763 394 G HN 0.457 nan 8.290 nan 0.000 0.554 395 A N 1.076 123.884 122.820 -0.021 0.000 1.930 395 A HA -0.046 4.387 4.320 0.188 0.000 0.217 395 A C 2.291 179.825 177.584 -0.084 0.000 1.175 395 A CA 1.744 53.752 52.037 -0.047 0.000 0.627 395 A CB -0.360 18.655 19.000 0.024 0.000 0.815 395 A HN 0.337 nan 8.150 nan 0.000 0.443 396 N N 0.463 119.113 118.700 -0.085 0.000 2.058 396 N HA -0.138 4.715 4.740 0.188 0.000 0.191 396 N C 1.782 177.232 175.510 -0.100 0.000 1.037 396 N CA 1.761 54.728 53.050 -0.138 0.000 0.848 396 N CB -0.765 37.624 38.487 -0.163 0.000 1.021 396 N HN 0.263 nan 8.380 nan 0.000 0.422 397 V N 1.954 121.811 119.914 -0.096 0.000 2.255 397 V HA -0.214 4.019 4.120 0.188 0.000 0.247 397 V C 2.501 178.525 176.094 -0.116 0.000 1.051 397 V CA 1.373 63.619 62.300 -0.091 0.000 1.018 397 V CB -0.782 30.975 31.823 -0.111 0.000 0.641 397 V HN 0.221 nan 8.190 nan 0.000 0.445 398 L N -1.194 119.904 121.223 -0.208 0.000 2.043 398 L HA -0.243 4.210 4.340 0.188 0.000 0.212 398 L C 2.370 178.885 176.870 -0.591 0.000 1.075 398 L CA 2.116 56.658 54.840 -0.497 0.000 0.752 398 L CB -0.578 41.110 42.059 -0.618 0.000 0.891 398 L HN 0.377 nan 8.230 nan 0.000 0.432 399 F N 0.840 120.548 119.950 -0.403 0.000 2.113 399 F HA -0.229 4.415 4.527 0.194 0.000 0.297 399 F C 2.228 177.998 175.800 -0.051 0.000 1.103 399 F CA 1.690 59.549 58.000 -0.236 0.000 1.248 399 F CB -0.132 38.773 39.000 -0.159 0.000 0.999 399 F HN 0.078 nan 8.300 nan 0.000 0.475 400 D N -0.141 120.333 120.400 0.123 0.000 2.104 400 D HA -0.169 4.583 4.640 0.188 0.000 0.194 400 D C 2.309 178.661 176.300 0.088 0.000 0.994 400 D CA 2.159 56.223 54.000 0.107 0.000 0.830 400 D CB -0.802 40.040 40.800 0.069 0.000 0.959 400 D HN 0.279 nan 8.370 nan 0.000 0.452 401 T N 0.019 114.622 114.554 0.082 0.000 2.665 401 T HA -0.192 4.271 4.350 0.188 0.000 0.268 401 T C 1.638 176.560 174.700 0.371 0.000 1.035 401 T CA 1.224 63.451 62.100 0.212 0.000 1.151 401 T CB -0.310 68.718 68.868 0.266 0.000 0.862 401 T HN 0.236 nan 8.240 nan 0.000 0.438 402 W N 0.509 121.826 121.300 0.028 0.000 2.494 402 W HA 0.249 5.007 4.660 0.164 0.000 0.286 402 W C 2.375 178.891 176.519 -0.005 0.000 1.218 402 W CA -0.872 56.490 57.345 0.028 0.000 1.313 402 W CB -1.354 28.137 29.460 0.052 0.000 1.105 402 W HN 0.045 nan 8.180 nan 0.000 0.561 403 V N -0.197 119.792 119.914 0.124 0.000 2.379 403 V HA -0.288 3.945 4.120 0.188 0.000 0.245 403 V C 2.249 178.426 176.094 0.140 0.000 1.044 403 V CA 2.264 64.573 62.300 0.015 0.000 1.036 403 V CB -0.939 30.700 31.823 -0.307 0.000 0.664 403 V HN 0.095 nan 8.190 nan 0.000 0.453 404 H N 1.222 120.340 119.070 0.079 0.000 2.265 404 H HA -0.145 4.451 4.556 0.066 0.000 0.293 404 H C -0.244 175.134 175.328 0.083 0.000 1.089 404 H CA 2.790 58.895 56.048 0.094 0.000 1.244 404 H CB -1.391 28.429 29.762 0.097 0.000 1.355 404 H HN 0.330 nan 8.280 nan 0.000 0.485 405 P HA -0.126 nan 4.420 nan 0.000 0.218 405 P C 1.713 178.972 177.300 -0.068 0.000 1.148 405 P CA 1.244 64.305 63.100 -0.064 0.000 0.822 405 P CB -0.031 31.668 31.700 -0.001 0.000 0.784 406 L N -1.400 119.815 121.223 -0.013 0.000 2.044 406 L HA -0.111 4.342 4.340 0.188 0.000 0.205 406 L C 2.399 179.311 176.870 0.070 0.000 1.075 406 L CA 1.131 55.983 54.840 0.019 0.000 0.747 406 L CB -0.897 41.181 42.059 0.031 0.000 0.903 406 L HN -0.168 nan 8.230 nan 0.000 0.435 407 V N -0.180 119.785 119.914 0.085 0.000 2.287 407 V HA -0.344 3.888 4.120 0.188 0.000 0.248 407 V C 2.621 178.714 176.094 -0.002 0.000 1.053 407 V CA 1.688 64.044 62.300 0.094 0.000 1.027 407 V CB -0.416 31.482 31.823 0.126 0.000 0.646 407 V HN 0.379 nan 8.190 nan 0.000 0.447 408 M N 0.153 119.679 119.600 -0.123 0.000 2.108 408 M HA -0.123 4.469 4.480 0.188 0.000 0.261 408 M C 2.353 178.619 176.300 -0.057 0.000 1.066 408 M CA 2.154 57.374 55.300 -0.135 0.000 1.107 408 M CB -1.904 30.538 32.600 -0.263 0.000 1.356 408 M HN 0.462 nan 8.290 nan 0.000 0.406 409 G N 0.495 109.270 108.800 -0.042 0.000 2.446 409 G HA2 -0.202 3.870 3.960 0.188 0.000 0.217 409 G HA3 -0.202 3.870 3.960 0.188 0.000 0.217 409 G C 1.569 176.478 174.900 0.015 0.000 1.168 409 G CA 0.737 45.830 45.100 -0.013 0.000 0.771 409 G HN 0.363 nan 8.290 nan 0.000 0.551 410 L N 0.684 121.920 121.223 0.021 0.000 2.017 410 L HA 0.020 4.473 4.340 0.188 0.000 0.208 410 L C 2.648 179.528 176.870 0.017 0.000 1.073 410 L CA 2.197 57.040 54.840 0.005 0.000 0.745 410 L CB -0.819 41.236 42.059 -0.006 0.000 0.894 410 L HN 0.354 nan 8.230 nan 0.000 0.432 411 E N -0.911 119.297 120.200 0.012 0.000 2.153 411 E HA -0.203 4.260 4.350 0.188 0.000 0.194 411 E C 2.047 178.647 176.600 0.000 0.000 0.988 411 E CA 1.123 57.533 56.400 0.016 0.000 0.811 411 E CB 0.036 29.751 29.700 0.025 0.000 0.746 411 E HN 0.506 nan 8.360 nan 0.000 0.466 412 E N -0.311 119.888 120.200 -0.001 0.000 2.047 412 E HA -0.200 4.262 4.350 0.188 0.000 0.191 412 E C 1.975 178.556 176.600 -0.033 0.000 0.987 412 E CA 1.115 57.505 56.400 -0.016 0.000 0.799 412 E CB -0.293 29.400 29.700 -0.013 0.000 0.752 412 E HN 0.465 nan 8.360 nan 0.000 0.449 413 H N 0.927 119.932 119.070 -0.108 0.000 2.270 413 H HA -0.068 4.599 4.556 0.185 0.000 0.299 413 H C 2.352 177.535 175.328 -0.243 0.000 1.077 413 H CA 1.803 57.769 56.048 -0.137 0.000 1.294 413 H CB -0.278 29.424 29.762 -0.101 0.000 1.371 413 H HN -0.012 nan 8.280 nan 0.000 0.491 414 L N 0.110 121.293 121.223 -0.066 0.000 1.971 414 L HA -0.244 4.209 4.340 0.188 0.000 0.215 414 L C 2.769 179.117 176.870 -0.870 0.000 1.072 414 L CA 1.508 56.063 54.840 -0.475 0.000 0.758 414 L CB -0.541 41.386 42.059 -0.220 0.000 0.889 414 L HN 0.392 nan 8.230 nan 0.000 0.433 415 L N -0.635 120.370 121.223 -0.364 0.000 2.079 415 L HA -0.230 4.222 4.340 0.188 0.000 0.210 415 L C 2.775 179.532 176.870 -0.188 0.000 1.081 415 L CA 2.005 56.740 54.840 -0.175 0.000 0.752 415 L CB -0.943 41.108 42.059 -0.013 0.000 0.896 415 L HN 0.560 nan 8.230 nan 0.000 0.433 416 T N -3.395 111.020 114.554 -0.231 0.000 2.851 416 T HA -0.219 4.244 4.350 0.188 0.000 0.262 416 T C 1.804 176.360 174.700 -0.240 0.000 1.043 416 T CA 0.923 62.913 62.100 -0.184 0.000 1.140 416 T CB -0.316 68.453 68.868 -0.166 0.000 0.872 416 T HN 0.182 nan 8.240 nan 0.000 0.446 417 M N 1.760 121.114 119.600 -0.411 0.000 2.088 417 M HA -0.090 4.503 4.480 0.188 0.000 0.256 417 M C 1.513 177.674 176.300 -0.232 0.000 1.071 417 M CA 2.095 57.154 55.300 -0.402 0.000 1.097 417 M CB -0.486 31.774 32.600 -0.567 0.000 1.315 417 M HN 0.446 nan 8.290 nan 0.000 0.406 418 F N -1.651 118.270 119.950 -0.048 0.000 2.811 418 F HA 0.252 4.891 4.527 0.187 0.000 0.301 418 F C 1.799 177.584 175.800 -0.025 0.000 1.151 418 F CA -0.275 57.708 58.000 -0.028 0.000 1.412 418 F CB -0.852 38.140 39.000 -0.013 0.000 1.113 418 F HN -0.005 nan 8.300 nan 0.000 0.579 419 R N 1.211 121.762 120.500 0.086 0.000 2.062 419 R HA 0.036 4.489 4.340 0.188 0.000 0.229 419 R C 0.191 176.516 176.300 0.041 0.000 1.128 419 R CA 1.249 57.385 56.100 0.059 0.000 0.960 419 R CB -0.528 29.779 30.300 0.011 0.000 0.855 419 R HN 0.472 nan 8.270 nan 0.000 0.432 420 E N 0.000 120.209 120.200 0.015 0.000 2.725 420 E HA 0.000 4.463 4.350 0.188 0.000 0.291 420 E CA 0.000 56.407 56.400 0.011 0.000 0.976 420 E CB 0.000 29.702 29.700 0.003 0.000 0.812 420 E HN 0.000 nan 8.360 nan 0.000 0.440