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 3clw_1_A DATA FIRST_RESID 28 DATA SEQUENCE KKVFIIDKQT VYQEIDNFSA SDAWRCAFIG KNWPQEKKEK IADLLFKREF DATA SEQUENCE DEKGNPIGMA LTNWRVNIGA GSYENREAKE VDNSWNRTEC FLSPDGKYDF DATA SEQUENCE TKQAGQQWFM KAARERGMNN FLFFTNSAPY FMTRSASTVS TDQDCINLQN DATA SEQUENCE DKFDDFARFL VKSAQHFREQ GFHVNYISPN NEPNGQWHAN SFQEGSFATK DATA SEQUENCE ADLYRMVEEL DKAISEAQID TKILIPEVGD MKYLFEIDSI AKTPDDIIHS DATA SEQUENCE MFYKDGQYSV LKFKNLFNCV AAHDYWSAYP ATLLVDIRNR IHKELSANGH DATA SEQUENCE NTKFWASEYC ILEKNEEITM PASPERSINL GLYVARIIHN DLTLANASAW DATA SEQUENCE QWWTAVSLGE DVPIQLLPLE GSNGLSLQYD GEISTTKMLW TTANYSFFVR DATA SEQUENCE PGMKRIAIKP TYKISDLEAA TSLMISSYTD GKEVVTVAIN YSKENQVISL DATA SEQUENCE NCDHAQKGKV YLTTIDKNLR YMGEQPLKKL QLPARSVATI VV 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 28 K HA 0.000 nan 4.320 nan 0.000 0.191 28 K C 0.000 176.611 176.600 0.018 0.000 0.988 28 K CA 0.000 56.301 56.287 0.024 0.000 0.838 28 K CB 0.000 32.512 32.500 0.020 0.000 1.064 29 K N 1.720 122.148 120.400 0.047 0.000 2.203 29 K HA 0.537 4.857 4.320 -0.000 0.000 0.251 29 K C -1.290 175.319 176.600 0.015 0.000 0.944 29 K CA -0.888 55.402 56.287 0.004 0.000 0.829 29 K CB 2.382 34.920 32.500 0.063 0.000 1.125 29 K HN 0.284 nan 8.250 nan 0.000 0.430 30 V N 4.030 123.848 119.914 -0.159 0.000 2.487 30 V HA 0.586 4.706 4.120 -0.000 0.000 0.298 30 V C -1.771 174.161 176.094 -0.270 0.000 1.028 30 V CA -0.497 61.751 62.300 -0.087 0.000 0.860 30 V CB 0.485 32.276 31.823 -0.053 0.000 0.991 30 V HN 0.602 nan 8.190 nan 0.000 0.427 31 F N 6.379 126.332 119.950 0.006 0.000 2.482 31 F HA 0.687 5.214 4.527 -0.000 0.000 0.331 31 F C -0.112 175.692 175.800 0.006 0.000 1.115 31 F CA -0.656 57.349 58.000 0.009 0.000 0.955 31 F CB 2.037 41.044 39.000 0.012 0.000 1.136 31 F HN 0.322 nan 8.300 nan 0.000 0.452 32 I N 4.500 125.159 120.570 0.149 0.000 2.339 32 I HA 0.322 4.492 4.170 -0.000 0.000 0.290 32 I C -0.249 175.925 176.117 0.095 0.000 0.994 32 I CA -0.238 61.116 61.300 0.089 0.000 1.191 32 I CB 1.177 39.199 38.000 0.036 0.000 1.343 32 I HN 0.396 nan 8.210 nan 0.000 0.458 33 I N 5.091 125.702 120.570 0.068 0.000 2.395 33 I HA 0.180 4.350 4.170 -0.000 0.000 0.289 33 I C -0.349 175.780 176.117 0.020 0.000 1.023 33 I CA -0.121 61.208 61.300 0.048 0.000 1.350 33 I CB 0.972 38.993 38.000 0.035 0.000 1.409 33 I HN 0.528 nan 8.210 nan 0.000 0.507 34 D N 6.302 126.713 120.400 0.017 0.000 2.464 34 D HA 0.185 4.825 4.640 -0.000 0.000 0.243 34 D C 0.661 176.946 176.300 -0.025 0.000 1.104 34 D CA -0.473 53.524 54.000 -0.005 0.000 0.883 34 D CB 0.941 41.742 40.800 0.001 0.000 1.050 34 D HN 0.337 nan 8.370 nan 0.000 0.524 35 K N 1.763 122.148 120.400 -0.025 0.000 2.360 35 K HA -0.152 4.168 4.320 -0.000 0.000 0.201 35 K C 1.214 177.788 176.600 -0.043 0.000 1.046 35 K CA 0.846 57.117 56.287 -0.027 0.000 0.945 35 K CB 0.337 32.828 32.500 -0.015 0.000 0.750 35 K HN 0.327 nan 8.250 nan 0.000 0.464 36 Q N 0.018 119.790 119.800 -0.048 0.000 2.398 36 Q HA 0.028 4.368 4.340 -0.000 0.000 0.204 36 Q C -0.204 175.740 176.000 -0.093 0.000 0.932 36 Q CA 0.710 56.480 55.803 -0.055 0.000 0.916 36 Q CB 0.870 29.586 28.738 -0.037 0.000 1.024 36 Q HN 0.018 nan 8.270 nan 0.000 0.504 37 T N 0.579 115.055 114.554 -0.130 0.000 2.832 37 T HA 0.442 4.792 4.350 -0.000 0.000 0.313 37 T C -0.854 173.585 174.700 -0.435 0.000 1.035 37 T CA -0.368 61.584 62.100 -0.246 0.000 0.950 37 T CB 0.953 69.709 68.868 -0.188 0.000 0.984 37 T HN -0.196 nan 8.240 nan 0.000 0.486 38 V N 4.691 124.336 119.914 -0.449 0.000 2.435 38 V HA 0.486 4.606 4.120 -0.000 0.000 0.290 38 V C -0.590 175.168 176.094 -0.559 0.000 1.030 38 V CA -0.766 61.298 62.300 -0.394 0.000 0.881 38 V CB 0.928 32.658 31.823 -0.154 0.000 0.983 38 V HN 0.739 nan 8.190 nan 0.000 0.445 39 Y N 1.381 121.686 120.300 0.007 0.000 3.181 39 Y HA 0.367 4.917 4.550 -0.000 0.000 0.405 39 Y C 0.984 176.909 175.900 0.043 0.000 1.202 39 Y CA -0.589 57.519 58.100 0.013 0.000 1.278 39 Y CB -0.131 38.313 38.460 -0.027 0.000 1.305 39 Y HN 0.558 nan 8.280 nan 0.000 0.884 40 Q N 2.082 122.034 119.800 0.253 0.000 2.417 40 Q HA 0.042 4.382 4.340 -0.000 0.000 0.241 40 Q C -0.591 175.516 176.000 0.178 0.000 1.008 40 Q CA -0.266 55.647 55.803 0.183 0.000 0.901 40 Q CB 0.930 29.765 28.738 0.161 0.000 1.259 40 Q HN 0.701 nan 8.270 nan 0.000 0.489 41 E N 1.929 122.226 120.200 0.161 0.000 2.313 41 E HA 0.196 4.546 4.350 -0.000 0.000 0.276 41 E C -0.425 176.275 176.600 0.166 0.000 1.031 41 E CA -0.663 55.834 56.400 0.161 0.000 0.857 41 E CB 0.674 30.464 29.700 0.149 0.000 1.040 41 E HN 0.511 nan 8.360 nan 0.000 0.408 42 I N 4.845 125.508 120.570 0.154 0.000 2.416 42 I HA 0.001 4.171 4.170 -0.000 0.000 0.288 42 I C 0.634 176.796 176.117 0.075 0.000 1.051 42 I CA 0.047 61.399 61.300 0.087 0.000 1.375 42 I CB 0.878 38.931 38.000 0.088 0.000 1.407 42 I HN 0.693 nan 8.210 nan 0.000 0.516 43 D N 4.829 125.245 120.400 0.027 0.000 2.214 43 D HA 0.018 4.658 4.640 -0.000 0.000 0.217 43 D C 0.422 176.670 176.300 -0.087 0.000 0.973 43 D CA 1.229 55.270 54.000 0.068 0.000 0.880 43 D CB 0.341 41.302 40.800 0.268 0.000 1.031 43 D HN 0.771 nan 8.370 nan 0.000 0.468 44 N N -1.749 116.749 118.700 -0.336 0.000 3.227 44 N HA 0.333 5.073 4.740 -0.000 0.000 0.241 44 N C -1.854 173.338 175.510 -0.530 0.000 1.480 44 N CA -0.726 52.153 53.050 -0.286 0.000 0.886 44 N CB 0.637 38.971 38.487 -0.255 0.000 1.406 44 N HN -0.168 nan 8.380 nan 0.000 0.514 45 F N -0.583 119.301 119.950 -0.110 0.000 2.532 45 F HA 0.817 5.344 4.527 -0.000 0.000 0.321 45 F C 0.471 176.279 175.800 0.013 0.000 1.089 45 F CA -0.504 57.476 58.000 -0.033 0.000 0.926 45 F CB 2.406 41.441 39.000 0.058 0.000 1.168 45 F HN 0.627 nan 8.300 nan 0.000 0.459 46 S N 1.102 116.914 115.700 0.186 0.000 2.685 46 S HA 0.962 5.432 4.470 -0.000 0.000 0.282 46 S C -1.305 173.450 174.600 0.258 0.000 1.159 46 S CA -0.198 58.098 58.200 0.160 0.000 0.833 46 S CB 1.691 64.854 63.200 -0.062 0.000 1.151 46 S HN 1.004 nan 8.310 nan 0.000 0.485 47 A N 0.813 123.783 122.820 0.250 0.000 2.568 47 A HA 0.856 5.176 4.320 -0.000 0.000 0.291 47 A C -0.958 176.457 177.584 -0.283 0.000 1.159 47 A CA -0.508 51.613 52.037 0.140 0.000 0.679 47 A CB 1.100 20.267 19.000 0.278 0.000 1.285 47 A HN 0.857 nan 8.150 nan 0.000 0.428 48 S N -0.678 114.726 115.700 -0.493 0.000 2.503 48 S HA 0.474 4.944 4.470 -0.000 0.000 0.301 48 S C -0.070 173.923 174.600 -1.011 0.000 1.087 48 S CA 0.149 57.895 58.200 -0.758 0.000 1.042 48 S CB 1.240 64.114 63.200 -0.543 0.000 1.043 48 S HN 0.806 nan 8.310 nan 0.000 0.489 49 D N 2.879 122.645 120.400 -1.056 0.000 2.336 49 D HA 0.152 4.792 4.640 -0.000 0.000 0.229 49 D C 0.657 176.688 176.300 -0.449 0.000 1.061 49 D CA -0.121 53.503 54.000 -0.627 0.000 0.875 49 D CB -0.339 40.227 40.800 -0.389 0.000 0.904 49 D HN 0.511 nan 8.370 nan 0.000 0.525 50 A N -0.137 122.324 122.820 -0.599 0.000 2.511 50 A HA 0.298 4.618 4.320 -0.000 0.000 0.242 50 A C 0.440 177.800 177.584 -0.373 0.000 1.069 50 A CA 0.024 51.699 52.037 -0.603 0.000 0.763 50 A CB -0.147 18.228 19.000 -1.042 0.000 1.001 50 A HN 0.309 nan 8.150 nan 0.000 0.498 51 W N 0.351 121.588 121.300 -0.105 0.000 0.513 51 W HA -0.338 4.322 4.660 -0.000 0.000 0.215 51 W C 1.789 178.439 176.519 0.219 0.000 0.928 51 W CA 1.953 59.329 57.345 0.052 0.000 0.473 51 W CB -1.662 27.816 29.460 0.031 0.000 1.889 51 W HN 0.836 nan 8.180 nan 0.000 0.736 52 R N -0.673 120.024 120.500 0.328 0.000 2.156 52 R HA 0.146 4.486 4.340 -0.000 0.000 0.207 52 R C 1.882 178.308 176.300 0.211 0.000 1.040 52 R CA 1.318 57.635 56.100 0.361 0.000 1.013 52 R CB -0.796 29.535 30.300 0.052 0.000 0.931 52 R HN 0.213 nan 8.270 nan 0.000 0.465 53 C N 0.906 120.188 119.300 -0.030 0.000 2.419 53 C HA 0.007 4.467 4.460 -0.000 0.000 0.281 53 C C 2.864 177.900 174.990 0.077 0.000 1.336 53 C CA 0.720 59.647 59.018 -0.152 0.000 1.770 53 C CB -0.849 26.590 27.740 -0.502 0.000 1.929 53 C HN 0.562 nan 8.230 nan 0.000 0.509 54 A N 0.114 122.941 122.820 0.011 0.000 1.940 54 A HA -0.146 4.174 4.320 -0.000 0.000 0.219 54 A C 1.764 179.229 177.584 -0.199 0.000 1.176 54 A CA 1.675 53.635 52.037 -0.130 0.000 0.631 54 A CB -0.650 18.150 19.000 -0.335 0.000 0.814 54 A HN 0.539 nan 8.150 nan 0.000 0.446 55 F N -0.470 119.515 119.950 0.058 0.000 2.149 55 F HA 0.071 4.598 4.527 -0.000 0.000 0.294 55 F C 2.159 177.999 175.800 0.066 0.000 1.095 55 F CA 0.947 58.971 58.000 0.039 0.000 1.276 55 F CB -0.394 38.613 39.000 0.010 0.000 1.023 55 F HN 0.075 nan 8.300 nan 0.000 0.480 56 I N -0.079 120.561 120.570 0.116 0.000 2.179 56 I HA -0.221 3.949 4.170 -0.000 0.000 0.242 56 I C 2.682 178.815 176.117 0.026 0.000 1.088 56 I CA 1.628 62.812 61.300 -0.194 0.000 1.357 56 I CB -1.086 36.675 38.000 -0.398 0.000 1.051 56 I HN 0.216 nan 8.210 nan 0.000 0.409 57 G N 0.183 109.118 108.800 0.224 0.000 2.471 57 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.219 57 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.219 57 G C 1.733 176.555 174.900 -0.130 0.000 1.125 57 G CA 0.487 45.608 45.100 0.033 0.000 0.775 57 G HN 0.303 nan 8.290 nan 0.000 0.548 58 K N -0.500 119.906 120.400 0.011 0.000 2.244 58 K HA 0.088 4.408 4.320 -0.000 0.000 0.200 58 K C 1.649 178.276 176.600 0.045 0.000 1.052 58 K CA 0.518 56.811 56.287 0.011 0.000 0.980 58 K CB 0.197 32.704 32.500 0.011 0.000 0.838 58 K HN 0.109 nan 8.250 nan 0.000 0.481 59 N N -0.849 117.944 118.700 0.155 0.000 2.460 59 N HA 0.003 4.743 4.740 -0.000 0.000 0.193 59 N C -0.292 175.388 175.510 0.282 0.000 1.080 59 N CA 0.137 53.336 53.050 0.248 0.000 0.869 59 N CB 0.079 38.804 38.487 0.397 0.000 1.201 59 N HN 0.018 nan 8.380 nan 0.000 0.457 60 W N 2.931 124.227 121.300 -0.007 0.000 2.137 60 W HA 0.254 4.914 4.660 -0.000 0.000 0.344 60 W C -1.823 174.652 176.519 -0.074 0.000 1.286 60 W CA -1.319 56.019 57.345 -0.012 0.000 1.240 60 W CB -0.670 28.789 29.460 -0.003 0.000 1.141 60 W HN -0.080 nan 8.180 nan 0.000 0.579 61 P HA -0.124 nan 4.420 nan 0.000 0.264 61 P C 0.625 177.944 177.300 0.031 0.000 1.183 61 P CA 0.272 63.390 63.100 0.031 0.000 0.763 61 P CB 0.657 32.358 31.700 0.001 0.000 0.807 62 Q N 3.045 122.840 119.800 -0.008 0.000 2.096 62 Q HA -0.272 4.068 4.340 -0.000 0.000 0.208 62 Q C 1.588 177.611 176.000 0.038 0.000 0.993 62 Q CA 2.091 57.885 55.803 -0.016 0.000 0.862 62 Q CB -0.477 28.274 28.738 0.022 0.000 0.915 62 Q HN 0.509 nan 8.270 nan 0.000 0.416 63 E N -0.628 119.607 120.200 0.057 0.000 2.150 63 E HA -0.165 4.185 4.350 -0.000 0.000 0.193 63 E C 1.921 178.583 176.600 0.102 0.000 0.985 63 E CA 1.005 57.451 56.400 0.077 0.000 0.814 63 E CB 0.048 29.786 29.700 0.063 0.000 0.752 63 E HN 0.347 nan 8.360 nan 0.000 0.466 64 K N 0.780 121.256 120.400 0.127 0.000 2.031 64 K HA -0.094 4.226 4.320 -0.000 0.000 0.205 64 K C 2.105 178.820 176.600 0.192 0.000 1.049 64 K CA 0.755 57.167 56.287 0.208 0.000 0.939 64 K CB -0.077 32.627 32.500 0.339 0.000 0.717 64 K HN -0.080 nan 8.250 nan 0.000 0.438 65 K N 1.270 121.733 120.400 0.106 0.000 2.052 65 K HA -0.224 4.096 4.320 -0.000 0.000 0.215 65 K C 2.072 178.769 176.600 0.161 0.000 1.053 65 K CA 1.934 58.167 56.287 -0.089 0.000 0.934 65 K CB -0.004 32.136 32.500 -0.601 0.000 0.717 65 K HN 0.200 nan 8.250 nan 0.000 0.450 66 E N 0.400 120.724 120.200 0.205 0.000 2.072 66 E HA -0.220 4.130 4.350 -0.000 0.000 0.191 66 E C 2.022 178.713 176.600 0.151 0.000 0.985 66 E CA 1.043 57.588 56.400 0.241 0.000 0.801 66 E CB -0.093 29.718 29.700 0.185 0.000 0.750 66 E HN 0.153 nan 8.360 nan 0.000 0.452 67 K N 1.743 122.219 120.400 0.125 0.000 2.032 67 K HA -0.130 4.190 4.320 -0.000 0.000 0.209 67 K C 2.012 178.656 176.600 0.072 0.000 1.048 67 K CA 1.110 57.455 56.287 0.098 0.000 0.927 67 K CB -0.475 32.088 32.500 0.106 0.000 0.712 67 K HN 0.063 nan 8.250 nan 0.000 0.441 68 I N 0.600 121.224 120.570 0.089 0.000 2.127 68 I HA -0.308 3.862 4.170 -0.000 0.000 0.241 68 I C 2.352 178.468 176.117 -0.001 0.000 1.075 68 I CA 1.412 62.743 61.300 0.052 0.000 1.334 68 I CB -0.554 37.519 38.000 0.121 0.000 1.040 68 I HN 0.316 nan 8.210 nan 0.000 0.405 69 A N 0.550 123.420 122.820 0.082 0.000 1.917 69 A HA -0.276 4.044 4.320 -0.000 0.000 0.219 69 A C 1.929 179.505 177.584 -0.014 0.000 1.182 69 A CA 2.310 54.379 52.037 0.053 0.000 0.633 69 A CB -0.684 18.377 19.000 0.101 0.000 0.819 69 A HN 0.398 nan 8.150 nan 0.000 0.448 70 D N 0.054 120.462 120.400 0.014 0.000 2.097 70 D HA -0.123 4.516 4.640 -0.000 0.000 0.195 70 D C 1.887 178.148 176.300 -0.064 0.000 0.989 70 D CA 1.173 55.176 54.000 0.005 0.000 0.827 70 D CB -0.476 40.347 40.800 0.039 0.000 0.966 70 D HN 0.460 nan 8.370 nan 0.000 0.456 71 L N 0.198 121.361 121.223 -0.100 0.000 2.187 71 L HA -0.140 4.200 4.340 -0.000 0.000 0.213 71 L C 2.420 179.108 176.870 -0.303 0.000 1.100 71 L CA 0.635 55.370 54.840 -0.173 0.000 0.765 71 L CB -0.190 41.759 42.059 -0.182 0.000 0.904 71 L HN 0.051 nan 8.230 nan 0.000 0.437 72 L N -2.360 118.582 121.223 -0.469 0.000 2.168 72 L HA -0.026 4.314 4.340 -0.000 0.000 0.203 72 L C 1.750 178.197 176.870 -0.703 0.000 1.078 72 L CA 0.893 55.243 54.840 -0.817 0.000 0.780 72 L CB -0.105 41.005 42.059 -1.583 0.000 0.939 72 L HN 0.165 nan 8.230 nan 0.000 0.451 73 F N -1.224 118.653 119.950 -0.122 0.000 2.747 73 F HA 0.238 4.765 4.527 -0.000 0.000 0.305 73 F C 1.057 176.785 175.800 -0.120 0.000 1.065 73 F CA -0.695 57.223 58.000 -0.136 0.000 1.230 73 F CB 0.136 39.026 39.000 -0.185 0.000 1.027 73 F HN -0.238 nan 8.300 nan 0.000 0.607 74 K N 2.174 122.610 120.400 0.061 0.000 2.285 74 K HA 0.171 4.491 4.320 -0.000 0.000 0.286 74 K C 0.236 176.817 176.600 -0.030 0.000 1.072 74 K CA -0.387 55.911 56.287 0.017 0.000 0.913 74 K CB 0.514 33.030 32.500 0.027 0.000 1.067 74 K HN -0.195 nan 8.250 nan 0.000 0.479 75 R N 4.987 125.403 120.500 -0.139 0.000 2.870 75 R HA 0.133 4.473 4.340 -0.000 0.000 0.254 75 R C -0.980 175.140 176.300 -0.301 0.000 1.392 75 R CA 0.202 56.076 56.100 -0.377 0.000 1.322 75 R CB -0.049 29.930 30.300 -0.536 0.000 1.205 75 R HN 0.759 nan 8.270 nan 0.000 0.597 76 E N 1.819 121.963 120.200 -0.093 0.000 2.429 76 E HA 0.307 4.657 4.350 -0.000 0.000 0.276 76 E C -0.959 175.600 176.600 -0.069 0.000 0.953 76 E CA -0.847 55.519 56.400 -0.057 0.000 0.787 76 E CB 1.619 31.337 29.700 0.031 0.000 1.307 76 E HN 0.091 nan 8.360 nan 0.000 0.458 77 F N 1.316 121.369 119.950 0.172 0.000 2.425 77 F HA 0.162 4.689 4.527 -0.000 0.000 0.331 77 F C 1.071 176.908 175.800 0.063 0.000 1.085 77 F CA -0.752 57.307 58.000 0.099 0.000 1.028 77 F CB 0.828 39.875 39.000 0.079 0.000 1.177 77 F HN 0.376 nan 8.300 nan 0.000 0.487 78 D N 1.145 121.674 120.400 0.215 0.000 2.356 78 D HA 0.177 4.817 4.640 -0.000 0.000 0.258 78 D C 1.234 177.613 176.300 0.131 0.000 1.279 78 D CA 0.328 54.410 54.000 0.138 0.000 1.016 78 D CB -0.166 40.690 40.800 0.093 0.000 1.107 78 D HN 0.632 nan 8.370 nan 0.000 0.544 79 E N -1.276 118.977 120.200 0.088 0.000 2.150 79 E HA -0.026 4.324 4.350 -0.000 0.000 0.193 79 E C 2.069 178.708 176.600 0.064 0.000 0.985 79 E CA 2.256 58.697 56.400 0.068 0.000 0.814 79 E CB -1.149 28.581 29.700 0.051 0.000 0.752 79 E HN 0.702 nan 8.360 nan 0.000 0.466 80 K N -0.683 119.762 120.400 0.075 0.000 2.374 80 K HA 0.508 4.828 4.320 -0.000 0.000 0.196 80 K C 1.756 178.428 176.600 0.121 0.000 1.023 80 K CA 1.005 57.342 56.287 0.084 0.000 1.103 80 K CB -0.474 32.069 32.500 0.073 0.000 0.848 80 K HN 1.471 nan 8.250 nan 0.000 0.528 81 G N 0.681 109.537 108.800 0.093 0.000 2.144 81 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.218 81 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.218 81 G C -0.366 174.650 174.900 0.193 0.000 0.988 81 G CA -0.087 44.993 45.100 -0.034 0.000 0.659 81 G HN 0.514 nan 8.290 nan 0.000 0.522 82 N N 1.566 120.436 118.700 0.283 0.000 2.455 82 N HA 0.450 5.190 4.740 -0.000 0.000 0.280 82 N C -2.792 172.822 175.510 0.173 0.000 1.055 82 N CA -1.295 51.919 53.050 0.274 0.000 0.961 82 N CB 1.418 39.960 38.487 0.091 0.000 1.121 82 N HN 0.049 nan 8.380 nan 0.000 0.476 83 P HA 0.041 nan 4.420 nan 0.000 0.265 83 P C 1.010 178.114 177.300 -0.326 0.000 1.193 83 P CA 0.010 62.565 63.100 -0.909 0.000 0.765 83 P CB 0.451 31.079 31.700 -1.787 0.000 0.823 84 I N 0.207 120.686 120.570 -0.152 0.000 3.578 84 I HA 0.367 4.537 4.170 -0.000 0.000 0.295 84 I C 0.796 177.034 176.117 0.202 0.000 1.280 84 I CA 0.369 61.718 61.300 0.082 0.000 1.347 84 I CB -0.182 37.867 38.000 0.083 0.000 1.051 84 I HN 0.362 nan 8.210 nan 0.000 0.460 85 G N 0.297 109.168 108.800 0.119 0.000 2.341 85 G HA2 0.246 4.206 3.960 -0.000 0.000 0.299 85 G HA3 0.246 4.206 3.960 -0.000 0.000 0.299 85 G C -0.213 174.648 174.900 -0.064 0.000 1.274 85 G CA -0.475 44.590 45.100 -0.058 0.000 0.853 85 G HN -0.002 nan 8.290 nan 0.000 0.493 86 M N 0.529 120.027 119.600 -0.171 0.000 2.319 86 M HA 0.253 4.733 4.480 -0.000 0.000 0.265 86 M C 1.861 178.169 176.300 0.013 0.000 1.068 86 M CA 1.505 56.755 55.300 -0.083 0.000 1.118 86 M CB -0.191 32.338 32.600 -0.119 0.000 1.395 86 M HN 1.627 nan 8.290 nan 0.000 0.435 87 A N 1.733 124.554 122.820 0.001 0.000 2.415 87 A HA -0.181 4.139 4.320 -0.000 0.000 0.292 87 A C 0.094 177.677 177.584 -0.001 0.000 1.452 87 A CA 0.212 52.227 52.037 -0.038 0.000 0.750 87 A CB -2.507 16.364 19.000 -0.215 0.000 1.099 87 A HN 0.497 nan 8.150 nan 0.000 0.391 88 L N -0.543 120.722 121.223 0.070 0.000 2.516 88 L HA 0.170 4.510 4.340 -0.000 0.000 0.288 88 L C 1.726 178.705 176.870 0.182 0.000 1.246 88 L CA 0.924 55.871 54.840 0.179 0.000 0.844 88 L CB 0.334 42.547 42.059 0.255 0.000 1.106 88 L HN 0.783 nan 8.230 nan 0.000 0.509 89 T N -2.695 111.950 114.554 0.153 0.000 3.091 89 T HA 0.221 4.571 4.350 -0.000 0.000 0.277 89 T C 0.045 174.761 174.700 0.027 0.000 0.996 89 T CA -0.483 61.656 62.100 0.065 0.000 0.897 89 T CB -0.113 68.788 68.868 0.055 0.000 1.109 89 T HN 0.575 nan 8.240 nan 0.000 0.534 90 N N -0.106 118.636 118.700 0.071 0.000 2.416 90 N HA 0.508 5.248 4.740 -0.000 0.000 0.276 90 N C -2.298 173.359 175.510 0.245 0.000 1.261 90 N CA -0.826 52.257 53.050 0.055 0.000 0.790 90 N CB 1.909 40.380 38.487 -0.027 0.000 1.554 90 N HN 0.366 nan 8.380 nan 0.000 0.481 91 W N 3.250 124.538 121.300 -0.021 0.000 2.900 91 W HA 0.474 5.134 4.660 0.000 0.000 0.336 91 W C -1.201 175.470 176.519 0.255 0.000 1.064 91 W CA -0.671 56.762 57.345 0.147 0.000 1.237 91 W CB 1.390 30.945 29.460 0.157 0.000 1.391 91 W HN 0.466 nan 8.180 nan 0.000 0.468 92 R N 4.089 124.444 120.500 -0.243 0.000 2.207 92 R HA 0.399 4.739 4.340 -0.000 0.000 0.334 92 R C -0.589 175.593 176.300 -0.196 0.000 1.013 92 R CA -0.591 55.461 56.100 -0.080 0.000 0.858 92 R CB 1.910 32.136 30.300 -0.123 0.000 1.094 92 R HN 0.151 nan 8.270 nan 0.000 0.457 93 V N 3.610 123.561 119.914 0.061 0.000 2.370 93 V HA 0.114 4.234 4.120 -0.000 0.000 0.279 93 V C 0.386 176.167 176.094 -0.522 0.000 1.029 93 V CA -0.753 61.424 62.300 -0.205 0.000 0.870 93 V CB 1.297 33.005 31.823 -0.193 0.000 0.984 93 V HN 0.763 nan 8.190 nan 0.000 0.451 94 N N 5.462 123.688 118.700 -0.791 0.000 2.402 94 N HA 0.139 4.879 4.740 -0.000 0.000 0.259 94 N C -0.420 174.672 175.510 -0.697 0.000 1.167 94 N CA -0.774 51.563 53.050 -1.189 0.000 0.949 94 N CB 0.365 38.336 38.487 -0.860 0.000 1.212 94 N HN 0.465 nan 8.380 nan 0.000 0.493 95 I N 3.063 123.258 120.570 -0.625 0.000 2.505 95 I HA 0.059 4.229 4.170 -0.000 0.000 0.287 95 I C 1.584 177.558 176.117 -0.238 0.000 1.104 95 I CA -0.007 61.055 61.300 -0.396 0.000 1.387 95 I CB -0.171 37.687 38.000 -0.238 0.000 1.404 95 I HN 0.459 nan 8.210 nan 0.000 0.528 96 G N 4.584 113.222 108.800 -0.270 0.000 2.594 96 G HA2 0.368 4.328 3.960 -0.000 0.000 0.243 96 G HA3 0.368 4.328 3.960 -0.000 0.000 0.243 96 G C 0.474 175.326 174.900 -0.079 0.000 1.229 96 G CA 0.059 45.052 45.100 -0.179 0.000 0.843 96 G HN 0.798 nan 8.290 nan 0.000 0.578 97 A N -0.313 122.457 122.820 -0.084 0.000 2.469 97 A HA 0.555 4.875 4.320 -0.000 0.000 0.245 97 A C 1.604 179.163 177.584 -0.041 0.000 1.221 97 A CA 1.022 52.979 52.037 -0.133 0.000 0.946 97 A CB -0.037 18.874 19.000 -0.148 0.000 1.049 97 A HN 2.375 nan 8.150 nan 0.000 0.529 98 G N 0.503 109.317 108.800 0.024 0.000 2.149 98 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.235 98 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.235 98 G C 0.967 175.866 174.900 -0.002 0.000 1.018 98 G CA 1.014 46.197 45.100 0.139 0.000 0.728 98 G HN 1.317 nan 8.290 nan 0.000 0.508 99 S N -1.389 114.291 115.700 -0.033 0.000 2.469 99 S HA -0.112 4.358 4.470 -0.000 0.000 0.238 99 S C 1.808 176.350 174.600 -0.096 0.000 0.998 99 S CA 1.549 59.685 58.200 -0.106 0.000 0.957 99 S CB -0.266 62.899 63.200 -0.059 0.000 0.764 99 S HN 0.984 nan 8.310 nan 0.000 0.514 100 Y N 2.439 122.661 120.300 -0.131 0.000 2.153 100 Y HA 0.019 4.569 4.550 -0.000 0.000 0.289 100 Y C 2.166 177.987 175.900 -0.132 0.000 1.127 100 Y CA 1.813 59.846 58.100 -0.111 0.000 1.131 100 Y CB -0.485 37.924 38.460 -0.084 0.000 0.995 100 Y HN 0.186 nan 8.280 nan 0.000 0.505 101 E N 0.139 120.278 120.200 -0.102 0.000 2.160 101 E HA -0.210 4.140 4.350 -0.000 0.000 0.195 101 E C 1.316 177.688 176.600 -0.380 0.000 0.991 101 E CA 1.427 57.709 56.400 -0.195 0.000 0.810 101 E CB -0.284 29.438 29.700 0.036 0.000 0.742 101 E HN 0.350 nan 8.360 nan 0.000 0.466 102 N N 0.284 118.640 118.700 -0.574 0.000 2.276 102 N HA -0.005 4.735 4.740 -0.000 0.000 0.212 102 N C 0.893 176.164 175.510 -0.398 0.000 1.127 102 N CA -0.096 52.533 53.050 -0.701 0.000 0.834 102 N CB 0.079 37.804 38.487 -1.271 0.000 1.014 102 N HN 0.149 nan 8.380 nan 0.000 0.491 103 R N -0.194 120.102 120.500 -0.340 0.000 2.189 103 R HA -0.009 4.331 4.340 -0.000 0.000 0.223 103 R C 0.710 176.901 176.300 -0.182 0.000 1.092 103 R CA 1.108 57.060 56.100 -0.247 0.000 0.989 103 R CB -0.299 29.842 30.300 -0.265 0.000 0.876 103 R HN 0.298 nan 8.270 nan 0.000 0.457 104 E N 1.036 121.129 120.200 -0.179 0.000 2.418 104 E HA 0.026 4.376 4.350 -0.000 0.000 0.197 104 E C 0.671 177.213 176.600 -0.098 0.000 1.026 104 E CA 0.401 56.728 56.400 -0.123 0.000 0.862 104 E CB 0.217 29.851 29.700 -0.110 0.000 0.799 104 E HN 0.501 nan 8.360 nan 0.000 0.518 105 A N 1.508 124.258 122.820 -0.117 0.000 2.275 105 A HA 0.169 4.489 4.320 -0.000 0.000 0.282 105 A C 0.084 177.629 177.584 -0.064 0.000 1.275 105 A CA -0.370 51.616 52.037 -0.084 0.000 0.842 105 A CB 0.331 19.272 19.000 -0.099 0.000 1.280 105 A HN -0.027 nan 8.150 nan 0.000 0.508 106 K N 1.190 121.566 120.400 -0.040 0.000 2.155 106 K HA 0.195 4.515 4.320 -0.000 0.000 0.240 106 K C -0.487 176.098 176.600 -0.024 0.000 1.193 106 K CA 0.101 56.375 56.287 -0.022 0.000 1.104 106 K CB 0.072 32.571 32.500 -0.002 0.000 1.558 106 K HN 0.462 nan 8.250 nan 0.000 0.313 107 E N 0.703 120.878 120.200 -0.042 0.000 2.450 107 E HA 0.259 4.609 4.350 -0.000 0.000 0.248 107 E C -0.114 176.467 176.600 -0.031 0.000 0.930 107 E CA -1.095 55.273 56.400 -0.053 0.000 0.854 107 E CB 1.401 31.037 29.700 -0.106 0.000 1.355 107 E HN 0.006 nan 8.360 nan 0.000 0.402 108 V N 2.676 122.566 119.914 -0.041 0.000 2.681 108 V HA -0.172 3.948 4.120 -0.000 0.000 0.306 108 V C 0.980 177.048 176.094 -0.042 0.000 1.077 108 V CA 1.061 63.333 62.300 -0.046 0.000 1.224 108 V CB -0.273 31.499 31.823 -0.085 0.000 0.879 108 V HN 0.631 nan 8.190 nan 0.000 0.494 109 D N 2.354 122.744 120.400 -0.016 0.000 2.325 109 D HA 0.068 4.708 4.640 -0.000 0.000 0.225 109 D C 0.203 176.510 176.300 0.012 0.000 1.096 109 D CA -0.097 53.910 54.000 0.011 0.000 0.844 109 D CB -0.263 40.569 40.800 0.053 0.000 0.925 109 D HN 0.799 nan 8.370 nan 0.000 0.513 110 N N -2.120 116.564 118.700 -0.028 0.000 2.610 110 N HA 0.224 4.964 4.740 -0.000 0.000 0.264 110 N C 0.250 175.740 175.510 -0.033 0.000 1.348 110 N CA -0.406 52.637 53.050 -0.012 0.000 0.819 110 N CB 1.351 39.854 38.487 0.026 0.000 1.521 110 N HN -0.174 nan 8.380 nan 0.000 0.497 111 S N -1.253 114.428 115.700 -0.031 0.000 2.470 111 S HA -0.009 4.461 4.470 -0.000 0.000 0.225 111 S C 0.854 175.470 174.600 0.027 0.000 1.006 111 S CA -0.124 58.065 58.200 -0.019 0.000 0.934 111 S CB -0.692 62.454 63.200 -0.091 0.000 0.778 111 S HN 0.680 nan 8.310 nan 0.000 0.517 112 W N 2.470 123.708 121.300 -0.102 0.000 2.358 112 W HA 0.109 4.769 4.660 -0.000 0.000 0.303 112 W C 1.657 178.133 176.519 -0.071 0.000 1.208 112 W CA 0.623 57.917 57.345 -0.085 0.000 1.274 112 W CB -0.172 29.152 29.460 -0.228 0.000 1.138 112 W HN 0.319 nan 8.180 nan 0.000 0.515 113 N N -0.481 118.122 118.700 -0.161 0.000 2.236 113 N HA 0.098 4.838 4.740 -0.000 0.000 0.196 113 N C -0.039 175.345 175.510 -0.209 0.000 1.114 113 N CA 0.144 52.825 53.050 -0.616 0.000 0.859 113 N CB -0.017 37.687 38.487 -1.305 0.000 0.982 113 N HN -0.002 nan 8.380 nan 0.000 0.493 114 R N 0.405 120.883 120.500 -0.037 0.000 2.539 114 R HA 0.296 4.636 4.340 -0.000 0.000 0.275 114 R C 0.330 176.662 176.300 0.055 0.000 1.077 114 R CA 0.153 56.274 56.100 0.035 0.000 1.097 114 R CB 0.628 30.999 30.300 0.119 0.000 1.018 114 R HN 0.083 nan 8.270 nan 0.000 0.483 115 T N -1.407 113.171 114.554 0.039 0.000 2.893 115 T HA 0.338 4.688 4.350 -0.000 0.000 0.291 115 T C -0.172 174.519 174.700 -0.015 0.000 1.028 115 T CA -1.118 60.965 62.100 -0.029 0.000 0.995 115 T CB 1.785 70.620 68.868 -0.055 0.000 1.051 115 T HN 0.450 nan 8.240 nan 0.000 0.470 116 E N 0.119 120.255 120.200 -0.107 0.000 2.397 116 E HA 0.443 4.793 4.350 -0.000 0.000 0.254 116 E C -0.545 175.985 176.600 -0.117 0.000 1.231 116 E CA -0.734 55.627 56.400 -0.065 0.000 0.954 116 E CB 0.833 30.451 29.700 -0.137 0.000 1.024 116 E HN 0.697 nan 8.360 nan 0.000 0.481 117 C N 1.476 120.743 119.300 -0.055 0.000 2.482 117 C HA 0.318 4.778 4.460 -0.000 0.000 0.317 117 C C 0.880 175.858 174.990 -0.019 0.000 1.197 117 C CA -0.685 58.289 59.018 -0.075 0.000 1.432 117 C CB -0.605 27.136 27.740 0.002 0.000 2.062 117 C HN 0.739 nan 8.230 nan 0.000 0.471 118 F N 3.045 123.098 119.950 0.172 0.000 2.202 118 F HA 0.056 4.583 4.527 0.000 0.000 0.301 118 F C 0.984 176.693 175.800 -0.152 0.000 1.082 118 F CA 0.886 58.896 58.000 0.017 0.000 1.313 118 F CB -0.466 38.545 39.000 0.019 0.000 1.024 118 F HN 0.437 nan 8.300 nan 0.000 0.495 119 L N -0.044 121.209 121.223 0.050 0.000 2.322 119 L HA 0.476 4.816 4.340 -0.000 0.000 0.279 119 L C 0.175 176.981 176.870 -0.105 0.000 1.036 119 L CA -0.648 54.017 54.840 -0.292 0.000 0.807 119 L CB 1.227 43.071 42.059 -0.358 0.000 1.226 119 L HN 0.013 nan 8.230 nan 0.000 0.433 120 S N 3.189 118.702 115.700 -0.312 0.000 2.664 120 S HA 0.669 5.139 4.470 -0.000 0.000 0.304 120 S C -2.199 171.766 174.600 -1.059 0.000 1.099 120 S CA -1.309 56.615 58.200 -0.461 0.000 1.003 120 S CB 1.391 64.443 63.200 -0.246 0.000 1.092 120 S HN 0.561 nan 8.310 nan 0.000 0.525 121 P HA -0.091 nan 4.420 nan 0.000 0.219 121 P C 0.579 177.490 177.300 -0.648 0.000 1.146 121 P CA 1.282 63.575 63.100 -1.345 0.000 0.808 121 P CB -0.250 30.991 31.700 -0.766 0.000 0.779 122 D N -1.528 118.616 120.400 -0.427 0.000 2.363 122 D HA 0.038 4.678 4.640 -0.000 0.000 0.226 122 D C 1.417 177.589 176.300 -0.213 0.000 1.020 122 D CA 0.712 54.560 54.000 -0.253 0.000 0.892 122 D CB -1.185 39.516 40.800 -0.166 0.000 0.900 122 D HN 0.212 nan 8.370 nan 0.000 0.531 123 G N -0.254 108.371 108.800 -0.292 0.000 2.159 123 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.256 123 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.256 123 G C 0.122 174.948 174.900 -0.124 0.000 0.977 123 G CA 0.137 45.129 45.100 -0.180 0.000 0.652 123 G HN 0.343 nan 8.290 nan 0.000 0.531 124 K N -0.299 120.007 120.400 -0.156 0.000 2.144 124 K HA 0.597 4.917 4.320 -0.000 0.000 0.270 124 K C -0.453 176.045 176.600 -0.171 0.000 1.005 124 K CA -0.646 55.599 56.287 -0.071 0.000 0.932 124 K CB 0.831 33.302 32.500 -0.048 0.000 1.021 124 K HN 0.202 nan 8.250 nan 0.000 0.462 125 Y N 0.284 120.526 120.300 -0.096 0.000 2.341 125 Y HA 0.154 4.704 4.550 0.000 0.000 0.337 125 Y C 0.128 175.875 175.900 -0.256 0.000 1.014 125 Y CA -0.488 57.468 58.100 -0.241 0.000 1.111 125 Y CB 1.546 39.766 38.460 -0.400 0.000 1.194 125 Y HN 0.444 nan 8.280 nan 0.000 0.462 126 D N 3.068 123.387 120.400 -0.136 0.000 2.446 126 D HA 0.194 4.834 4.640 -0.000 0.000 0.251 126 D C -0.562 175.713 176.300 -0.042 0.000 1.137 126 D CA -0.372 53.599 54.000 -0.048 0.000 0.890 126 D CB 0.204 41.026 40.800 0.036 0.000 1.071 126 D HN 0.335 nan 8.370 nan 0.000 0.528 127 F N 1.140 121.076 119.950 -0.024 0.000 2.804 127 F HA 0.030 4.557 4.527 0.000 0.000 0.303 127 F C 2.441 178.245 175.800 0.007 0.000 1.154 127 F CA 0.470 58.305 58.000 -0.276 0.000 1.401 127 F CB -0.069 38.374 39.000 -0.928 0.000 1.106 127 F HN 0.348 nan 8.300 nan 0.000 0.568 128 T N -3.262 111.433 114.554 0.234 0.000 3.100 128 T HA 0.083 4.433 4.350 -0.000 0.000 0.253 128 T C 0.891 175.740 174.700 0.250 0.000 1.118 128 T CA -0.032 62.200 62.100 0.220 0.000 1.058 128 T CB -0.156 68.800 68.868 0.147 0.000 0.953 128 T HN 0.037 nan 8.240 nan 0.000 0.515 129 K N 1.131 121.729 120.400 0.329 0.000 2.118 129 K HA 0.273 4.593 4.320 -0.000 0.000 0.240 129 K C 0.272 177.044 176.600 0.288 0.000 1.035 129 K CA -0.559 55.869 56.287 0.235 0.000 0.899 129 K CB 0.158 32.754 32.500 0.160 0.000 1.085 129 K HN 0.167 nan 8.250 nan 0.000 0.498 130 Q N -1.209 118.617 119.800 0.043 0.000 2.475 130 Q HA -0.286 4.054 4.340 -0.000 0.000 0.280 130 Q C 0.709 176.779 176.000 0.117 0.000 1.234 130 Q CA 0.427 56.233 55.803 0.005 0.000 0.873 130 Q CB -1.913 26.782 28.738 -0.072 0.000 1.256 130 Q HN 0.799 nan 8.270 nan 0.000 0.475 131 A N 0.076 122.961 122.820 0.108 0.000 1.902 131 A HA -0.082 4.237 4.320 -0.000 0.000 0.217 131 A C 2.104 179.797 177.584 0.181 0.000 1.181 131 A CA 1.927 54.057 52.037 0.156 0.000 0.623 131 A CB -0.767 18.304 19.000 0.117 0.000 0.818 131 A HN 0.658 nan 8.150 nan 0.000 0.443 132 G N -0.983 107.889 108.800 0.119 0.000 2.418 132 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.217 132 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.217 132 G C 1.611 176.734 174.900 0.372 0.000 1.158 132 G CA 1.045 46.266 45.100 0.203 0.000 0.771 132 G HN 0.639 nan 8.290 nan 0.000 0.545 133 Q N -0.298 119.637 119.800 0.225 0.000 2.119 133 Q HA -0.069 4.271 4.340 -0.000 0.000 0.201 133 Q C 2.753 178.882 176.000 0.215 0.000 0.972 133 Q CA 1.135 57.079 55.803 0.236 0.000 0.847 133 Q CB -0.101 28.652 28.738 0.024 0.000 0.903 133 Q HN 0.586 nan 8.270 nan 0.000 0.433 134 Q N -0.688 119.201 119.800 0.149 0.000 2.167 134 Q HA -0.194 4.146 4.340 -0.000 0.000 0.202 134 Q C 1.614 177.670 176.000 0.094 0.000 0.970 134 Q CA 1.079 56.915 55.803 0.056 0.000 0.855 134 Q CB -0.213 28.633 28.738 0.180 0.000 0.911 134 Q HN 0.454 nan 8.270 nan 0.000 0.438 135 W N 0.684 122.029 121.300 0.075 0.000 2.335 135 W HA -0.243 4.417 4.660 -0.000 0.000 0.311 135 W C 1.506 178.000 176.519 -0.043 0.000 1.213 135 W CA 1.559 58.915 57.345 0.018 0.000 1.274 135 W CB -0.396 29.058 29.460 -0.010 0.000 1.148 135 W HN 0.038 nan 8.180 nan 0.000 0.498 136 F N 0.177 120.256 119.950 0.214 0.000 2.126 136 F HA -0.303 4.224 4.527 0.000 0.000 0.299 136 F C 2.555 178.232 175.800 -0.204 0.000 1.096 136 F CA 2.217 60.244 58.000 0.045 0.000 1.255 136 F CB -0.866 38.333 39.000 0.332 0.000 0.997 136 F HN -0.165 nan 8.300 nan 0.000 0.479 137 M N 0.246 119.849 119.600 0.005 0.000 2.065 137 M HA -0.261 4.219 4.480 -0.000 0.000 0.259 137 M C 2.611 178.857 176.300 -0.090 0.000 1.069 137 M CA 2.516 57.677 55.300 -0.232 0.000 1.110 137 M CB -0.881 31.138 32.600 -0.968 0.000 1.328 137 M HN 0.126 nan 8.290 nan 0.000 0.405 138 K N 0.398 120.713 120.400 -0.142 0.000 2.097 138 K HA 0.032 4.352 4.320 -0.000 0.000 0.206 138 K C 2.078 178.493 176.600 -0.309 0.000 1.049 138 K CA 1.744 58.003 56.287 -0.046 0.000 0.933 138 K CB -1.462 30.976 32.500 -0.103 0.000 0.717 138 K HN 0.529 nan 8.250 nan 0.000 0.442 139 A N 0.945 123.371 122.820 -0.657 0.000 1.898 139 A HA 0.299 4.619 4.320 -0.000 0.000 0.216 139 A C 2.798 180.134 177.584 -0.413 0.000 1.181 139 A CA 1.929 53.555 52.037 -0.685 0.000 0.620 139 A CB -0.808 17.497 19.000 -1.157 0.000 0.819 139 A HN 0.860 nan 8.150 nan 0.000 0.442 140 A N -0.071 122.413 122.820 -0.560 0.000 1.865 140 A HA -0.206 4.114 4.320 -0.000 0.000 0.217 140 A C 2.271 179.607 177.584 -0.413 0.000 1.191 140 A CA 1.903 53.389 52.037 -0.918 0.000 0.623 140 A CB -0.575 17.569 19.000 -1.427 0.000 0.826 140 A HN 0.550 nan 8.150 nan 0.000 0.444 141 R N -0.392 120.019 120.500 -0.148 0.000 2.091 141 R HA -0.182 4.158 4.340 -0.000 0.000 0.238 141 R C 2.147 178.368 176.300 -0.131 0.000 1.136 141 R CA 1.804 57.860 56.100 -0.073 0.000 0.959 141 R CB -0.341 29.986 30.300 0.046 0.000 0.856 141 R HN 0.697 nan 8.270 nan 0.000 0.437 142 E N 0.014 120.129 120.200 -0.143 0.000 2.171 142 E HA -0.201 4.149 4.350 -0.000 0.000 0.197 142 E C 1.306 177.844 176.600 -0.103 0.000 0.997 142 E CA 1.209 57.533 56.400 -0.126 0.000 0.810 142 E CB 0.149 29.761 29.700 -0.146 0.000 0.738 142 E HN 0.301 nan 8.360 nan 0.000 0.467 143 R N -1.345 119.087 120.500 -0.113 0.000 2.388 143 R HA 0.131 4.471 4.340 -0.000 0.000 0.247 143 R C 0.768 177.018 176.300 -0.083 0.000 0.931 143 R CA 0.483 56.541 56.100 -0.070 0.000 1.082 143 R CB 0.805 31.100 30.300 -0.009 0.000 1.135 143 R HN 0.220 nan 8.270 nan 0.000 0.525 144 G N 0.690 109.424 108.800 -0.109 0.000 2.132 144 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.234 144 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.234 144 G C -0.076 174.748 174.900 -0.126 0.000 0.989 144 G CA -0.162 44.876 45.100 -0.104 0.000 0.676 144 G HN 0.187 nan 8.290 nan 0.000 0.522 145 M N 1.165 120.652 119.600 -0.187 0.000 2.023 145 M HA 0.526 5.006 4.480 -0.000 0.000 0.325 145 M C -0.652 175.444 176.300 -0.341 0.000 0.963 145 M CA -1.111 54.037 55.300 -0.253 0.000 0.928 145 M CB 0.794 33.210 32.600 -0.308 0.000 1.429 145 M HN 0.077 nan 8.290 nan 0.000 0.404 146 N N 4.356 122.899 118.700 -0.262 0.000 2.844 146 N HA 0.275 5.015 4.740 -0.000 0.000 0.268 146 N C -1.789 173.605 175.510 -0.193 0.000 1.574 146 N CA -0.039 52.873 53.050 -0.229 0.000 0.838 146 N CB 0.254 38.612 38.487 -0.215 0.000 1.177 146 N HN 0.619 nan 8.380 nan 0.000 0.495 147 N N 1.891 120.279 118.700 -0.520 0.000 2.594 147 N HA 0.309 5.049 4.740 -0.000 0.000 0.280 147 N C -1.981 173.320 175.510 -0.349 0.000 1.156 147 N CA -0.209 52.714 53.050 -0.212 0.000 0.831 147 N CB 0.237 38.691 38.487 -0.055 0.000 1.379 147 N HN 0.010 nan 8.380 nan 0.000 0.536 148 F N 1.730 121.786 119.950 0.177 0.000 2.546 148 F HA 0.565 5.092 4.527 -0.000 0.000 0.320 148 F C -0.117 175.831 175.800 0.247 0.000 1.076 148 F CA -0.957 57.172 58.000 0.214 0.000 0.928 148 F CB 1.965 41.061 39.000 0.161 0.000 1.189 148 F HN 0.233 nan 8.300 nan 0.000 0.465 149 L N 3.337 124.870 121.223 0.517 0.000 2.341 149 L HA 0.569 4.909 4.340 -0.000 0.000 0.278 149 L C -1.548 175.691 176.870 0.614 0.000 1.005 149 L CA -0.360 54.773 54.840 0.488 0.000 0.818 149 L CB 1.147 43.445 42.059 0.399 0.000 1.259 149 L HN 0.560 nan 8.230 nan 0.000 0.418 150 F N 5.597 125.679 119.950 0.221 0.000 2.415 150 F HA 0.424 4.951 4.527 -0.000 0.000 0.348 150 F C -0.251 175.666 175.800 0.195 0.000 1.119 150 F CA -0.969 57.107 58.000 0.128 0.000 1.069 150 F CB 1.304 40.335 39.000 0.052 0.000 1.124 150 F HN 0.435 nan 8.300 nan 0.000 0.472 151 F N 1.033 121.067 119.950 0.140 0.000 2.576 151 F HA 0.771 5.298 4.527 -0.000 0.000 0.313 151 F C -0.914 174.928 175.800 0.070 0.000 1.078 151 F CA -0.950 57.109 58.000 0.099 0.000 0.921 151 F CB 1.361 40.409 39.000 0.079 0.000 1.232 151 F HN 0.288 nan 8.300 nan 0.000 0.459 152 T N -0.138 114.511 114.554 0.159 0.000 2.863 152 T HA 0.397 4.747 4.350 -0.000 0.000 0.285 152 T C -0.286 174.512 174.700 0.163 0.000 1.009 152 T CA -0.833 61.330 62.100 0.105 0.000 0.989 152 T CB 1.701 70.759 68.868 0.317 0.000 1.004 152 T HN 0.661 nan 8.240 nan 0.000 0.455 153 N N 0.488 119.217 118.700 0.048 0.000 2.322 153 N HA 0.210 4.950 4.740 -0.000 0.000 0.181 153 N C 0.089 175.517 175.510 -0.136 0.000 1.088 153 N CA 0.144 53.168 53.050 -0.043 0.000 0.885 153 N CB 0.824 39.294 38.487 -0.030 0.000 1.013 153 N HN 0.743 nan 8.380 nan 0.000 0.472 154 S N -0.991 114.647 115.700 -0.104 0.000 2.567 154 S HA 0.685 5.155 4.470 -0.000 0.000 0.270 154 S C -1.482 172.917 174.600 -0.335 0.000 1.152 154 S CA -0.683 57.392 58.200 -0.209 0.000 0.835 154 S CB 1.075 64.157 63.200 -0.198 0.000 1.115 154 S HN 0.150 nan 8.310 nan 0.000 0.459 155 A N 2.831 125.233 122.820 -0.696 0.000 2.366 155 A HA 0.691 5.011 4.320 -0.000 0.000 0.249 155 A C -2.626 174.479 177.584 -0.798 0.000 1.084 155 A CA -1.238 50.049 52.037 -1.250 0.000 0.794 155 A CB -0.791 17.290 19.000 -1.533 0.000 1.034 155 A HN 0.625 nan 8.150 nan 0.000 0.491 156 P HA -0.036 nan 4.420 nan 0.000 0.264 156 P C 0.259 176.937 177.300 -1.037 0.000 1.179 156 P CA 0.494 62.951 63.100 -1.072 0.000 0.763 156 P CB 0.030 30.712 31.700 -1.696 0.000 0.806 157 Y N 2.967 122.861 120.300 -0.676 0.000 2.139 157 Y HA -0.271 4.279 4.550 -0.000 0.000 0.282 157 Y C 1.687 177.383 175.900 -0.340 0.000 1.179 157 Y CA 1.254 59.121 58.100 -0.389 0.000 1.161 157 Y CB -2.152 36.199 38.460 -0.181 0.000 0.970 157 Y HN 0.314 nan 8.280 nan 0.000 0.511 158 F N -1.463 118.046 119.950 -0.734 0.000 2.699 158 F HA 0.190 4.717 4.527 -0.000 0.000 0.298 158 F C 1.694 177.310 175.800 -0.307 0.000 1.154 158 F CA 0.297 58.005 58.000 -0.488 0.000 1.457 158 F CB -0.716 37.909 39.000 -0.625 0.000 1.106 158 F HN 0.061 nan 8.300 nan 0.000 0.585 159 M N 0.780 120.085 119.600 -0.491 0.000 2.382 159 M HA 0.118 4.598 4.480 -0.000 0.000 0.247 159 M C 0.671 176.811 176.300 -0.268 0.000 1.104 159 M CA 0.170 55.275 55.300 -0.325 0.000 1.030 159 M CB 0.087 32.401 32.600 -0.477 0.000 1.424 159 M HN 0.224 nan 8.290 nan 0.000 0.486 160 T N -2.036 112.362 114.554 -0.260 0.000 2.847 160 T HA 0.312 4.662 4.350 -0.000 0.000 0.279 160 T C 0.972 175.613 174.700 -0.099 0.000 0.984 160 T CA -0.630 61.353 62.100 -0.196 0.000 0.988 160 T CB 1.606 70.367 68.868 -0.179 0.000 1.040 160 T HN 0.199 nan 8.240 nan 0.000 0.528 161 R N 0.329 120.788 120.500 -0.069 0.000 2.115 161 R HA -0.018 4.322 4.340 -0.000 0.000 0.226 161 R C 2.509 178.800 176.300 -0.015 0.000 1.100 161 R CA 1.387 57.470 56.100 -0.027 0.000 0.980 161 R CB -0.261 30.033 30.300 -0.009 0.000 0.875 161 R HN 0.834 nan 8.270 nan 0.000 0.445 162 S N -0.349 115.342 115.700 -0.015 0.000 2.575 162 S HA 0.242 4.712 4.470 -0.000 0.000 0.215 162 S C 1.027 175.633 174.600 0.011 0.000 0.966 162 S CA 0.226 58.426 58.200 0.001 0.000 0.911 162 S CB 0.850 64.056 63.200 0.010 0.000 0.780 162 S HN 0.324 nan 8.310 nan 0.000 0.514 163 A N -0.131 122.696 122.820 0.011 0.000 2.832 163 A HA -0.047 4.273 4.320 -0.000 0.000 0.280 163 A C 0.535 178.172 177.584 0.089 0.000 1.464 163 A CA 0.862 52.932 52.037 0.056 0.000 0.804 163 A CB -2.159 16.880 19.000 0.065 0.000 1.020 163 A HN 1.481 nan 8.150 nan 0.000 0.563 164 S N -2.579 113.148 115.700 0.045 0.000 2.552 164 S HA 0.607 5.077 4.470 -0.000 0.000 0.272 164 S C 0.930 175.525 174.600 -0.009 0.000 1.150 164 S CA 1.010 59.226 58.200 0.027 0.000 0.849 164 S CB 0.890 64.090 63.200 0.001 0.000 1.113 164 S HN 1.634 nan 8.310 nan 0.000 0.458 165 T N 0.122 114.662 114.554 -0.023 0.000 3.035 165 T HA 0.136 4.486 4.350 -0.000 0.000 0.268 165 T C 0.587 175.274 174.700 -0.021 0.000 1.109 165 T CA 0.739 62.806 62.100 -0.054 0.000 1.119 165 T CB -0.414 68.418 68.868 -0.059 0.000 0.900 165 T HN 0.448 nan 8.240 nan 0.000 0.503 166 V N 3.925 123.844 119.914 0.009 0.000 2.368 166 V HA 0.385 4.505 4.120 -0.000 0.000 0.266 166 V C 0.816 176.952 176.094 0.071 0.000 1.045 166 V CA -0.914 61.421 62.300 0.059 0.000 0.899 166 V CB 0.204 32.065 31.823 0.064 0.000 1.006 166 V HN 0.657 nan 8.190 nan 0.000 0.470 167 S N 3.384 119.150 115.700 0.110 0.000 2.600 167 S HA 0.254 4.724 4.470 -0.000 0.000 0.265 167 S C 0.830 175.516 174.600 0.143 0.000 1.325 167 S CA 0.178 58.446 58.200 0.114 0.000 1.002 167 S CB 1.097 64.394 63.200 0.162 0.000 0.921 167 S HN 0.941 nan 8.310 nan 0.000 0.554 168 T N -3.027 111.574 114.554 0.079 0.000 3.231 168 T HA 0.431 4.781 4.350 -0.000 0.000 0.292 168 T C -0.728 173.876 174.700 -0.160 0.000 1.001 168 T CA -0.029 62.094 62.100 0.039 0.000 0.920 168 T CB -0.914 67.966 68.868 0.019 0.000 1.140 168 T HN 0.890 nan 8.240 nan 0.000 0.525 169 D N -0.853 119.384 120.400 -0.271 0.000 2.671 169 D HA 0.222 4.862 4.640 -0.000 0.000 0.273 169 D C -0.452 175.620 176.300 -0.381 0.000 1.264 169 D CA -0.790 52.855 54.000 -0.592 0.000 0.788 169 D CB 0.713 41.352 40.800 -0.269 0.000 1.324 169 D HN -0.056 nan 8.370 nan 0.000 0.424 170 Q N -0.513 119.055 119.800 -0.386 0.000 2.241 170 Q HA 0.175 4.515 4.340 -0.000 0.000 0.296 170 Q C -0.334 175.467 176.000 -0.332 0.000 0.889 170 Q CA -0.308 55.303 55.803 -0.320 0.000 1.089 170 Q CB 0.250 28.763 28.738 -0.375 0.000 1.195 170 Q HN 0.385 nan 8.270 nan 0.000 0.451 171 D N -0.212 120.140 120.400 -0.080 0.000 2.123 171 D HA -0.037 4.603 4.640 -0.000 0.000 0.200 171 D C 1.111 177.549 176.300 0.231 0.000 0.976 171 D CA 1.009 55.028 54.000 0.031 0.000 0.831 171 D CB 0.222 41.039 40.800 0.028 0.000 0.974 171 D HN 0.501 nan 8.370 nan 0.000 0.469 172 C N -1.907 117.593 119.300 0.333 0.000 3.253 172 C HA 0.463 4.923 4.460 -0.000 0.000 0.361 172 C C -0.110 175.065 174.990 0.309 0.000 1.498 172 C CA -1.696 57.545 59.018 0.372 0.000 1.163 172 C CB 0.286 28.159 27.740 0.221 0.000 1.687 172 C HN 0.203 nan 8.230 nan 0.000 0.430 173 I N 2.222 122.896 120.570 0.173 0.000 2.775 173 I HA 0.059 4.229 4.170 -0.000 0.000 0.290 173 I C 0.614 176.757 176.117 0.043 0.000 1.203 173 I CA 0.579 61.925 61.300 0.077 0.000 1.433 173 I CB 0.360 38.364 38.000 0.007 0.000 1.354 173 I HN 0.783 nan 8.210 nan 0.000 0.579 174 N N 7.436 126.142 118.700 0.010 0.000 3.103 174 N HA 0.212 4.952 4.740 -0.000 0.000 0.305 174 N C -1.313 174.107 175.510 -0.150 0.000 1.232 174 N CA -0.126 52.902 53.050 -0.037 0.000 1.190 174 N CB -0.281 38.198 38.487 -0.014 0.000 1.461 174 N HN 0.463 nan 8.380 nan 0.000 0.538 175 L N 0.497 121.621 121.223 -0.165 0.000 2.513 175 L HA 0.393 4.733 4.340 -0.000 0.000 0.261 175 L C -0.787 175.993 176.870 -0.150 0.000 0.945 175 L CA -0.595 54.080 54.840 -0.276 0.000 0.848 175 L CB 1.833 43.583 42.059 -0.514 0.000 1.334 175 L HN 0.244 nan 8.230 nan 0.000 0.407 176 Q N 2.519 122.256 119.800 -0.105 0.000 2.421 176 Q HA 0.146 4.486 4.340 -0.000 0.000 0.255 176 Q C 0.386 176.467 176.000 0.136 0.000 1.013 176 Q CA -0.137 55.673 55.803 0.012 0.000 0.895 176 Q CB 0.633 29.373 28.738 0.003 0.000 1.271 176 Q HN 0.608 nan 8.270 nan 0.000 0.460 177 N N 1.548 120.367 118.700 0.199 0.000 2.289 177 N HA -0.144 4.596 4.740 -0.000 0.000 0.184 177 N C 0.470 176.160 175.510 0.300 0.000 1.016 177 N CA 1.165 54.395 53.050 0.301 0.000 0.872 177 N CB 0.074 38.658 38.487 0.162 0.000 0.973 177 N HN 0.591 nan 8.380 nan 0.000 0.433 178 D N -1.069 119.457 120.400 0.210 0.000 2.388 178 D HA 0.033 4.673 4.640 -0.000 0.000 0.221 178 D C 0.327 176.746 176.300 0.197 0.000 1.133 178 D CA 0.095 54.203 54.000 0.181 0.000 0.831 178 D CB 0.091 40.958 40.800 0.111 0.000 0.962 178 D HN -0.028 nan 8.370 nan 0.000 0.502 179 K N -0.019 120.518 120.400 0.229 0.000 2.414 179 K HA 0.164 4.484 4.320 -0.000 0.000 0.204 179 K C 0.664 177.374 176.600 0.182 0.000 1.026 179 K CA -0.404 55.970 56.287 0.144 0.000 1.108 179 K CB -0.051 32.457 32.500 0.013 0.000 0.855 179 K HN 0.067 nan 8.250 nan 0.000 0.517 180 F N 2.836 122.855 119.950 0.115 0.000 2.186 180 F HA -0.182 4.344 4.527 -0.000 0.000 0.299 180 F C 2.178 178.055 175.800 0.127 0.000 1.090 180 F CA 1.561 59.646 58.000 0.141 0.000 1.307 180 F CB -0.305 38.750 39.000 0.093 0.000 1.019 180 F HN 0.163 nan 8.300 nan 0.000 0.489 181 D N 0.020 120.594 120.400 0.291 0.000 2.123 181 D HA -0.167 4.473 4.640 -0.000 0.000 0.200 181 D C 1.311 177.723 176.300 0.188 0.000 0.976 181 D CA 1.574 55.687 54.000 0.189 0.000 0.831 181 D CB -1.048 39.838 40.800 0.144 0.000 0.974 181 D HN 0.228 nan 8.370 nan 0.000 0.469 182 D N -0.021 120.500 120.400 0.201 0.000 2.104 182 D HA -0.152 4.488 4.640 -0.000 0.000 0.194 182 D C 1.668 178.155 176.300 0.312 0.000 0.994 182 D CA 0.974 55.104 54.000 0.216 0.000 0.830 182 D CB -0.477 40.423 40.800 0.167 0.000 0.959 182 D HN 0.140 nan 8.370 nan 0.000 0.452 183 F N 1.566 121.572 119.950 0.093 0.000 2.102 183 F HA -0.051 4.476 4.527 -0.000 0.000 0.298 183 F C 2.229 178.152 175.800 0.206 0.000 1.105 183 F CA 1.203 59.271 58.000 0.113 0.000 1.239 183 F CB -0.874 38.107 39.000 -0.032 0.000 0.991 183 F HN -0.038 nan 8.300 nan 0.000 0.474 184 A N 0.775 123.616 122.820 0.035 0.000 1.917 184 A HA -0.228 4.091 4.320 -0.000 0.000 0.219 184 A C 2.435 180.037 177.584 0.031 0.000 1.182 184 A CA 1.870 53.862 52.037 -0.075 0.000 0.633 184 A CB -0.773 18.215 19.000 -0.020 0.000 0.819 184 A HN 0.459 nan 8.150 nan 0.000 0.448 185 R N -2.071 118.512 120.500 0.138 0.000 2.092 185 R HA -0.104 4.236 4.340 -0.000 0.000 0.231 185 R C 2.025 178.479 176.300 0.256 0.000 1.119 185 R CA 1.485 57.686 56.100 0.169 0.000 0.970 185 R CB -0.500 29.912 30.300 0.188 0.000 0.864 185 R HN 0.649 nan 8.270 nan 0.000 0.440 186 F N 1.741 121.826 119.950 0.225 0.000 2.075 186 F HA -0.179 4.348 4.527 0.000 0.000 0.297 186 F C 1.869 177.850 175.800 0.301 0.000 1.113 186 F CA 1.462 59.668 58.000 0.343 0.000 1.218 186 F CB -0.426 38.787 39.000 0.355 0.000 0.984 186 F HN -0.122 nan 8.300 nan 0.000 0.472 187 L N -0.426 120.746 121.223 -0.085 0.000 2.042 187 L HA -0.225 4.115 4.340 -0.000 0.000 0.210 187 L C 2.413 179.249 176.870 -0.057 0.000 1.076 187 L CA 1.136 55.863 54.840 -0.187 0.000 0.749 187 L CB -0.924 41.013 42.059 -0.205 0.000 0.893 187 L HN 0.086 nan 8.230 nan 0.000 0.432 188 V N 0.099 119.999 119.914 -0.023 0.000 2.379 188 V HA -0.276 3.844 4.120 -0.000 0.000 0.245 188 V C 2.557 178.655 176.094 0.007 0.000 1.044 188 V CA 1.960 64.255 62.300 -0.007 0.000 1.036 188 V CB -0.440 31.378 31.823 -0.008 0.000 0.664 188 V HN 0.442 nan 8.190 nan 0.000 0.453 189 K N 0.241 120.657 120.400 0.027 0.000 2.103 189 K HA -0.175 4.145 4.320 -0.000 0.000 0.207 189 K C 2.237 178.865 176.600 0.047 0.000 1.048 189 K CA 1.973 58.263 56.287 0.005 0.000 0.930 189 K CB -0.266 32.212 32.500 -0.036 0.000 0.716 189 K HN 0.418 nan 8.250 nan 0.000 0.444 190 S N 0.488 116.266 115.700 0.129 0.000 2.356 190 S HA -0.121 4.349 4.470 -0.000 0.000 0.223 190 S C 2.082 176.935 174.600 0.421 0.000 1.032 190 S CA 1.111 59.501 58.200 0.316 0.000 1.005 190 S CB -0.435 62.949 63.200 0.307 0.000 0.867 190 S HN 0.554 nan 8.310 nan 0.000 0.449 191 A N 1.242 124.233 122.820 0.286 0.000 1.908 191 A HA -0.232 4.088 4.320 -0.000 0.000 0.218 191 A C 2.122 179.700 177.584 -0.010 0.000 1.181 191 A CA 1.907 53.965 52.037 0.034 0.000 0.627 191 A CB -0.781 18.140 19.000 -0.132 0.000 0.818 191 A HN 0.566 nan 8.150 nan 0.000 0.445 192 Q N -1.382 118.399 119.800 -0.032 0.000 2.079 192 Q HA -0.268 4.072 4.340 -0.000 0.000 0.200 192 Q C 1.967 177.868 176.000 -0.166 0.000 0.974 192 Q CA 1.960 57.709 55.803 -0.089 0.000 0.840 192 Q CB -0.286 28.403 28.738 -0.083 0.000 0.898 192 Q HN 0.893 nan 8.270 nan 0.000 0.430 193 H N -0.602 118.252 119.070 -0.359 0.000 2.289 193 H HA -0.193 4.363 4.556 -0.000 0.000 0.296 193 H C 1.399 176.347 175.328 -0.633 0.000 1.091 193 H CA 2.511 58.130 56.048 -0.715 0.000 1.274 193 H CB -0.390 28.427 29.762 -1.575 0.000 1.364 193 H HN 0.308 nan 8.280 nan 0.000 0.490 194 F N 0.193 119.982 119.950 -0.268 0.000 2.325 194 F HA 0.019 4.546 4.527 -0.000 0.000 0.299 194 F C 2.630 178.388 175.800 -0.070 0.000 1.090 194 F CA 0.872 58.795 58.000 -0.127 0.000 1.392 194 F CB -0.112 38.914 39.000 0.044 0.000 1.053 194 F HN 0.084 nan 8.300 nan 0.000 0.521 195 R N 0.459 120.958 120.500 -0.002 0.000 2.081 195 R HA -0.158 4.182 4.340 -0.000 0.000 0.235 195 R C 1.790 178.027 176.300 -0.105 0.000 1.131 195 R CA 1.611 57.696 56.100 -0.025 0.000 0.960 195 R CB -0.536 29.734 30.300 -0.050 0.000 0.856 195 R HN 0.374 nan 8.270 nan 0.000 0.436 196 E N 0.439 120.514 120.200 -0.208 0.000 2.418 196 E HA -0.113 4.237 4.350 -0.000 0.000 0.197 196 E C 1.426 177.856 176.600 -0.283 0.000 1.026 196 E CA 0.486 56.740 56.400 -0.243 0.000 0.862 196 E CB 0.216 29.754 29.700 -0.270 0.000 0.799 196 E HN 0.317 nan 8.360 nan 0.000 0.518 197 Q N -0.592 119.018 119.800 -0.316 0.000 2.320 197 Q HA 0.088 4.428 4.340 -0.000 0.000 0.201 197 Q C 0.924 176.696 176.000 -0.380 0.000 0.910 197 Q CA 0.609 56.245 55.803 -0.278 0.000 0.946 197 Q CB 1.370 30.012 28.738 -0.159 0.000 1.062 197 Q HN 0.386 nan 8.270 nan 0.000 0.503 198 G N 1.086 109.698 108.800 -0.313 0.000 2.141 198 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.231 198 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.231 198 G C -0.288 174.296 174.900 -0.528 0.000 0.984 198 G CA -0.388 44.471 45.100 -0.401 0.000 0.660 198 G HN 0.268 nan 8.290 nan 0.000 0.525 199 F N 1.008 120.901 119.950 -0.094 0.000 2.415 199 F HA 0.487 5.014 4.527 0.000 0.000 0.348 199 F C 1.059 176.889 175.800 0.050 0.000 1.119 199 F CA -0.797 57.157 58.000 -0.076 0.000 1.069 199 F CB 0.892 39.770 39.000 -0.204 0.000 1.124 199 F HN 0.136 nan 8.300 nan 0.000 0.472 200 H N 2.655 121.914 119.070 0.314 0.000 3.092 200 H HA 0.243 4.798 4.556 -0.000 0.000 0.263 200 H C -0.477 174.938 175.328 0.145 0.000 1.611 200 H CA -0.733 55.393 56.048 0.130 0.000 1.457 200 H CB 0.126 29.916 29.762 0.047 0.000 1.731 200 H HN 0.294 nan 8.280 nan 0.000 0.532 201 V N 3.594 123.565 119.914 0.095 0.000 2.381 201 V HA -0.070 4.050 4.120 -0.000 0.000 0.257 201 V C 0.768 176.746 176.094 -0.193 0.000 1.057 201 V CA -0.115 62.092 62.300 -0.154 0.000 1.013 201 V CB 0.225 31.675 31.823 -0.621 0.000 1.069 201 V HN 0.808 nan 8.190 nan 0.000 0.484 202 N N 3.343 121.910 118.700 -0.222 0.000 2.325 202 N HA 0.122 4.862 4.740 -0.000 0.000 0.182 202 N C -0.428 174.587 175.510 -0.826 0.000 1.088 202 N CA 0.503 53.205 53.050 -0.580 0.000 0.879 202 N CB 0.544 38.544 38.487 -0.812 0.000 0.983 202 N HN 0.663 nan 8.380 nan 0.000 0.471 203 Y N -0.378 119.868 120.300 -0.090 0.000 2.534 203 Y HA 0.566 5.116 4.550 -0.000 0.000 0.345 203 Y C -0.541 175.361 175.900 0.004 0.000 1.031 203 Y CA -0.868 57.186 58.100 -0.076 0.000 1.022 203 Y CB 1.917 40.341 38.460 -0.060 0.000 1.292 203 Y HN -0.294 nan 8.280 nan 0.000 0.459 204 I N 1.690 122.366 120.570 0.177 0.000 2.447 204 I HA 0.344 4.514 4.170 -0.000 0.000 0.287 204 I C -0.664 175.547 176.117 0.156 0.000 1.023 204 I CA -0.542 60.855 61.300 0.163 0.000 1.083 204 I CB 2.082 40.123 38.000 0.068 0.000 1.245 204 I HN 0.547 nan 8.210 nan 0.000 0.434 205 S N 7.860 123.682 115.700 0.203 0.000 2.528 205 S HA 0.429 4.899 4.470 -0.000 0.000 0.303 205 S C -1.625 173.076 174.600 0.168 0.000 1.123 205 S CA -1.551 56.756 58.200 0.178 0.000 1.138 205 S CB 0.780 64.106 63.200 0.211 0.000 0.984 205 S HN 0.432 nan 8.310 nan 0.000 0.474 206 P HA 0.079 nan 4.420 nan 0.000 0.227 206 P C -0.519 176.881 177.300 0.167 0.000 1.161 206 P CA 0.504 63.644 63.100 0.067 0.000 0.788 206 P CB 0.026 31.694 31.700 -0.053 0.000 0.822 207 N N -0.291 118.483 118.700 0.123 0.000 2.249 207 N HA 0.312 5.052 4.740 -0.000 0.000 0.296 207 N C -1.127 174.425 175.510 0.070 0.000 1.051 207 N CA -0.533 52.570 53.050 0.088 0.000 0.815 207 N CB 1.029 39.544 38.487 0.046 0.000 1.487 207 N HN -0.169 nan 8.380 nan 0.000 0.475 208 N N 0.628 119.351 118.700 0.038 0.000 2.372 208 N HA 0.211 4.950 4.740 -0.000 0.000 0.291 208 N C -1.076 174.467 175.510 0.055 0.000 1.024 208 N CA -0.408 52.668 53.050 0.043 0.000 0.873 208 N CB 0.891 39.401 38.487 0.038 0.000 1.206 208 N HN 0.480 nan 8.380 nan 0.000 0.486 209 E N 1.477 121.722 120.200 0.074 0.000 2.106 209 E HA -0.181 4.169 4.350 -0.000 0.000 0.175 209 E C -1.673 175.076 176.600 0.248 0.000 1.448 209 E CA 0.101 56.597 56.400 0.159 0.000 0.672 209 E CB -0.521 29.417 29.700 0.397 0.000 1.057 209 E HN 0.636 nan 8.360 nan 0.000 0.321 210 P HA -0.199 nan 4.420 nan 0.000 0.230 210 P C 0.932 178.156 177.300 -0.127 0.000 1.158 210 P CA 1.041 64.118 63.100 -0.038 0.000 0.769 210 P CB -0.006 31.601 31.700 -0.154 0.000 0.807 211 N N 0.340 118.937 118.700 -0.170 0.000 2.364 211 N HA -0.078 4.662 4.740 -0.000 0.000 0.183 211 N C 1.106 176.637 175.510 0.036 0.000 1.022 211 N CA 0.582 53.471 53.050 -0.269 0.000 0.883 211 N CB -1.011 36.823 38.487 -1.088 0.000 0.965 211 N HN 0.008 nan 8.380 nan 0.000 0.438 212 G N 0.543 109.397 108.800 0.091 0.000 2.467 212 G HA2 0.041 4.001 3.960 -0.000 0.000 0.257 212 G HA3 0.041 4.001 3.960 -0.000 0.000 0.257 212 G C -0.484 174.328 174.900 -0.146 0.000 1.227 212 G CA -0.501 44.476 45.100 -0.206 0.000 0.835 212 G HN 0.316 nan 8.290 nan 0.000 0.556 213 Q N 1.734 121.351 119.800 -0.305 0.000 2.837 213 Q HA 0.089 4.429 4.340 -0.000 0.000 0.235 213 Q C 0.192 176.004 176.000 -0.313 0.000 1.348 213 Q CA -0.463 55.206 55.803 -0.223 0.000 0.990 213 Q CB 0.015 28.601 28.738 -0.253 0.000 1.570 213 Q HN 0.753 nan 8.270 nan 0.000 0.575 214 W N 0.814 122.158 121.300 0.073 0.000 2.519 214 W HA -0.157 4.503 4.660 -0.000 0.000 0.266 214 W C 2.231 178.777 176.519 0.045 0.000 1.253 214 W CA 0.827 58.212 57.345 0.067 0.000 1.274 214 W CB 0.088 29.616 29.460 0.114 0.000 1.114 214 W HN 0.720 nan 8.180 nan 0.000 0.596 215 H N -0.890 118.298 119.070 0.196 0.000 2.521 215 H HA 0.114 4.670 4.556 -0.000 0.000 0.286 215 H C 1.739 177.110 175.328 0.072 0.000 1.034 215 H CA 1.383 57.502 56.048 0.120 0.000 1.278 215 H CB -0.633 29.169 29.762 0.067 0.000 1.386 215 H HN 0.123 nan 8.280 nan 0.000 0.567 216 A N 0.716 123.282 122.820 -0.424 0.000 2.252 216 A HA -0.007 4.313 4.320 -0.000 0.000 0.207 216 A C 0.582 178.120 177.584 -0.077 0.000 1.194 216 A CA 0.172 52.045 52.037 -0.273 0.000 0.809 216 A CB -0.347 18.441 19.000 -0.354 0.000 0.814 216 A HN 0.431 nan 8.150 nan 0.000 0.482 217 N N -0.280 118.442 118.700 0.037 0.000 2.480 217 N HA 0.166 4.906 4.740 -0.000 0.000 0.289 217 N C -0.074 175.556 175.510 0.200 0.000 1.073 217 N CA 0.393 53.522 53.050 0.133 0.000 0.885 217 N CB 1.651 40.247 38.487 0.181 0.000 1.421 217 N HN 0.019 nan 8.380 nan 0.000 0.503 218 S N 2.445 118.247 115.700 0.171 0.000 2.593 218 S HA 0.106 4.576 4.470 -0.000 0.000 0.236 218 S C 0.985 175.683 174.600 0.163 0.000 0.991 218 S CA -0.478 57.808 58.200 0.144 0.000 0.963 218 S CB -0.528 62.727 63.200 0.093 0.000 0.865 218 S HN 0.442 nan 8.310 nan 0.000 0.488 219 F N 2.713 122.695 119.950 0.052 0.000 2.699 219 F HA 0.372 4.899 4.527 -0.000 0.000 0.298 219 F C 0.671 176.444 175.800 -0.043 0.000 1.154 219 F CA 0.472 58.472 58.000 0.001 0.000 1.457 219 F CB 0.045 39.055 39.000 0.017 0.000 1.106 219 F HN 0.362 nan 8.300 nan 0.000 0.585 220 Q N 0.643 120.434 119.800 -0.015 0.000 2.617 220 Q HA 0.104 4.444 4.340 -0.000 0.000 0.270 220 Q C -1.172 174.881 176.000 0.087 0.000 0.967 220 Q CA -0.713 55.093 55.803 0.004 0.000 0.887 220 Q CB 1.388 30.301 28.738 0.291 0.000 1.516 220 Q HN 0.198 nan 8.270 nan 0.000 0.395 221 E N 0.254 120.484 120.200 0.050 0.000 2.413 221 E HA 0.474 4.824 4.350 -0.000 0.000 0.263 221 E C -0.050 176.427 176.600 -0.204 0.000 1.015 221 E CA 0.529 56.912 56.400 -0.028 0.000 0.916 221 E CB 0.852 30.541 29.700 -0.019 0.000 0.947 221 E HN 0.661 nan 8.360 nan 0.000 0.440 222 G N 0.400 109.038 108.800 -0.269 0.000 2.489 222 G HA2 0.408 4.368 3.960 -0.000 0.000 0.291 222 G HA3 0.408 4.368 3.960 -0.000 0.000 0.291 222 G C -1.495 173.202 174.900 -0.338 0.000 1.487 222 G CA -0.485 44.207 45.100 -0.680 0.000 0.795 222 G HN 0.365 nan 8.290 nan 0.000 0.513 223 S N -0.598 114.842 115.700 -0.434 0.000 2.562 223 S HA 0.564 5.034 4.470 -0.000 0.000 0.274 223 S C -0.909 173.837 174.600 0.243 0.000 1.160 223 S CA -0.645 57.562 58.200 0.012 0.000 0.933 223 S CB 0.796 63.980 63.200 -0.028 0.000 1.100 223 S HN 1.343 nan 8.310 nan 0.000 0.468 224 F N 4.408 124.568 119.950 0.350 0.000 2.589 224 F HA 0.502 5.029 4.527 -0.000 0.000 0.352 224 F C 0.215 176.095 175.800 0.133 0.000 1.168 224 F CA 1.050 59.209 58.000 0.265 0.000 1.353 224 F CB 0.395 39.520 39.000 0.208 0.000 1.116 224 F HN 0.753 nan 8.300 nan 0.000 0.608 225 A N 3.095 125.413 122.820 -0.837 0.000 2.589 225 A HA 0.575 4.895 4.320 -0.000 0.000 0.296 225 A C -0.465 176.624 177.584 -0.825 0.000 1.062 225 A CA -0.230 51.435 52.037 -0.619 0.000 0.686 225 A CB 0.762 19.636 19.000 -0.210 0.000 1.282 225 A HN 0.984 nan 8.150 nan 0.000 0.404 226 T N -0.841 113.444 114.554 -0.449 0.000 2.881 226 T HA 0.407 4.757 4.350 -0.000 0.000 0.278 226 T C 0.880 175.426 174.700 -0.255 0.000 0.982 226 T CA -0.212 61.712 62.100 -0.294 0.000 0.989 226 T CB 0.868 69.680 68.868 -0.094 0.000 1.058 226 T HN 0.599 nan 8.240 nan 0.000 0.529 227 K N 0.410 120.616 120.400 -0.322 0.000 2.147 227 K HA -0.045 4.274 4.320 -0.000 0.000 0.205 227 K C 2.559 178.764 176.600 -0.659 0.000 1.049 227 K CA 1.187 57.191 56.287 -0.473 0.000 0.936 227 K CB -0.583 31.573 32.500 -0.573 0.000 0.722 227 K HN 0.709 nan 8.250 nan 0.000 0.446 228 A N 2.143 124.543 122.820 -0.700 0.000 1.902 228 A HA -0.218 4.102 4.320 -0.000 0.000 0.217 228 A C 1.615 179.170 177.584 -0.049 0.000 1.181 228 A CA 1.886 53.730 52.037 -0.322 0.000 0.623 228 A CB -0.377 18.580 19.000 -0.072 0.000 0.818 228 A HN 0.190 nan 8.150 nan 0.000 0.443 229 D N 0.219 120.617 120.400 -0.004 0.000 2.097 229 D HA -0.134 4.506 4.640 -0.000 0.000 0.195 229 D C 1.989 178.412 176.300 0.206 0.000 0.989 229 D CA 1.199 55.322 54.000 0.205 0.000 0.827 229 D CB -0.453 40.447 40.800 0.167 0.000 0.966 229 D HN 0.459 nan 8.370 nan 0.000 0.456 230 L N -0.209 121.045 121.223 0.053 0.000 2.046 230 L HA -0.208 4.132 4.340 -0.000 0.000 0.208 230 L C 2.558 179.460 176.870 0.053 0.000 1.077 230 L CA 1.087 55.951 54.840 0.041 0.000 0.747 230 L CB -0.532 41.517 42.059 -0.017 0.000 0.896 230 L HN 0.073 nan 8.230 nan 0.000 0.432 231 Y N 0.786 121.054 120.300 -0.052 0.000 2.181 231 Y HA -0.255 4.295 4.550 -0.000 0.000 0.288 231 Y C 2.819 178.689 175.900 -0.048 0.000 1.146 231 Y CA 1.511 59.606 58.100 -0.009 0.000 1.164 231 Y CB -0.061 38.468 38.460 0.114 0.000 0.982 231 Y HN -0.026 nan 8.280 nan 0.000 0.515 232 R N -0.883 119.701 120.500 0.140 0.000 2.081 232 R HA -0.173 4.167 4.340 -0.000 0.000 0.235 232 R C 2.168 178.482 176.300 0.023 0.000 1.131 232 R CA 1.614 57.707 56.100 -0.011 0.000 0.960 232 R CB -0.282 29.805 30.300 -0.356 0.000 0.856 232 R HN 0.365 nan 8.270 nan 0.000 0.436 233 M N 0.220 119.926 119.600 0.177 0.000 2.117 233 M HA -0.131 4.349 4.480 -0.000 0.000 0.262 233 M C 2.355 178.584 176.300 -0.119 0.000 1.065 233 M CA 1.417 56.791 55.300 0.124 0.000 1.114 233 M CB -0.715 31.966 32.600 0.135 0.000 1.361 233 M HN -0.029 nan 8.290 nan 0.000 0.408 234 V N 0.124 119.888 119.914 -0.251 0.000 2.287 234 V HA -0.279 3.841 4.120 -0.000 0.000 0.248 234 V C 2.366 177.985 176.094 -0.792 0.000 1.053 234 V CA 2.184 64.205 62.300 -0.466 0.000 1.027 234 V CB -0.859 30.659 31.823 -0.508 0.000 0.646 234 V HN 0.527 nan 8.190 nan 0.000 0.447 235 E N -0.070 119.542 120.200 -0.981 0.000 2.058 235 E HA -0.255 4.095 4.350 -0.000 0.000 0.194 235 E C 2.220 178.578 176.600 -0.404 0.000 0.997 235 E CA 1.529 57.338 56.400 -0.985 0.000 0.801 235 E CB -0.049 29.320 29.700 -0.553 0.000 0.746 235 E HN 0.571 nan 8.360 nan 0.000 0.450 236 E N 0.553 120.626 120.200 -0.212 0.000 2.072 236 E HA -0.148 4.202 4.350 -0.000 0.000 0.191 236 E C 2.355 178.905 176.600 -0.084 0.000 0.985 236 E CA 0.618 56.977 56.400 -0.069 0.000 0.801 236 E CB -0.266 29.466 29.700 0.053 0.000 0.750 236 E HN 0.384 nan 8.360 nan 0.000 0.452 237 L N 0.929 122.073 121.223 -0.132 0.000 2.046 237 L HA -0.227 4.113 4.340 -0.000 0.000 0.208 237 L C 2.369 179.172 176.870 -0.110 0.000 1.077 237 L CA 1.568 56.337 54.840 -0.118 0.000 0.747 237 L CB -0.354 41.624 42.059 -0.135 0.000 0.896 237 L HN 0.101 nan 8.230 nan 0.000 0.432 238 D N 0.066 120.361 120.400 -0.174 0.000 2.106 238 D HA -0.294 4.346 4.640 -0.000 0.000 0.191 238 D C 2.219 178.499 176.300 -0.034 0.000 0.997 238 D CA 1.699 55.636 54.000 -0.104 0.000 0.834 238 D CB 0.041 40.751 40.800 -0.151 0.000 0.956 238 D HN 0.090 nan 8.370 nan 0.000 0.448 239 K N -0.330 120.049 120.400 -0.034 0.000 2.026 239 K HA -0.133 4.187 4.320 -0.000 0.000 0.208 239 K C 2.084 178.686 176.600 0.004 0.000 1.048 239 K CA 1.271 57.561 56.287 0.006 0.000 0.929 239 K CB -0.267 32.241 32.500 0.014 0.000 0.713 239 K HN 0.175 nan 8.250 nan 0.000 0.439 240 A N 1.279 124.095 122.820 -0.006 0.000 1.933 240 A HA -0.128 4.192 4.320 -0.000 0.000 0.218 240 A C 2.080 179.660 177.584 -0.008 0.000 1.175 240 A CA 1.438 53.477 52.037 0.003 0.000 0.628 240 A CB -0.536 18.468 19.000 0.006 0.000 0.814 240 A HN 0.371 nan 8.150 nan 0.000 0.444 241 I N -0.432 120.125 120.570 -0.021 0.000 2.315 241 I HA -0.196 3.974 4.170 -0.000 0.000 0.248 241 I C 2.598 178.703 176.117 -0.019 0.000 1.117 241 I CA 1.267 62.550 61.300 -0.027 0.000 1.404 241 I CB -0.134 37.845 38.000 -0.035 0.000 1.071 241 I HN 0.225 nan 8.210 nan 0.000 0.419 242 S N 0.160 115.856 115.700 -0.007 0.000 2.371 242 S HA -0.166 4.304 4.470 -0.000 0.000 0.224 242 S C 1.870 176.469 174.600 -0.002 0.000 1.029 242 S CA 1.145 59.345 58.200 -0.000 0.000 0.978 242 S CB -0.172 63.036 63.200 0.014 0.000 0.833 242 S HN 0.430 nan 8.310 nan 0.000 0.466 243 E N 1.150 121.352 120.200 0.003 0.000 2.077 243 E HA -0.095 4.255 4.350 -0.000 0.000 0.193 243 E C 2.174 178.771 176.600 -0.005 0.000 0.989 243 E CA 1.081 57.484 56.400 0.004 0.000 0.800 243 E CB -0.186 29.522 29.700 0.013 0.000 0.746 243 E HN 0.501 nan 8.360 nan 0.000 0.452 244 A N 0.392 123.206 122.820 -0.011 0.000 2.016 244 A HA -0.138 4.182 4.320 -0.000 0.000 0.217 244 A C 0.712 178.278 177.584 -0.031 0.000 1.162 244 A CA 0.589 52.612 52.037 -0.022 0.000 0.662 244 A CB -0.122 18.862 19.000 -0.027 0.000 0.812 244 A HN 0.252 nan 8.150 nan 0.000 0.450 245 Q N -0.853 118.930 119.800 -0.029 0.000 2.451 245 Q HA -0.191 4.149 4.340 -0.000 0.000 0.305 245 Q C -0.256 175.714 176.000 -0.050 0.000 1.345 245 Q CA 0.793 56.575 55.803 -0.035 0.000 0.854 245 Q CB -1.945 26.774 28.738 -0.031 0.000 1.162 245 Q HN 0.916 nan 8.270 nan 0.000 0.440 246 I N -3.315 117.221 120.570 -0.057 0.000 2.488 246 I HA 0.423 4.593 4.170 -0.000 0.000 0.299 246 I C 0.414 176.479 176.117 -0.087 0.000 0.984 246 I CA -0.748 60.507 61.300 -0.075 0.000 1.250 246 I CB 1.246 39.198 38.000 -0.081 0.000 1.389 246 I HN -0.161 nan 8.210 nan 0.000 0.488 247 D N 4.345 124.680 120.400 -0.108 0.000 2.688 247 D HA 0.223 4.863 4.640 -0.000 0.000 0.228 247 D C -0.788 175.407 176.300 -0.175 0.000 1.116 247 D CA 0.241 54.163 54.000 -0.131 0.000 1.023 247 D CB -0.092 40.621 40.800 -0.146 0.000 1.100 247 D HN 0.696 nan 8.370 nan 0.000 0.487 248 T N 1.365 115.824 114.554 -0.158 0.000 2.912 248 T HA 0.450 4.800 4.350 -0.000 0.000 0.299 248 T C -0.198 174.414 174.700 -0.146 0.000 1.052 248 T CA -0.832 61.151 62.100 -0.195 0.000 0.996 248 T CB 2.144 70.918 68.868 -0.157 0.000 1.070 248 T HN 0.002 nan 8.240 nan 0.000 0.465 249 K N 1.419 121.718 120.400 -0.168 0.000 2.340 249 K HA 0.683 5.003 4.320 -0.000 0.000 0.244 249 K C -0.859 175.775 176.600 0.057 0.000 0.973 249 K CA -0.897 55.368 56.287 -0.037 0.000 0.828 249 K CB 2.140 34.632 32.500 -0.013 0.000 1.226 249 K HN 0.446 nan 8.250 nan 0.000 0.437 250 I N 2.524 123.156 120.570 0.104 0.000 2.336 250 I HA 0.236 4.406 4.170 -0.000 0.000 0.292 250 I C -0.908 175.304 176.117 0.158 0.000 0.991 250 I CA -0.833 60.521 61.300 0.091 0.000 1.227 250 I CB 1.007 39.015 38.000 0.013 0.000 1.366 250 I HN 0.228 nan 8.210 nan 0.000 0.466 251 L N 9.088 130.395 121.223 0.140 0.000 2.333 251 L HA 0.739 5.079 4.340 -0.000 0.000 0.280 251 L C -0.545 176.372 176.870 0.080 0.000 1.004 251 L CA -0.280 54.628 54.840 0.114 0.000 0.820 251 L CB 1.215 43.318 42.059 0.073 0.000 1.247 251 L HN 0.591 nan 8.230 nan 0.000 0.416 252 I N 2.195 122.817 120.570 0.088 0.000 3.279 252 I HA 0.700 4.870 4.170 -0.000 0.000 0.315 252 I C -2.363 173.805 176.117 0.086 0.000 1.187 252 I CA -1.626 59.731 61.300 0.096 0.000 0.953 252 I CB 2.373 40.446 38.000 0.120 0.000 1.279 252 I HN 0.370 nan 8.210 nan 0.000 0.465 253 P HA 0.124 nan 4.420 nan 0.000 0.264 253 P C -0.436 176.843 177.300 -0.034 0.000 1.259 253 P CA 0.403 63.525 63.100 0.037 0.000 0.841 253 P CB 0.247 31.979 31.700 0.054 0.000 1.232 254 E N -0.568 119.584 120.200 -0.080 0.000 2.476 254 E HA -0.118 4.232 4.350 -0.000 0.000 0.251 254 E C 0.375 176.713 176.600 -0.437 0.000 1.130 254 E CA 0.576 56.843 56.400 -0.221 0.000 0.736 254 E CB -2.478 27.201 29.700 -0.035 0.000 1.298 254 E HN 0.314 nan 8.360 nan 0.000 0.400 255 V N -2.484 117.264 119.914 -0.276 0.000 2.673 255 V HA 0.292 4.412 4.120 -0.000 0.000 0.303 255 V C 1.838 177.785 176.094 -0.244 0.000 1.046 255 V CA 0.738 62.919 62.300 -0.199 0.000 1.126 255 V CB 1.490 33.297 31.823 -0.027 0.000 0.934 255 V HN 0.209 nan 8.190 nan 0.000 0.487 256 G N 2.180 110.943 108.800 -0.062 0.000 2.471 256 G HA2 -0.067 3.893 3.960 -0.000 0.000 0.219 256 G HA3 -0.067 3.893 3.960 -0.000 0.000 0.219 256 G C 0.418 175.558 174.900 0.400 0.000 1.125 256 G CA 0.919 46.130 45.100 0.185 0.000 0.775 256 G HN 0.902 nan 8.290 nan 0.000 0.548 257 D N -1.331 119.315 120.400 0.409 0.000 2.964 257 D HA 0.302 4.942 4.640 -0.000 0.000 0.234 257 D C 1.174 177.701 176.300 0.379 0.000 1.223 257 D CA -0.637 53.654 54.000 0.485 0.000 0.889 257 D CB 1.547 42.702 40.800 0.592 0.000 1.609 257 D HN -0.084 nan 8.370 nan 0.000 0.523 258 M N 2.358 122.126 119.600 0.280 0.000 2.539 258 M HA -0.131 4.349 4.480 -0.000 0.000 0.261 258 M C 1.939 178.350 176.300 0.186 0.000 1.069 258 M CA 1.059 56.479 55.300 0.199 0.000 1.081 258 M CB 0.054 32.757 32.600 0.173 0.000 1.412 258 M HN 0.383 nan 8.290 nan 0.000 0.482 259 K N -0.296 120.223 120.400 0.199 0.000 2.211 259 K HA -0.153 4.167 4.320 -0.000 0.000 0.203 259 K C 1.047 177.664 176.600 0.028 0.000 1.050 259 K CA 1.350 57.722 56.287 0.141 0.000 0.945 259 K CB -0.490 32.005 32.500 -0.008 0.000 0.732 259 K HN 0.281 nan 8.250 nan 0.000 0.451 260 Y N 1.722 122.083 120.300 0.102 0.000 2.639 260 Y HA 0.035 4.585 4.550 -0.000 0.000 0.297 260 Y C 1.747 177.619 175.900 -0.047 0.000 1.151 260 Y CA 0.480 58.612 58.100 0.055 0.000 1.335 260 Y CB -0.138 38.357 38.460 0.059 0.000 0.994 260 Y HN -0.020 nan 8.280 nan 0.000 0.548 261 L N -1.367 119.785 121.223 -0.118 0.000 2.376 261 L HA -0.044 4.296 4.340 -0.000 0.000 0.219 261 L C -0.276 176.205 176.870 -0.648 0.000 1.133 261 L CA 0.502 55.061 54.840 -0.468 0.000 0.816 261 L CB -0.232 41.354 42.059 -0.789 0.000 0.933 261 L HN 0.053 nan 8.230 nan 0.000 0.449 262 F N -1.578 118.429 119.950 0.095 0.000 2.618 262 F HA 0.369 4.896 4.527 -0.000 0.000 0.332 262 F C 0.469 176.301 175.800 0.053 0.000 1.061 262 F CA -1.361 56.686 58.000 0.078 0.000 0.974 262 F CB 0.747 39.771 39.000 0.040 0.000 1.310 262 F HN -0.286 nan 8.300 nan 0.000 0.491 263 E N 1.189 121.525 120.200 0.226 0.000 2.316 263 E HA 0.314 4.664 4.350 -0.000 0.000 0.275 263 E C 0.180 176.831 176.600 0.085 0.000 1.029 263 E CA 0.051 56.526 56.400 0.125 0.000 0.871 263 E CB 0.597 30.345 29.700 0.081 0.000 1.022 263 E HN 0.699 nan 8.360 nan 0.000 0.418 264 I N 0.140 120.740 120.570 0.050 0.000 4.655 264 I HA 0.330 4.500 4.170 -0.000 0.000 0.333 264 I C -0.304 175.816 176.117 0.005 0.000 1.312 264 I CA -0.485 60.814 61.300 -0.002 0.000 1.270 264 I CB 0.534 38.474 38.000 -0.100 0.000 1.318 264 I HN 0.318 nan 8.210 nan 0.000 0.456 265 D N -0.045 120.378 120.400 0.037 0.000 2.867 265 D HA 0.360 5.000 4.640 -0.000 0.000 0.308 265 D C -0.181 176.148 176.300 0.049 0.000 1.202 265 D CA -0.582 53.443 54.000 0.041 0.000 1.035 265 D CB 0.896 41.730 40.800 0.056 0.000 1.427 265 D HN -0.158 nan 8.370 nan 0.000 0.570 266 S N -1.141 114.587 115.700 0.046 0.000 2.602 266 S HA 0.344 4.814 4.470 -0.000 0.000 0.240 266 S C 0.225 174.859 174.600 0.056 0.000 0.992 266 S CA -0.437 57.789 58.200 0.045 0.000 0.971 266 S CB -0.495 62.723 63.200 0.030 0.000 0.855 266 S HN 0.326 nan 8.310 nan 0.000 0.481 267 I N 2.104 122.718 120.570 0.073 0.000 2.301 267 I HA 0.248 4.418 4.170 -0.000 0.000 0.292 267 I C 1.454 177.636 176.117 0.108 0.000 1.046 267 I CA -0.577 60.774 61.300 0.084 0.000 1.282 267 I CB 1.180 39.233 38.000 0.089 0.000 1.409 267 I HN 0.178 nan 8.210 nan 0.000 0.484 268 A N 7.450 130.328 122.820 0.098 0.000 1.917 268 A HA -0.245 4.075 4.320 -0.000 0.000 0.219 268 A C 2.245 179.913 177.584 0.139 0.000 1.182 268 A CA 2.113 54.216 52.037 0.110 0.000 0.633 268 A CB -0.440 18.616 19.000 0.094 0.000 0.819 268 A HN 0.879 nan 8.150 nan 0.000 0.448 269 K N -0.894 119.602 120.400 0.161 0.000 2.283 269 K HA -0.021 4.299 4.320 -0.000 0.000 0.202 269 K C 0.046 176.819 176.600 0.287 0.000 1.048 269 K CA 1.156 57.580 56.287 0.229 0.000 0.948 269 K CB -0.777 31.891 32.500 0.280 0.000 0.742 269 K HN 0.223 nan 8.250 nan 0.000 0.458 270 T N 5.196 119.910 114.554 0.267 0.000 2.831 270 T HA 0.046 4.396 4.350 -0.000 0.000 0.291 270 T C -2.219 172.588 174.700 0.179 0.000 0.981 270 T CA -0.970 61.301 62.100 0.286 0.000 1.174 270 T CB 0.922 69.958 68.868 0.280 0.000 0.929 270 T HN 0.223 nan 8.240 nan 0.000 0.532 271 P HA 0.117 nan 4.420 nan 0.000 0.225 271 P C -0.301 177.088 177.300 0.149 0.000 1.768 271 P CA -0.325 62.782 63.100 0.012 0.000 0.943 271 P CB -0.192 31.419 31.700 -0.149 0.000 1.936 272 D N -0.884 119.668 120.400 0.253 0.000 2.539 272 D HA 0.097 4.737 4.640 -0.000 0.000 0.276 272 D C 0.430 176.841 176.300 0.184 0.000 1.206 272 D CA -0.609 53.568 54.000 0.295 0.000 1.081 272 D CB -0.340 40.625 40.800 0.274 0.000 1.142 272 D HN -0.117 nan 8.370 nan 0.000 0.595 273 D N -1.773 118.723 120.400 0.160 0.000 2.811 273 D HA -0.162 4.478 4.640 -0.000 0.000 0.231 273 D C 1.015 177.407 176.300 0.153 0.000 1.157 273 D CA 0.315 54.406 54.000 0.153 0.000 0.716 273 D CB -0.691 40.199 40.800 0.150 0.000 1.077 273 D HN 0.359 nan 8.370 nan 0.000 0.428 274 I N 0.152 120.794 120.570 0.120 0.000 2.163 274 I HA -0.276 3.894 4.170 -0.000 0.000 0.243 274 I C 2.591 178.853 176.117 0.240 0.000 1.085 274 I CA 1.199 62.599 61.300 0.167 0.000 1.347 274 I CB -0.864 37.217 38.000 0.136 0.000 1.044 274 I HN 0.343 nan 8.210 nan 0.000 0.408 275 I N -0.144 120.494 120.570 0.113 0.000 2.127 275 I HA -0.350 3.819 4.170 -0.000 0.000 0.241 275 I C 2.717 178.949 176.117 0.192 0.000 1.075 275 I CA 1.545 62.928 61.300 0.139 0.000 1.334 275 I CB -0.636 37.340 38.000 -0.039 0.000 1.040 275 I HN 0.299 nan 8.210 nan 0.000 0.405 276 H N -0.877 118.243 119.070 0.083 0.000 2.403 276 H HA -0.053 4.503 4.556 -0.000 0.000 0.298 276 H C 2.533 177.896 175.328 0.058 0.000 1.059 276 H CA 1.605 57.589 56.048 -0.107 0.000 1.363 276 H CB 0.095 29.690 29.762 -0.277 0.000 1.410 276 H HN 0.252 nan 8.280 nan 0.000 0.528 277 S N -0.245 115.587 115.700 0.220 0.000 2.414 277 S HA -0.005 4.465 4.470 -0.000 0.000 0.227 277 S C 1.950 176.669 174.600 0.198 0.000 1.022 277 S CA 0.644 58.966 58.200 0.204 0.000 0.958 277 S CB 0.155 63.501 63.200 0.243 0.000 0.797 277 S HN 0.262 nan 8.310 nan 0.000 0.493 278 M N -1.364 118.340 119.600 0.175 0.000 2.638 278 M HA 0.314 4.794 4.480 -0.000 0.000 0.256 278 M C 0.112 176.234 176.300 -0.296 0.000 1.282 278 M CA 0.455 55.736 55.300 -0.032 0.000 1.155 278 M CB 0.423 32.972 32.600 -0.086 0.000 1.345 278 M HN 0.257 nan 8.290 nan 0.000 0.523 279 F N -0.838 119.183 119.950 0.117 0.000 2.735 279 F HA 0.333 4.860 4.527 -0.000 0.000 0.304 279 F C -0.220 175.619 175.800 0.065 0.000 1.119 279 F CA -0.501 57.526 58.000 0.045 0.000 1.280 279 F CB 0.304 39.308 39.000 0.007 0.000 0.994 279 F HN -0.092 nan 8.300 nan 0.000 0.520 280 Y N 0.696 121.012 120.300 0.026 0.000 2.487 280 Y HA 0.217 4.767 4.550 0.000 0.000 0.337 280 Y C 1.524 177.409 175.900 -0.026 0.000 1.076 280 Y CA -1.085 57.018 58.100 0.006 0.000 1.115 280 Y CB 1.492 39.987 38.460 0.059 0.000 1.235 280 Y HN -0.065 nan 8.280 nan 0.000 0.468 281 K N 0.217 120.659 120.400 0.070 0.000 2.288 281 K HA -0.116 4.204 4.320 -0.000 0.000 0.201 281 K C 0.148 176.780 176.600 0.053 0.000 1.048 281 K CA 1.821 58.118 56.287 0.016 0.000 0.956 281 K CB 0.075 32.596 32.500 0.035 0.000 0.746 281 K HN 0.744 nan 8.250 nan 0.000 0.461 282 D N 0.452 120.920 120.400 0.112 0.000 2.368 282 D HA 0.079 4.719 4.640 -0.000 0.000 0.218 282 D C 0.470 176.808 176.300 0.064 0.000 1.112 282 D CA -0.328 53.717 54.000 0.075 0.000 0.834 282 D CB 0.053 40.904 40.800 0.084 0.000 0.953 282 D HN 0.235 nan 8.370 nan 0.000 0.505 283 G N 0.713 109.570 108.800 0.095 0.000 2.483 283 G HA2 0.015 3.975 3.960 -0.000 0.000 0.248 283 G HA3 0.015 3.975 3.960 -0.000 0.000 0.248 283 G C 0.636 175.525 174.900 -0.019 0.000 1.248 283 G CA -0.401 44.743 45.100 0.075 0.000 0.838 283 G HN 0.146 nan 8.290 nan 0.000 0.566 284 Q N 0.611 120.356 119.800 -0.091 0.000 2.173 284 Q HA -0.181 4.159 4.340 -0.000 0.000 0.208 284 Q C 0.215 175.897 176.000 -0.529 0.000 0.989 284 Q CA 1.556 57.150 55.803 -0.348 0.000 0.872 284 Q CB -0.095 28.353 28.738 -0.483 0.000 0.909 284 Q HN 0.701 nan 8.270 nan 0.000 0.420 285 Y N -0.340 119.939 120.300 -0.034 0.000 2.669 285 Y HA 0.313 4.863 4.550 -0.000 0.000 0.302 285 Y C -0.226 175.757 175.900 0.137 0.000 1.000 285 Y CA -0.550 57.537 58.100 -0.021 0.000 1.222 285 Y CB 0.793 39.267 38.460 0.023 0.000 1.209 285 Y HN -0.113 nan 8.280 nan 0.000 0.571 286 S N 0.954 116.753 115.700 0.166 0.000 2.525 286 S HA 0.125 4.595 4.470 -0.000 0.000 0.285 286 S C 1.162 175.856 174.600 0.156 0.000 1.283 286 S CA -0.015 58.236 58.200 0.085 0.000 1.072 286 S CB 0.443 63.654 63.200 0.018 0.000 0.867 286 S HN 0.453 nan 8.310 nan 0.000 0.492 287 V N 4.823 124.718 119.914 -0.032 0.000 3.578 287 V HA 0.261 4.381 4.120 -0.000 0.000 0.290 287 V C 1.561 177.639 176.094 -0.027 0.000 1.376 287 V CA 0.314 62.655 62.300 0.068 0.000 1.083 287 V CB -0.688 31.090 31.823 -0.075 0.000 0.911 287 V HN 0.815 nan 8.190 nan 0.000 0.433 288 L N 1.487 122.607 121.223 -0.173 0.000 2.127 288 L HA -0.165 4.175 4.340 -0.000 0.000 0.211 288 L C 2.820 179.613 176.870 -0.128 0.000 1.089 288 L CA 2.406 57.127 54.840 -0.198 0.000 0.757 288 L CB -0.556 41.261 42.059 -0.403 0.000 0.899 288 L HN 0.539 nan 8.230 nan 0.000 0.434 289 K N -0.114 120.160 120.400 -0.209 0.000 2.283 289 K HA -0.119 4.201 4.320 -0.000 0.000 0.202 289 K C 0.276 176.716 176.600 -0.268 0.000 1.048 289 K CA 0.561 56.690 56.287 -0.262 0.000 0.948 289 K CB -0.355 31.904 32.500 -0.403 0.000 0.742 289 K HN 0.000 nan 8.250 nan 0.000 0.458 290 F N 3.249 123.164 119.950 -0.059 0.000 2.506 290 F HA 0.130 4.657 4.527 -0.000 0.000 0.371 290 F C 1.696 177.480 175.800 -0.026 0.000 1.078 290 F CA -0.467 57.497 58.000 -0.060 0.000 1.195 290 F CB 1.095 40.029 39.000 -0.109 0.000 1.099 290 F HN -0.023 nan 8.300 nan 0.000 0.548 291 K N 2.369 122.861 120.400 0.153 0.000 2.113 291 K HA -0.225 4.095 4.320 -0.000 0.000 0.208 291 K C 0.901 177.557 176.600 0.093 0.000 1.047 291 K CA 1.727 58.071 56.287 0.094 0.000 0.928 291 K CB 0.046 32.588 32.500 0.071 0.000 0.716 291 K HN 0.571 nan 8.250 nan 0.000 0.446 292 N N 0.901 119.661 118.700 0.099 0.000 2.270 292 N HA 0.004 4.744 4.740 -0.000 0.000 0.198 292 N C -0.240 175.316 175.510 0.077 0.000 1.117 292 N CA -0.091 52.995 53.050 0.060 0.000 0.845 292 N CB 0.221 38.720 38.487 0.020 0.000 0.980 292 N HN 0.110 nan 8.380 nan 0.000 0.486 293 L N 1.540 122.832 121.223 0.115 0.000 2.455 293 L HA 0.161 4.501 4.340 -0.000 0.000 0.272 293 L C -0.159 176.833 176.870 0.203 0.000 1.174 293 L CA -0.239 54.680 54.840 0.133 0.000 0.869 293 L CB 0.100 42.238 42.059 0.131 0.000 1.130 293 L HN -0.074 nan 8.230 nan 0.000 0.474 294 F N 5.098 125.062 119.950 0.023 0.000 2.506 294 F HA 0.191 4.718 4.527 -0.000 0.000 0.371 294 F C 0.550 176.353 175.800 0.004 0.000 1.078 294 F CA -0.708 57.290 58.000 -0.004 0.000 1.195 294 F CB -0.126 38.844 39.000 -0.049 0.000 1.099 294 F HN 0.648 nan 8.300 nan 0.000 0.548 295 N N 6.119 124.709 118.700 -0.183 0.000 2.739 295 N HA 0.201 4.941 4.740 -0.000 0.000 0.266 295 N C -1.425 173.744 175.510 -0.569 0.000 1.168 295 N CA 0.217 53.145 53.050 -0.205 0.000 1.055 295 N CB -0.251 38.227 38.487 -0.014 0.000 1.393 295 N HN 0.641 nan 8.380 nan 0.000 0.514 296 C N 2.254 121.158 119.300 -0.660 0.000 3.254 296 C HA 0.410 4.870 4.460 -0.000 0.000 0.405 296 C C -1.360 173.172 174.990 -0.763 0.000 1.027 296 C CA -0.734 57.743 59.018 -0.901 0.000 1.192 296 C CB 0.236 26.899 27.740 -1.795 0.000 1.567 296 C HN 0.237 nan 8.230 nan 0.000 0.582 297 V N 4.659 124.138 119.914 -0.724 0.000 2.427 297 V HA 0.779 4.899 4.120 -0.000 0.000 0.286 297 V C 0.678 176.521 176.094 -0.418 0.000 1.034 297 V CA 0.081 61.982 62.300 -0.665 0.000 0.893 297 V CB 1.495 32.934 31.823 -0.639 0.000 0.982 297 V HN 1.199 nan 8.190 nan 0.000 0.452 298 A N 4.149 126.792 122.820 -0.296 0.000 2.288 298 A HA 0.946 5.266 4.320 -0.000 0.000 0.320 298 A C -0.043 177.463 177.584 -0.130 0.000 1.217 298 A CA -0.117 51.768 52.037 -0.254 0.000 0.840 298 A CB 1.097 20.030 19.000 -0.112 0.000 1.179 298 A HN 1.350 nan 8.150 nan 0.000 0.504 299 A N 2.329 125.085 122.820 -0.106 0.000 2.566 299 A HA 0.763 5.083 4.320 -0.000 0.000 0.292 299 A C -0.727 176.954 177.584 0.161 0.000 1.112 299 A CA -0.663 51.401 52.037 0.046 0.000 0.707 299 A CB 0.802 19.933 19.000 0.219 0.000 1.302 299 A HN 0.951 nan 8.150 nan 0.000 0.409 300 H N 0.153 119.246 119.070 0.037 0.000 2.472 300 H HA 0.235 4.791 4.556 -0.000 0.000 0.335 300 H C -0.278 175.027 175.328 -0.037 0.000 1.136 300 H CA -0.861 55.155 56.048 -0.054 0.000 1.264 300 H CB 1.544 31.364 29.762 0.097 0.000 1.486 300 H HN 0.683 nan 8.280 nan 0.000 0.517 301 D N 1.529 121.867 120.400 -0.104 0.000 2.347 301 D HA -0.086 4.554 4.640 -0.000 0.000 0.215 301 D C -0.070 176.199 176.300 -0.051 0.000 0.976 301 D CA 0.651 54.573 54.000 -0.130 0.000 0.884 301 D CB 0.173 40.744 40.800 -0.383 0.000 0.915 301 D HN 0.398 nan 8.370 nan 0.000 0.526 302 Y N -0.056 120.306 120.300 0.103 0.000 2.903 302 Y HA -0.152 4.398 4.550 -0.000 0.000 0.338 302 Y C 0.729 176.530 175.900 -0.166 0.000 1.265 302 Y CA 0.151 58.112 58.100 -0.232 0.000 1.532 302 Y CB -0.311 37.851 38.460 -0.496 0.000 1.293 302 Y HN 0.107 nan 8.280 nan 0.000 0.609 303 W N -0.466 121.086 121.300 0.420 0.000 3.207 303 W HA -0.320 4.340 4.660 0.000 0.000 0.291 303 W C 0.999 177.652 176.519 0.223 0.000 1.105 303 W CA 0.624 58.142 57.345 0.287 0.000 0.612 303 W CB -2.005 27.594 29.460 0.231 0.000 2.140 303 W HN 0.514 nan 8.180 nan 0.000 1.420 304 S N -2.295 113.586 115.700 0.301 0.000 2.900 304 S HA 0.633 5.103 4.470 -0.000 0.000 0.253 304 S C 0.909 175.574 174.600 0.108 0.000 1.029 304 S CA 0.053 58.373 58.200 0.200 0.000 1.096 304 S CB 0.596 63.896 63.200 0.166 0.000 1.067 304 S HN 0.484 nan 8.310 nan 0.000 0.610 305 A N 0.560 123.453 122.820 0.121 0.000 2.275 305 A HA 0.565 4.885 4.320 -0.000 0.000 0.212 305 A C 0.050 177.693 177.584 0.099 0.000 1.201 305 A CA 0.053 52.082 52.037 -0.012 0.000 0.843 305 A CB -0.099 18.805 19.000 -0.160 0.000 0.873 305 A HN 0.734 nan 8.150 nan 0.000 0.492 306 Y N -0.019 120.346 120.300 0.108 0.000 2.521 306 Y HA 0.485 5.035 4.550 -0.000 0.000 0.332 306 Y C -2.794 173.193 175.900 0.145 0.000 1.121 306 Y CA -2.095 56.096 58.100 0.152 0.000 1.037 306 Y CB 1.842 40.489 38.460 0.311 0.000 1.330 306 Y HN 0.035 nan 8.280 nan 0.000 0.452 307 P HA 0.291 nan 4.420 nan 0.000 0.279 307 P C 0.035 177.146 177.300 -0.315 0.000 1.282 307 P CA 0.262 62.878 63.100 -0.807 0.000 0.788 307 P CB 0.987 32.273 31.700 -0.690 0.000 1.139 308 A N 0.282 122.937 122.820 -0.275 0.000 1.978 308 A HA -0.180 4.140 4.320 -0.000 0.000 0.220 308 A C 2.101 179.612 177.584 -0.123 0.000 1.170 308 A CA 2.594 54.532 52.037 -0.165 0.000 0.636 308 A CB -2.047 16.865 19.000 -0.148 0.000 0.810 308 A HN 0.742 nan 8.150 nan 0.000 0.448 309 T N -1.565 112.916 114.554 -0.120 0.000 2.708 309 T HA -0.177 4.173 4.350 -0.000 0.000 0.266 309 T C 1.797 176.457 174.700 -0.068 0.000 1.037 309 T CA 1.525 63.575 62.100 -0.083 0.000 1.146 309 T CB -0.607 68.217 68.868 -0.073 0.000 0.865 309 T HN 0.315 nan 8.240 nan 0.000 0.435 310 L N 1.201 122.386 121.223 -0.064 0.000 2.017 310 L HA 0.142 4.482 4.340 -0.000 0.000 0.208 310 L C 2.402 179.257 176.870 -0.025 0.000 1.073 310 L CA 1.696 56.519 54.840 -0.028 0.000 0.745 310 L CB -1.217 40.846 42.059 0.006 0.000 0.894 310 L HN 0.365 nan 8.230 nan 0.000 0.432 311 L N -0.515 120.681 121.223 -0.045 0.000 1.997 311 L HA -0.203 4.137 4.340 -0.000 0.000 0.216 311 L C 2.482 179.318 176.870 -0.057 0.000 1.074 311 L CA 2.702 57.508 54.840 -0.056 0.000 0.763 311 L CB -0.874 41.124 42.059 -0.100 0.000 0.890 311 L HN 0.334 nan 8.230 nan 0.000 0.434 312 V N -3.659 116.217 119.914 -0.063 0.000 2.488 312 V HA -0.101 4.019 4.120 -0.000 0.000 0.246 312 V C 2.143 178.207 176.094 -0.050 0.000 1.046 312 V CA 1.549 63.815 62.300 -0.057 0.000 1.053 312 V CB -1.056 30.735 31.823 -0.054 0.000 0.679 312 V HN 0.393 nan 8.190 nan 0.000 0.458 313 D N 0.734 121.103 120.400 -0.051 0.000 2.084 313 D HA -0.144 4.496 4.640 -0.000 0.000 0.194 313 D C 2.059 178.321 176.300 -0.063 0.000 0.990 313 D CA 2.168 56.133 54.000 -0.058 0.000 0.826 313 D CB -0.288 40.475 40.800 -0.062 0.000 0.971 313 D HN 0.544 nan 8.370 nan 0.000 0.453 314 I N 0.351 120.897 120.570 -0.040 0.000 2.286 314 I HA -0.264 3.906 4.170 -0.000 0.000 0.248 314 I C 2.245 178.370 176.117 0.014 0.000 1.115 314 I CA 1.211 62.507 61.300 -0.007 0.000 1.392 314 I CB 0.161 38.196 38.000 0.059 0.000 1.065 314 I HN -0.114 nan 8.210 nan 0.000 0.418 315 R N 0.307 120.793 120.500 -0.023 0.000 2.090 315 R HA -0.092 4.248 4.340 -0.000 0.000 0.228 315 R C 2.098 178.368 176.300 -0.050 0.000 1.110 315 R CA 1.288 57.350 56.100 -0.062 0.000 0.973 315 R CB -0.311 29.944 30.300 -0.075 0.000 0.869 315 R HN 0.393 nan 8.270 nan 0.000 0.440 316 N N 0.643 119.322 118.700 -0.035 0.000 2.120 316 N HA -0.179 4.561 4.740 -0.000 0.000 0.188 316 N C 1.635 177.150 175.510 0.008 0.000 1.024 316 N CA 1.088 54.134 53.050 -0.008 0.000 0.852 316 N CB -0.143 38.331 38.487 -0.023 0.000 1.003 316 N HN 0.189 nan 8.380 nan 0.000 0.424 317 R N 0.732 121.212 120.500 -0.033 0.000 2.096 317 R HA 0.000 4.340 4.340 -0.000 0.000 0.235 317 R C 2.208 178.588 176.300 0.133 0.000 1.127 317 R CA 0.804 56.863 56.100 -0.069 0.000 0.968 317 R CB -0.174 29.915 30.300 -0.352 0.000 0.861 317 R HN 0.197 nan 8.270 nan 0.000 0.440 318 I N -0.568 120.124 120.570 0.203 0.000 2.127 318 I HA -0.333 3.837 4.170 -0.000 0.000 0.241 318 I C 2.438 178.587 176.117 0.054 0.000 1.075 318 I CA 1.769 63.142 61.300 0.123 0.000 1.334 318 I CB -0.541 37.294 38.000 -0.275 0.000 1.040 318 I HN 0.321 nan 8.210 nan 0.000 0.405 319 H N 1.365 120.393 119.070 -0.071 0.000 2.353 319 H HA -0.173 4.383 4.556 -0.000 0.000 0.300 319 H C 2.198 177.533 175.328 0.011 0.000 1.090 319 H CA 1.809 57.830 56.048 -0.044 0.000 1.327 319 H CB -0.039 29.688 29.762 -0.058 0.000 1.383 319 H HN 0.095 nan 8.280 nan 0.000 0.508 320 K N 0.187 120.549 120.400 -0.065 0.000 1.991 320 K HA -0.162 4.158 4.320 -0.000 0.000 0.212 320 K C 1.895 178.486 176.600 -0.014 0.000 1.049 320 K CA 1.817 58.055 56.287 -0.082 0.000 0.932 320 K CB 0.074 32.565 32.500 -0.016 0.000 0.717 320 K HN 0.360 nan 8.250 nan 0.000 0.441 321 E N 0.858 121.115 120.200 0.095 0.000 2.072 321 E HA -0.173 4.177 4.350 -0.000 0.000 0.191 321 E C 2.082 178.765 176.600 0.138 0.000 0.985 321 E CA 0.642 57.152 56.400 0.183 0.000 0.801 321 E CB -0.377 29.520 29.700 0.329 0.000 0.750 321 E HN 0.208 nan 8.360 nan 0.000 0.452 322 L N 1.651 122.912 121.223 0.063 0.000 2.056 322 L HA -0.108 4.232 4.340 -0.000 0.000 0.207 322 L C 2.355 179.201 176.870 -0.040 0.000 1.078 322 L CA 1.951 56.799 54.840 0.015 0.000 0.749 322 L CB -0.746 41.304 42.059 -0.015 0.000 0.901 322 L HN 0.104 nan 8.230 nan 0.000 0.433 323 S N -1.122 114.513 115.700 -0.108 0.000 2.481 323 S HA 0.025 4.495 4.470 -0.000 0.000 0.231 323 S C 1.816 176.360 174.600 -0.094 0.000 0.996 323 S CA 0.491 58.610 58.200 -0.135 0.000 0.942 323 S CB -0.605 62.395 63.200 -0.333 0.000 0.768 323 S HN 0.375 nan 8.310 nan 0.000 0.520 324 A N 2.707 125.497 122.820 -0.051 0.000 2.259 324 A HA 0.111 4.431 4.320 -0.000 0.000 0.208 324 A C 1.852 179.352 177.584 -0.140 0.000 1.201 324 A CA 0.590 52.623 52.037 -0.007 0.000 0.824 324 A CB -0.698 18.368 19.000 0.110 0.000 0.838 324 A HN 0.727 nan 8.150 nan 0.000 0.485 325 N N 0.056 118.542 118.700 -0.357 0.000 2.515 325 N HA 0.049 4.789 4.740 -0.000 0.000 0.185 325 N C 1.099 176.421 175.510 -0.314 0.000 1.109 325 N CA 1.189 53.756 53.050 -0.804 0.000 0.903 325 N CB -0.605 37.397 38.487 -0.808 0.000 0.969 325 N HN 0.707 nan 8.380 nan 0.000 0.450 326 G N -0.426 108.290 108.800 -0.140 0.000 2.160 326 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.251 326 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.251 326 G C 0.310 175.172 174.900 -0.063 0.000 1.008 326 G CA 0.786 45.846 45.100 -0.068 0.000 0.724 326 G HN 0.639 nan 8.290 nan 0.000 0.514 327 H N -0.572 118.435 119.070 -0.106 0.000 3.233 327 H HA 0.252 4.808 4.556 -0.000 0.000 0.263 327 H C 1.358 176.663 175.328 -0.038 0.000 1.168 327 H CA 0.151 56.160 56.048 -0.065 0.000 1.159 327 H CB 0.435 30.157 29.762 -0.067 0.000 1.593 327 H HN 0.297 nan 8.280 nan 0.000 0.580 328 N N 0.916 119.643 118.700 0.045 0.000 2.740 328 N HA -0.154 4.586 4.740 -0.000 0.000 0.248 328 N C -0.735 174.798 175.510 0.038 0.000 1.062 328 N CA 1.206 54.279 53.050 0.038 0.000 0.704 328 N CB -1.739 36.764 38.487 0.027 0.000 0.968 328 N HN 0.270 nan 8.380 nan 0.000 0.547 329 T N 1.175 115.744 114.554 0.026 0.000 2.870 329 T HA 0.127 4.477 4.350 -0.000 0.000 0.300 329 T C 1.094 175.756 174.700 -0.062 0.000 0.989 329 T CA -0.038 62.038 62.100 -0.041 0.000 1.139 329 T CB 1.376 70.212 68.868 -0.055 0.000 0.920 329 T HN 0.054 nan 8.240 nan 0.000 0.537 330 K N 1.605 121.916 120.400 -0.148 0.000 2.138 330 K HA 0.414 4.734 4.320 -0.000 0.000 0.251 330 K C -0.518 176.038 176.600 -0.073 0.000 1.015 330 K CA -0.436 55.795 56.287 -0.092 0.000 0.917 330 K CB 0.528 32.937 32.500 -0.152 0.000 1.021 330 K HN 0.469 nan 8.250 nan 0.000 0.485 331 F N 1.107 121.018 119.950 -0.065 0.000 2.508 331 F HA 0.395 4.922 4.527 -0.000 0.000 0.325 331 F C -1.561 174.354 175.800 0.192 0.000 1.090 331 F CA -0.716 57.258 58.000 -0.043 0.000 0.945 331 F CB 0.987 39.972 39.000 -0.024 0.000 1.156 331 F HN 0.372 nan 8.300 nan 0.000 0.463 332 W N 4.867 125.470 121.300 -1.161 0.000 2.683 332 W HA 0.674 5.334 4.660 -0.000 0.000 0.329 332 W C -0.864 174.912 176.519 -1.239 0.000 1.037 332 W CA -1.760 55.051 57.345 -0.889 0.000 1.232 332 W CB 1.581 30.731 29.460 -0.515 0.000 1.390 332 W HN 0.778 nan 8.180 nan 0.000 0.465 333 A N 2.317 124.754 122.820 -0.638 0.000 2.350 333 A HA 0.463 4.783 4.320 -0.000 0.000 0.293 333 A C 0.809 178.043 177.584 -0.583 0.000 1.231 333 A CA 0.074 51.815 52.037 -0.494 0.000 0.883 333 A CB 0.176 18.979 19.000 -0.328 0.000 1.133 333 A HN 0.611 nan 8.150 nan 0.000 0.533 334 S N 1.066 116.540 115.700 -0.377 0.000 2.559 334 S HA 0.341 4.811 4.470 -0.000 0.000 0.226 334 S C 0.084 174.383 174.600 -0.501 0.000 1.000 334 S CA 0.004 58.008 58.200 -0.326 0.000 0.948 334 S CB 0.108 63.273 63.200 -0.059 0.000 0.870 334 S HN 0.791 nan 8.310 nan 0.000 0.497 335 E N -0.456 119.322 120.200 -0.704 0.000 2.451 335 E HA 0.445 4.795 4.350 -0.000 0.000 0.295 335 E C -2.400 173.723 176.600 -0.794 0.000 0.966 335 E CA -0.572 55.338 56.400 -0.817 0.000 0.808 335 E CB 1.720 30.648 29.700 -1.287 0.000 1.242 335 E HN 0.277 nan 8.360 nan 0.000 0.412 336 Y N 3.103 122.924 120.300 -0.799 0.000 2.558 336 Y HA 0.611 5.161 4.550 -0.000 0.000 0.333 336 Y C -1.464 174.362 175.900 -0.123 0.000 1.125 336 Y CA -0.702 56.889 58.100 -0.850 0.000 1.039 336 Y CB 1.176 39.189 38.460 -0.745 0.000 1.331 336 Y HN 0.856 nan 8.280 nan 0.000 0.456 337 C N 3.834 122.581 119.300 -0.921 0.000 3.288 337 C HA 0.663 5.123 4.460 -0.000 0.000 0.318 337 C C -1.083 173.451 174.990 -0.760 0.000 1.356 337 C CA -1.263 57.535 59.018 -0.367 0.000 1.359 337 C CB 0.698 28.576 27.740 0.231 0.000 1.688 337 C HN 0.753 nan 8.230 nan 0.000 0.467 338 I N 2.541 122.999 120.570 -0.185 0.000 2.671 338 I HA 0.133 4.303 4.170 -0.000 0.000 0.285 338 I C 0.425 176.520 176.117 -0.036 0.000 1.148 338 I CA 0.403 61.679 61.300 -0.040 0.000 1.386 338 I CB 0.183 38.234 38.000 0.085 0.000 1.406 338 I HN 0.767 nan 8.210 nan 0.000 0.540 339 L N 5.641 126.830 121.223 -0.055 0.000 2.815 339 L HA 0.178 4.518 4.340 -0.000 0.000 0.241 339 L C 1.181 178.086 176.870 0.059 0.000 1.047 339 L CA 0.583 55.401 54.840 -0.036 0.000 0.939 339 L CB -0.064 41.877 42.059 -0.197 0.000 1.490 339 L HN 0.634 nan 8.230 nan 0.000 0.510 340 E N 1.171 121.400 120.200 0.048 0.000 2.376 340 E HA 0.178 4.528 4.350 -0.000 0.000 0.254 340 E C -0.892 175.780 176.600 0.120 0.000 1.213 340 E CA -0.333 56.216 56.400 0.248 0.000 0.945 340 E CB 0.846 30.738 29.700 0.320 0.000 1.057 340 E HN 0.127 nan 8.360 nan 0.000 0.479 341 K N 0.664 121.137 120.400 0.120 0.000 2.427 341 K HA 0.406 4.726 4.320 -0.000 0.000 0.252 341 K C -0.986 175.577 176.600 -0.062 0.000 0.931 341 K CA -0.746 55.547 56.287 0.010 0.000 0.793 341 K CB 1.513 34.037 32.500 0.041 0.000 1.211 341 K HN 0.767 nan 8.250 nan 0.000 0.426 342 N N -0.839 117.757 118.700 -0.172 0.000 3.322 342 N HA -0.051 4.689 4.740 -0.000 0.000 0.233 342 N C 0.097 175.477 175.510 -0.216 0.000 1.399 342 N CA -0.898 51.974 53.050 -0.297 0.000 0.894 342 N CB 0.453 38.424 38.487 -0.860 0.000 1.440 342 N HN 0.540 nan 8.380 nan 0.000 0.503 343 E N -0.540 119.579 120.200 -0.136 0.000 2.209 343 E HA -0.220 4.130 4.350 -0.000 0.000 0.196 343 E C 0.542 177.129 176.600 -0.022 0.000 0.993 343 E CA 1.353 57.735 56.400 -0.030 0.000 0.819 343 E CB -0.203 29.529 29.700 0.055 0.000 0.745 343 E HN 0.704 nan 8.360 nan 0.000 0.477 344 E N 0.561 120.732 120.200 -0.048 0.000 2.152 344 E HA -0.077 4.273 4.350 -0.000 0.000 0.192 344 E C 2.074 178.647 176.600 -0.045 0.000 0.983 344 E CA 1.453 57.874 56.400 0.035 0.000 0.818 344 E CB -0.002 29.821 29.700 0.205 0.000 0.758 344 E HN 0.655 nan 8.360 nan 0.000 0.467 345 I N -3.855 116.619 120.570 -0.159 0.000 4.439 345 I HA 0.189 4.359 4.170 -0.000 0.000 0.331 345 I C 0.166 176.211 176.117 -0.119 0.000 1.345 345 I CA -0.236 60.955 61.300 -0.182 0.000 1.193 345 I CB 1.198 38.955 38.000 -0.406 0.000 1.221 345 I HN -0.310 nan 8.210 nan 0.000 0.429 346 T N 3.876 118.370 114.554 -0.100 0.000 2.738 346 T HA 0.705 5.055 4.350 -0.000 0.000 0.298 346 T C -0.572 174.110 174.700 -0.031 0.000 0.962 346 T CA 0.046 62.111 62.100 -0.059 0.000 0.972 346 T CB 0.819 69.653 68.868 -0.056 0.000 0.928 346 T HN 0.259 nan 8.240 nan 0.000 0.474 347 M N 3.567 123.155 119.600 -0.019 0.000 2.569 347 M HA 0.316 4.796 4.480 -0.000 0.000 0.287 347 M C -2.691 173.607 176.300 -0.003 0.000 1.130 347 M CA -1.560 53.734 55.300 -0.009 0.000 0.885 347 M CB 2.069 34.663 32.600 -0.010 0.000 1.759 347 M HN 0.288 nan 8.290 nan 0.000 0.515 348 P HA 0.302 nan 4.420 nan 0.000 0.270 348 P C -1.167 176.136 177.300 0.006 0.000 1.223 348 P CA -0.344 62.758 63.100 0.004 0.000 0.785 348 P CB 0.404 32.108 31.700 0.006 0.000 0.923 349 A N 1.853 124.678 122.820 0.009 0.000 2.540 349 A HA 0.471 4.791 4.320 -0.000 0.000 0.239 349 A C 0.485 178.077 177.584 0.013 0.000 1.061 349 A CA 0.760 52.805 52.037 0.012 0.000 0.758 349 A CB -0.741 18.268 19.000 0.015 0.000 0.991 349 A HN 0.672 nan 8.150 nan 0.000 0.502 350 S N 1.446 117.155 115.700 0.015 0.000 2.595 350 S HA 0.606 5.076 4.470 -0.000 0.000 0.270 350 S C -2.790 171.821 174.600 0.019 0.000 1.145 350 S CA -0.695 57.514 58.200 0.015 0.000 0.825 350 S CB 1.110 64.317 63.200 0.011 0.000 1.107 350 S HN 0.212 nan 8.310 nan 0.000 0.461 351 P HA -0.016 nan 4.420 nan 0.000 0.219 351 P C 0.841 178.152 177.300 0.018 0.000 1.146 351 P CA 1.367 64.479 63.100 0.020 0.000 0.808 351 P CB 0.022 31.730 31.700 0.014 0.000 0.779 352 E N -0.758 119.449 120.200 0.012 0.000 2.046 352 E HA -0.106 4.244 4.350 -0.000 0.000 0.190 352 E C 2.175 178.781 176.600 0.011 0.000 0.982 352 E CA 0.737 57.141 56.400 0.007 0.000 0.800 352 E CB -0.725 28.976 29.700 0.002 0.000 0.756 352 E HN 0.089 nan 8.360 nan 0.000 0.449 353 R N 0.577 121.085 120.500 0.013 0.000 2.091 353 R HA -0.108 4.232 4.340 -0.000 0.000 0.238 353 R C 2.135 178.452 176.300 0.029 0.000 1.136 353 R CA 1.622 57.731 56.100 0.014 0.000 0.959 353 R CB -0.292 30.014 30.300 0.010 0.000 0.856 353 R HN 0.129 nan 8.270 nan 0.000 0.437 354 S N 0.973 116.696 115.700 0.037 0.000 2.353 354 S HA -0.183 4.287 4.470 -0.000 0.000 0.222 354 S C 1.812 176.457 174.600 0.074 0.000 1.035 354 S CA 1.447 59.681 58.200 0.057 0.000 1.025 354 S CB -0.297 62.938 63.200 0.058 0.000 0.902 354 S HN 0.323 nan 8.310 nan 0.000 0.440 355 I N 2.524 123.129 120.570 0.059 0.000 2.493 355 I HA -0.093 4.077 4.170 -0.000 0.000 0.254 355 I C 1.528 177.679 176.117 0.055 0.000 1.160 355 I CA 1.013 62.349 61.300 0.060 0.000 1.445 355 I CB -0.423 37.597 38.000 0.033 0.000 1.086 355 I HN 0.112 nan 8.210 nan 0.000 0.433 356 N N 0.412 119.135 118.700 0.040 0.000 2.120 356 N HA -0.135 4.605 4.740 -0.000 0.000 0.188 356 N C 1.893 177.478 175.510 0.125 0.000 1.024 356 N CA 1.521 54.596 53.050 0.042 0.000 0.852 356 N CB -0.437 38.061 38.487 0.020 0.000 1.003 356 N HN 0.361 nan 8.380 nan 0.000 0.424 357 L N 0.150 121.443 121.223 0.117 0.000 2.027 357 L HA -0.054 4.286 4.340 -0.000 0.000 0.206 357 L C 2.475 179.504 176.870 0.265 0.000 1.074 357 L CA 1.378 56.323 54.840 0.176 0.000 0.745 357 L CB -0.955 41.183 42.059 0.132 0.000 0.898 357 L HN 0.202 nan 8.230 nan 0.000 0.433 358 G N 0.231 109.157 108.800 0.210 0.000 2.446 358 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.217 358 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.217 358 G C 1.611 176.645 174.900 0.224 0.000 1.168 358 G CA 0.804 46.038 45.100 0.222 0.000 0.771 358 G HN 0.246 nan 8.290 nan 0.000 0.551 359 L N -1.298 120.044 121.223 0.199 0.000 2.156 359 L HA 0.051 4.391 4.340 -0.000 0.000 0.208 359 L C 2.521 179.622 176.870 0.384 0.000 1.095 359 L CA 0.750 55.724 54.840 0.224 0.000 0.770 359 L CB -0.440 41.657 42.059 0.063 0.000 0.914 359 L HN 0.280 nan 8.230 nan 0.000 0.439 360 Y N 0.289 120.746 120.300 0.261 0.000 2.165 360 Y HA -0.261 4.289 4.550 -0.000 0.000 0.286 360 Y C 2.331 178.322 175.900 0.152 0.000 1.155 360 Y CA 1.790 60.054 58.100 0.274 0.000 1.164 360 Y CB -0.025 38.574 38.460 0.232 0.000 0.978 360 Y HN -0.133 nan 8.280 nan 0.000 0.513 361 V N -0.116 119.974 119.914 0.293 0.000 2.488 361 V HA -0.190 3.930 4.120 -0.000 0.000 0.246 361 V C 2.606 178.613 176.094 -0.145 0.000 1.046 361 V CA 1.360 63.706 62.300 0.077 0.000 1.053 361 V CB -1.341 30.639 31.823 0.260 0.000 0.679 361 V HN 0.523 nan 8.190 nan 0.000 0.458 362 A N 0.448 123.274 122.820 0.009 0.000 1.978 362 A HA -0.289 4.031 4.320 -0.000 0.000 0.220 362 A C 2.384 179.953 177.584 -0.025 0.000 1.170 362 A CA 2.266 54.317 52.037 0.024 0.000 0.636 362 A CB -0.575 18.537 19.000 0.187 0.000 0.810 362 A HN 0.527 nan 8.150 nan 0.000 0.448 363 R N -0.237 120.241 120.500 -0.037 0.000 2.073 363 R HA -0.034 4.306 4.340 -0.000 0.000 0.229 363 R C 1.883 178.067 176.300 -0.193 0.000 1.120 363 R CA 1.540 57.574 56.100 -0.110 0.000 0.967 363 R CB -0.419 29.753 30.300 -0.213 0.000 0.862 363 R HN 0.520 nan 8.270 nan 0.000 0.436 364 I N 0.764 121.149 120.570 -0.308 0.000 2.163 364 I HA -0.334 3.836 4.170 -0.000 0.000 0.243 364 I C 2.260 178.166 176.117 -0.351 0.000 1.085 364 I CA 1.482 62.586 61.300 -0.327 0.000 1.347 364 I CB -0.288 37.466 38.000 -0.411 0.000 1.044 364 I HN 0.223 nan 8.210 nan 0.000 0.408 365 I N 0.029 120.221 120.570 -0.629 0.000 2.127 365 I HA -0.368 3.802 4.170 -0.000 0.000 0.241 365 I C 2.728 178.544 176.117 -0.501 0.000 1.075 365 I CA 1.927 62.683 61.300 -0.907 0.000 1.334 365 I CB -0.657 36.572 38.000 -1.286 0.000 1.040 365 I HN 0.310 nan 8.210 nan 0.000 0.405 366 H N 1.442 120.287 119.070 -0.374 0.000 2.319 366 H HA -0.177 4.379 4.556 -0.000 0.000 0.299 366 H C 2.062 177.329 175.328 -0.101 0.000 1.092 366 H CA 2.138 58.109 56.048 -0.128 0.000 1.302 366 H CB -0.049 29.724 29.762 0.018 0.000 1.373 366 H HN 0.255 nan 8.280 nan 0.000 0.497 367 N N 0.168 118.804 118.700 -0.106 0.000 2.216 367 N HA -0.130 4.610 4.740 -0.000 0.000 0.183 367 N C 1.239 176.665 175.510 -0.139 0.000 1.017 367 N CA 1.202 54.175 53.050 -0.129 0.000 0.861 367 N CB -0.120 38.330 38.487 -0.061 0.000 0.986 367 N HN 0.491 nan 8.380 nan 0.000 0.428 368 D N 1.363 121.707 120.400 -0.092 0.000 2.104 368 D HA -0.086 4.554 4.640 -0.000 0.000 0.194 368 D C 2.196 178.484 176.300 -0.020 0.000 0.994 368 D CA 0.647 54.655 54.000 0.013 0.000 0.830 368 D CB -0.273 40.638 40.800 0.185 0.000 0.959 368 D HN 0.224 nan 8.370 nan 0.000 0.452 369 L N 0.291 121.460 121.223 -0.090 0.000 2.093 369 L HA -0.107 4.233 4.340 -0.000 0.000 0.208 369 L C 2.480 179.270 176.870 -0.133 0.000 1.085 369 L CA 1.576 56.386 54.840 -0.051 0.000 0.755 369 L CB -0.455 41.619 42.059 0.025 0.000 0.904 369 L HN 0.172 nan 8.230 nan 0.000 0.435 370 T N -4.056 110.330 114.554 -0.279 0.000 3.023 370 T HA 0.143 4.493 4.350 -0.000 0.000 0.249 370 T C 1.686 176.191 174.700 -0.325 0.000 1.050 370 T CA 0.047 61.932 62.100 -0.358 0.000 1.088 370 T CB 0.076 68.637 68.868 -0.513 0.000 0.946 370 T HN 0.121 nan 8.240 nan 0.000 0.480 371 L N 0.392 121.466 121.223 -0.249 0.000 2.269 371 L HA 0.491 4.831 4.340 -0.000 0.000 0.200 371 L C 2.956 179.713 176.870 -0.187 0.000 1.069 371 L CA 0.826 55.551 54.840 -0.191 0.000 0.804 371 L CB -0.464 41.521 42.059 -0.122 0.000 0.987 371 L HN 0.316 nan 8.230 nan 0.000 0.468 372 A N -0.936 121.788 122.820 -0.160 0.000 2.251 372 A HA 0.006 4.326 4.320 -0.000 0.000 0.209 372 A C 0.753 178.266 177.584 -0.119 0.000 1.187 372 A CA -0.038 51.901 52.037 -0.163 0.000 0.823 372 A CB -0.487 18.365 19.000 -0.246 0.000 0.846 372 A HN 0.595 nan 8.150 nan 0.000 0.486 373 N N -0.799 117.788 118.700 -0.187 0.000 2.716 373 N HA -0.189 4.551 4.740 -0.000 0.000 0.250 373 N C 0.287 175.840 175.510 0.071 0.000 1.033 373 N CA 0.293 53.258 53.050 -0.142 0.000 0.727 373 N CB -0.936 37.356 38.487 -0.324 0.000 0.950 373 N HN 0.683 nan 8.380 nan 0.000 0.541 374 A N -0.001 122.908 122.820 0.148 0.000 2.477 374 A HA 0.270 4.590 4.320 -0.000 0.000 0.246 374 A C 1.247 178.896 177.584 0.109 0.000 1.078 374 A CA 0.231 52.417 52.037 0.248 0.000 0.770 374 A CB 0.463 19.611 19.000 0.248 0.000 1.011 374 A HN 0.321 nan 8.150 nan 0.000 0.494 375 S N 0.453 116.243 115.700 0.151 0.000 2.558 375 S HA 0.396 4.866 4.470 -0.000 0.000 0.217 375 S C 0.643 175.089 174.600 -0.255 0.000 0.975 375 S CA 0.738 58.992 58.200 0.091 0.000 0.912 375 S CB -0.163 63.228 63.200 0.318 0.000 0.776 375 S HN 1.252 nan 8.310 nan 0.000 0.526 376 A N 0.285 122.770 122.820 -0.558 0.000 2.594 376 A HA 0.674 4.994 4.320 -0.000 0.000 0.295 376 A C -2.196 174.972 177.584 -0.692 0.000 1.071 376 A CA -0.605 50.827 52.037 -1.008 0.000 0.685 376 A CB 1.013 18.805 19.000 -2.013 0.000 1.285 376 A HN 0.381 nan 8.150 nan 0.000 0.405 377 W N 1.477 122.258 121.300 -0.865 0.000 2.781 377 W HA 0.619 5.279 4.660 -0.000 0.000 0.333 377 W C -0.892 175.385 176.519 -0.404 0.000 1.047 377 W CA 0.031 57.054 57.345 -0.537 0.000 1.236 377 W CB 1.783 31.009 29.460 -0.389 0.000 1.394 377 W HN 0.709 nan 8.180 nan 0.000 0.466 378 Q N 4.648 123.877 119.800 -0.951 0.000 2.304 378 Q HA 0.252 4.592 4.340 -0.000 0.000 0.270 378 Q C -0.940 174.565 176.000 -0.826 0.000 1.035 378 Q CA -0.891 54.542 55.803 -0.617 0.000 0.781 378 Q CB 2.080 30.530 28.738 -0.480 0.000 1.261 378 Q HN 0.436 nan 8.270 nan 0.000 0.444 379 W N 2.270 123.376 121.300 -0.324 0.000 2.112 379 W HA 0.073 4.733 4.660 -0.000 0.000 0.349 379 W C 1.060 177.473 176.519 -0.177 0.000 1.289 379 W CA -0.321 56.920 57.345 -0.173 0.000 1.256 379 W CB 0.517 30.005 29.460 0.047 0.000 1.148 379 W HN 0.655 nan 8.180 nan 0.000 0.590 380 W N 1.308 122.615 121.300 0.013 0.000 1.625 380 W HA 0.024 4.684 4.660 -0.000 0.000 0.529 380 W C 0.606 177.063 176.519 -0.102 0.000 2.068 380 W CA 0.358 57.626 57.345 -0.130 0.000 2.305 380 W CB -0.303 29.105 29.460 -0.086 0.000 2.192 380 W HN 0.267 nan 8.180 nan 0.000 0.835 381 T N 0.515 114.418 114.554 -1.085 0.000 2.866 381 T HA 0.178 4.528 4.350 -0.000 0.000 0.293 381 T C 0.820 175.259 174.700 -0.434 0.000 1.005 381 T CA 0.314 61.865 62.100 -0.916 0.000 1.162 381 T CB 1.064 69.315 68.868 -1.028 0.000 0.968 381 T HN 0.503 nan 8.240 nan 0.000 0.530 382 A N 3.764 126.395 122.820 -0.314 0.000 1.978 382 A HA 0.252 4.572 4.320 -0.000 0.000 0.220 382 A C 1.349 178.755 177.584 -0.297 0.000 1.170 382 A CA 1.329 53.225 52.037 -0.236 0.000 0.636 382 A CB -0.763 18.240 19.000 0.006 0.000 0.810 382 A HN 1.512 nan 8.150 nan 0.000 0.448 383 V N -4.288 115.458 119.914 -0.280 0.000 2.864 383 V HA 0.854 4.974 4.120 -0.000 0.000 0.314 383 V C -0.437 175.515 176.094 -0.237 0.000 1.073 383 V CA -0.102 62.051 62.300 -0.245 0.000 0.956 383 V CB 1.603 33.290 31.823 -0.228 0.000 1.023 383 V HN 0.471 nan 8.190 nan 0.000 0.435 384 S N 1.315 116.904 115.700 -0.185 0.000 2.567 384 S HA 0.608 5.078 4.470 -0.000 0.000 0.270 384 S C -0.284 174.245 174.600 -0.118 0.000 1.152 384 S CA -0.499 57.611 58.200 -0.149 0.000 0.835 384 S CB 1.734 64.874 63.200 -0.100 0.000 1.115 384 S HN 0.774 nan 8.310 nan 0.000 0.459 385 L N 2.527 123.678 121.223 -0.121 0.000 2.418 385 L HA 0.361 4.701 4.340 -0.000 0.000 0.218 385 L C 1.562 178.413 176.870 -0.032 0.000 1.125 385 L CA 1.467 56.263 54.840 -0.075 0.000 0.835 385 L CB -0.733 41.264 42.059 -0.104 0.000 0.953 385 L HN 0.718 nan 8.230 nan 0.000 0.454 386 G N -1.622 107.162 108.800 -0.027 0.000 2.557 386 G HA2 0.265 4.225 3.960 -0.000 0.000 0.302 386 G HA3 0.265 4.225 3.960 -0.000 0.000 0.302 386 G C -0.439 174.456 174.900 -0.009 0.000 1.311 386 G CA -0.408 44.690 45.100 -0.004 0.000 1.030 386 G HN 0.065 nan 8.290 nan 0.000 0.509 387 E N 0.122 120.325 120.200 0.005 0.000 2.360 387 E HA 0.203 4.553 4.350 -0.000 0.000 0.253 387 E C -0.507 176.107 176.600 0.023 0.000 1.189 387 E CA -0.256 56.148 56.400 0.006 0.000 1.252 387 E CB 0.068 29.778 29.700 0.018 0.000 1.408 387 E HN 0.519 nan 8.360 nan 0.000 0.464 388 D N 0.198 120.606 120.400 0.014 0.000 2.516 388 D HA 0.057 4.697 4.640 -0.000 0.000 0.241 388 D C 0.268 176.612 176.300 0.073 0.000 1.246 388 D CA -0.130 53.911 54.000 0.068 0.000 0.808 388 D CB 0.402 41.245 40.800 0.073 0.000 1.147 388 D HN 0.106 nan 8.370 nan 0.000 0.527 389 V N -5.012 114.821 119.914 -0.135 0.000 3.130 389 V HA 0.556 4.676 4.120 -0.000 0.000 0.308 389 V C -2.269 173.433 176.094 -0.653 0.000 1.413 389 V CA -1.946 60.016 62.300 -0.563 0.000 1.053 389 V CB 1.419 32.987 31.823 -0.425 0.000 1.075 389 V HN -0.391 nan 8.190 nan 0.000 0.465 390 P HA 0.054 nan 4.420 nan 0.000 0.215 390 P C 0.264 177.324 177.300 -0.400 0.000 1.157 390 P CA 1.544 64.254 63.100 -0.650 0.000 0.874 390 P CB 0.059 31.323 31.700 -0.726 0.000 0.790 391 I N -1.012 119.353 120.570 -0.341 0.000 2.389 391 I HA 0.254 4.424 4.170 -0.000 0.000 0.288 391 I C 0.107 176.130 176.117 -0.156 0.000 0.999 391 I CA -0.840 60.331 61.300 -0.215 0.000 1.129 391 I CB 1.906 39.790 38.000 -0.194 0.000 1.288 391 I HN -0.169 nan 8.210 nan 0.000 0.444 392 Q N 5.895 125.643 119.800 -0.087 0.000 2.271 392 Q HA 0.497 4.837 4.340 -0.000 0.000 0.258 392 Q C -1.644 174.361 176.000 0.009 0.000 0.936 392 Q CA -0.802 54.974 55.803 -0.044 0.000 0.909 392 Q CB 1.502 30.229 28.738 -0.020 0.000 1.253 392 Q HN 0.441 nan 8.270 nan 0.000 0.440 393 L N 5.004 126.244 121.223 0.027 0.000 2.272 393 L HA 0.456 4.796 4.340 -0.000 0.000 0.289 393 L C -0.864 176.084 176.870 0.129 0.000 1.032 393 L CA -0.158 54.759 54.840 0.128 0.000 0.810 393 L CB 1.348 43.483 42.059 0.128 0.000 1.205 393 L HN 0.677 nan 8.230 nan 0.000 0.422 394 L N 5.903 127.216 121.223 0.149 0.000 2.313 394 L HA 0.519 4.859 4.340 -0.000 0.000 0.283 394 L C -2.115 174.815 176.870 0.100 0.000 1.013 394 L CA -1.904 52.997 54.840 0.100 0.000 0.816 394 L CB 1.652 43.755 42.059 0.073 0.000 1.236 394 L HN 0.386 nan 8.230 nan 0.000 0.419 395 P HA 0.031 nan 4.420 nan 0.000 0.267 395 P C -0.267 177.049 177.300 0.027 0.000 1.200 395 P CA -0.088 63.050 63.100 0.063 0.000 0.772 395 P CB 0.406 32.144 31.700 0.063 0.000 0.855 396 L N 1.486 122.704 121.223 -0.008 0.000 2.492 396 L HA 0.006 4.346 4.340 -0.000 0.000 0.280 396 L C 1.424 178.293 176.870 -0.002 0.000 1.240 396 L CA -0.072 54.757 54.840 -0.020 0.000 0.831 396 L CB -0.260 41.768 42.059 -0.051 0.000 1.100 396 L HN 0.515 nan 8.230 nan 0.000 0.505 397 E N 0.757 120.956 120.200 -0.002 0.000 2.414 397 E HA 0.207 4.557 4.350 -0.000 0.000 0.263 397 E C 0.911 177.514 176.600 0.005 0.000 1.000 397 E CA 0.124 56.528 56.400 0.005 0.000 0.914 397 E CB 0.493 30.196 29.700 0.005 0.000 0.948 397 E HN 0.791 nan 8.360 nan 0.000 0.444 398 G N 2.849 111.655 108.800 0.010 0.000 2.184 398 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.264 398 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.264 398 G C 0.054 174.963 174.900 0.015 0.000 0.975 398 G CA 0.370 45.477 45.100 0.011 0.000 0.642 398 G HN 0.614 nan 8.290 nan 0.000 0.536 399 S N 0.608 116.320 115.700 0.019 0.000 2.654 399 S HA 0.645 5.115 4.470 -0.000 0.000 0.283 399 S C 0.414 175.039 174.600 0.042 0.000 1.180 399 S CA -0.201 58.015 58.200 0.028 0.000 1.021 399 S CB 1.558 64.772 63.200 0.024 0.000 1.018 399 S HN 0.823 nan 8.310 nan 0.000 0.532 400 N N 0.149 118.881 118.700 0.053 0.000 2.476 400 N HA 0.375 5.115 4.740 -0.000 0.000 0.287 400 N C 1.248 176.817 175.510 0.098 0.000 1.262 400 N CA -0.365 52.725 53.050 0.067 0.000 0.980 400 N CB -0.535 37.989 38.487 0.062 0.000 1.163 400 N HN 0.527 nan 8.380 nan 0.000 0.592 401 G N -0.710 108.162 108.800 0.120 0.000 2.422 401 G HA2 -0.110 3.850 3.960 -0.000 0.000 0.218 401 G HA3 -0.110 3.850 3.960 -0.000 0.000 0.218 401 G C 1.290 176.367 174.900 0.294 0.000 1.140 401 G CA 0.271 45.480 45.100 0.182 0.000 0.775 401 G HN 0.448 nan 8.290 nan 0.000 0.545 402 L N 1.682 123.023 121.223 0.197 0.000 2.275 402 L HA -0.075 4.265 4.340 -0.000 0.000 0.215 402 L C 3.178 180.032 176.870 -0.026 0.000 1.119 402 L CA 1.187 56.061 54.840 0.057 0.000 0.790 402 L CB -0.188 41.860 42.059 -0.019 0.000 0.919 402 L HN 0.415 nan 8.230 nan 0.000 0.443 403 S N -0.262 115.489 115.700 0.085 0.000 2.423 403 S HA -0.140 4.330 4.470 -0.000 0.000 0.231 403 S C 1.829 176.482 174.600 0.089 0.000 1.014 403 S CA 0.653 58.924 58.200 0.119 0.000 0.965 403 S CB -0.569 62.693 63.200 0.102 0.000 0.785 403 S HN 0.412 nan 8.310 nan 0.000 0.495 404 L N 1.002 122.336 121.223 0.186 0.000 2.450 404 L HA -0.096 4.244 4.340 -0.000 0.000 0.224 404 L C 2.797 179.944 176.870 0.462 0.000 1.149 404 L CA 0.975 56.057 54.840 0.403 0.000 0.816 404 L CB -0.647 41.734 42.059 0.537 0.000 0.932 404 L HN 0.441 nan 8.230 nan 0.000 0.449 405 Q N -1.144 118.528 119.800 -0.214 0.000 2.291 405 Q HA -0.186 4.154 4.340 -0.000 0.000 0.206 405 Q C 1.348 177.162 176.000 -0.310 0.000 0.976 405 Q CA 1.427 56.787 55.803 -0.740 0.000 0.875 405 Q CB 0.067 27.797 28.738 -1.679 0.000 0.927 405 Q HN 0.574 nan 8.270 nan 0.000 0.450 406 Y N -1.265 119.125 120.300 0.151 0.000 2.607 406 Y HA 0.273 4.823 4.550 -0.000 0.000 0.276 406 Y C 0.495 176.165 175.900 -0.383 0.000 1.117 406 Y CA -0.250 57.859 58.100 0.014 0.000 1.273 406 Y CB 0.899 39.328 38.460 -0.053 0.000 1.282 406 Y HN -0.104 nan 8.280 nan 0.000 0.514 407 D N -1.988 118.037 120.400 -0.625 0.000 2.694 407 D HA 0.506 5.146 4.640 -0.000 0.000 0.260 407 D C -0.578 175.039 176.300 -1.139 0.000 1.250 407 D CA 0.380 53.622 54.000 -1.264 0.000 0.763 407 D CB 1.866 42.342 40.800 -0.539 0.000 1.311 407 D HN 0.266 nan 8.370 nan 0.000 0.420 408 G N 0.363 108.395 108.800 -1.279 0.000 2.340 408 G HA2 0.411 4.371 3.960 -0.000 0.000 0.299 408 G HA3 0.411 4.371 3.960 -0.000 0.000 0.299 408 G C -1.646 173.138 174.900 -0.192 0.000 1.291 408 G CA -0.639 44.183 45.100 -0.463 0.000 0.841 408 G HN 0.397 nan 8.290 nan 0.000 0.500 409 E N -0.326 119.920 120.200 0.077 0.000 2.179 409 E HA 0.543 4.893 4.350 -0.000 0.000 0.275 409 E C -0.550 176.183 176.600 0.221 0.000 0.945 409 E CA -0.695 55.781 56.400 0.127 0.000 0.792 409 E CB 1.454 31.198 29.700 0.073 0.000 1.125 409 E HN 0.338 nan 8.360 nan 0.000 0.397 410 I N 2.879 123.578 120.570 0.215 0.000 2.371 410 I HA 0.087 4.257 4.170 -0.000 0.000 0.290 410 I C 0.211 176.393 176.117 0.108 0.000 1.028 410 I CA 0.089 61.491 61.300 0.169 0.000 1.345 410 I CB 1.409 39.507 38.000 0.164 0.000 1.407 410 I HN 0.230 nan 8.210 nan 0.000 0.501 411 S N 4.704 120.450 115.700 0.076 0.000 2.605 411 S HA 0.432 4.902 4.470 -0.000 0.000 0.308 411 S C -0.140 174.484 174.600 0.040 0.000 1.113 411 S CA -0.742 57.498 58.200 0.067 0.000 1.049 411 S CB 0.825 64.061 63.200 0.059 0.000 1.001 411 S HN 0.712 nan 8.310 nan 0.000 0.480 412 T N 2.329 116.930 114.554 0.080 0.000 2.907 412 T HA 0.516 4.866 4.350 -0.000 0.000 0.298 412 T C 0.641 175.384 174.700 0.073 0.000 1.017 412 T CA -0.371 61.756 62.100 0.044 0.000 1.118 412 T CB 0.725 69.707 68.868 0.191 0.000 0.948 412 T HN 0.723 nan 8.240 nan 0.000 0.531 413 T N 0.364 114.900 114.554 -0.029 0.000 2.912 413 T HA 0.438 4.788 4.350 -0.000 0.000 0.280 413 T C 1.086 175.857 174.700 0.117 0.000 0.989 413 T CA -1.150 60.971 62.100 0.034 0.000 0.995 413 T CB 1.129 69.983 68.868 -0.024 0.000 1.077 413 T HN 0.460 nan 8.240 nan 0.000 0.531 414 K N 0.334 120.838 120.400 0.174 0.000 2.362 414 K HA 0.077 4.397 4.320 -0.000 0.000 0.200 414 K C 2.037 178.757 176.600 0.199 0.000 1.046 414 K CA 0.907 57.342 56.287 0.247 0.000 0.952 414 K CB -0.466 32.147 32.500 0.188 0.000 0.753 414 K HN 0.673 nan 8.250 nan 0.000 0.466 415 M N 0.327 120.011 119.600 0.140 0.000 2.175 415 M HA -0.120 4.360 4.480 -0.000 0.000 0.264 415 M C 2.204 178.556 176.300 0.086 0.000 1.063 415 M CA 1.107 56.531 55.300 0.206 0.000 1.119 415 M CB -0.234 32.518 32.600 0.253 0.000 1.377 415 M HN 0.079 nan 8.290 nan 0.000 0.415 416 L N -0.718 120.394 121.223 -0.186 0.000 2.017 416 L HA -0.190 4.150 4.340 -0.000 0.000 0.208 416 L C 1.959 178.591 176.870 -0.397 0.000 1.073 416 L CA 1.841 56.412 54.840 -0.448 0.000 0.745 416 L CB -0.246 41.323 42.059 -0.815 0.000 0.894 416 L HN 0.333 nan 8.230 nan 0.000 0.432 417 W N -0.203 121.118 121.300 0.036 0.000 2.388 417 W HA -0.162 4.498 4.660 -0.000 0.000 0.294 417 W C 2.800 179.353 176.519 0.057 0.000 1.212 417 W CA 1.290 58.652 57.345 0.028 0.000 1.271 417 W CB -0.819 28.651 29.460 0.016 0.000 1.126 417 W HN 0.290 nan 8.180 nan 0.000 0.535 418 T N -3.677 111.031 114.554 0.256 0.000 2.904 418 T HA -0.119 4.231 4.350 -0.000 0.000 0.267 418 T C 1.551 176.373 174.700 0.204 0.000 1.059 418 T CA 1.689 63.913 62.100 0.207 0.000 1.137 418 T CB -0.894 68.094 68.868 0.201 0.000 0.879 418 T HN -0.038 nan 8.240 nan 0.000 0.467 419 T N 2.361 117.031 114.554 0.193 0.000 2.708 419 T HA 0.071 4.421 4.350 -0.000 0.000 0.266 419 T C 2.484 177.229 174.700 0.075 0.000 1.037 419 T CA 1.331 63.529 62.100 0.163 0.000 1.146 419 T CB -0.881 68.194 68.868 0.345 0.000 0.865 419 T HN 0.598 nan 8.240 nan 0.000 0.435 420 A N 2.283 125.141 122.820 0.063 0.000 1.978 420 A HA -0.190 4.130 4.320 -0.000 0.000 0.220 420 A C 2.243 179.896 177.584 0.115 0.000 1.170 420 A CA 1.434 53.503 52.037 0.053 0.000 0.636 420 A CB -0.736 18.307 19.000 0.072 0.000 0.810 420 A HN 0.461 nan 8.150 nan 0.000 0.448 421 N N -1.361 117.412 118.700 0.123 0.000 2.137 421 N HA -0.214 4.526 4.740 -0.000 0.000 0.190 421 N C 1.541 177.010 175.510 -0.067 0.000 1.017 421 N CA 2.050 55.132 53.050 0.054 0.000 0.859 421 N CB -0.315 38.096 38.487 -0.126 0.000 1.002 421 N HN 0.706 nan 8.380 nan 0.000 0.428 422 Y N 0.880 121.112 120.300 -0.114 0.000 2.190 422 Y HA -0.068 4.482 4.550 -0.000 0.000 0.290 422 Y C 2.923 178.463 175.900 -0.600 0.000 1.115 422 Y CA 1.206 59.079 58.100 -0.379 0.000 1.107 422 Y CB -0.820 37.273 38.460 -0.611 0.000 1.033 422 Y HN 0.056 nan 8.280 nan 0.000 0.502 423 S N -0.072 115.237 115.700 -0.651 0.000 2.383 423 S HA -0.277 4.193 4.470 -0.000 0.000 0.229 423 S C 1.939 176.396 174.600 -0.238 0.000 1.030 423 S CA 1.391 59.198 58.200 -0.656 0.000 1.002 423 S CB -1.238 61.751 63.200 -0.351 0.000 0.829 423 S HN 0.431 nan 8.310 nan 0.000 0.467 424 F N 0.920 120.662 119.950 -0.347 0.000 2.259 424 F HA 0.193 4.720 4.527 -0.000 0.000 0.298 424 F C 1.326 176.722 175.800 -0.673 0.000 1.088 424 F CA 0.946 58.614 58.000 -0.553 0.000 1.358 424 F CB 0.037 38.580 39.000 -0.762 0.000 1.040 424 F HN 0.184 nan 8.300 nan 0.000 0.505 425 F N -1.220 118.719 119.950 -0.018 0.000 2.653 425 F HA 0.231 4.758 4.527 -0.000 0.000 0.288 425 F C 0.580 176.356 175.800 -0.039 0.000 1.121 425 F CA -0.032 57.950 58.000 -0.029 0.000 1.384 425 F CB -0.242 38.767 39.000 0.016 0.000 1.115 425 F HN -0.463 nan 8.300 nan 0.000 0.599 426 V N 3.885 123.849 119.914 0.082 0.000 2.299 426 V HA 0.270 4.390 4.120 -0.000 0.000 0.255 426 V C 0.172 176.344 176.094 0.130 0.000 1.100 426 V CA -0.599 61.740 62.300 0.065 0.000 0.938 426 V CB -0.447 31.331 31.823 -0.074 0.000 1.139 426 V HN 0.039 nan 8.190 nan 0.000 0.490 427 R N 4.262 124.819 120.500 0.096 0.000 2.573 427 R HA 0.439 4.779 4.340 -0.000 0.000 0.272 427 R C -2.611 173.743 176.300 0.089 0.000 1.009 427 R CA -2.341 53.799 56.100 0.066 0.000 1.059 427 R CB 0.842 31.149 30.300 0.012 0.000 1.112 427 R HN 0.267 nan 8.270 nan 0.000 0.517 428 P HA -0.047 nan 4.420 nan 0.000 0.260 428 P C 0.668 178.015 177.300 0.077 0.000 1.172 428 P CA 1.203 64.344 63.100 0.069 0.000 0.760 428 P CB 0.323 32.055 31.700 0.053 0.000 0.773 429 G N 2.165 111.023 108.800 0.095 0.000 2.232 429 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.226 429 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.226 429 G C 0.290 175.255 174.900 0.109 0.000 0.996 429 G CA -0.340 44.817 45.100 0.095 0.000 0.626 429 G HN 0.449 nan 8.290 nan 0.000 0.509 430 M N 0.836 120.513 119.600 0.128 0.000 2.245 430 M HA 0.371 4.851 4.480 -0.000 0.000 0.330 430 M C 0.504 176.919 176.300 0.191 0.000 1.098 430 M CA 0.684 56.081 55.300 0.162 0.000 1.172 430 M CB 0.602 33.324 32.600 0.202 0.000 1.467 430 M HN 0.101 nan 8.290 nan 0.000 0.454 431 K N 1.434 121.947 120.400 0.189 0.000 2.207 431 K HA 0.416 4.736 4.320 -0.000 0.000 0.255 431 K C -0.622 176.110 176.600 0.220 0.000 0.941 431 K CA -0.849 55.550 56.287 0.187 0.000 0.825 431 K CB 1.984 34.550 32.500 0.111 0.000 1.119 431 K HN 0.535 nan 8.250 nan 0.000 0.430 432 R N 3.488 124.133 120.500 0.241 0.000 2.537 432 R HA 0.177 4.517 4.340 -0.000 0.000 0.280 432 R C -0.094 176.250 176.300 0.073 0.000 1.058 432 R CA 0.074 56.205 56.100 0.052 0.000 1.057 432 R CB 0.197 30.551 30.300 0.091 0.000 0.973 432 R HN 0.656 nan 8.270 nan 0.000 0.438 433 I N 0.044 120.604 120.570 -0.016 0.000 3.108 433 I HA 0.639 4.809 4.170 -0.000 0.000 0.312 433 I C -0.602 175.579 176.117 0.107 0.000 1.095 433 I CA -1.493 59.800 61.300 -0.012 0.000 1.000 433 I CB 2.003 39.980 38.000 -0.038 0.000 1.229 433 I HN 0.620 nan 8.210 nan 0.000 0.454 434 A N 3.189 126.067 122.820 0.097 0.000 2.425 434 A HA 0.604 4.924 4.320 -0.000 0.000 0.249 434 A C -0.442 177.209 177.584 0.111 0.000 1.084 434 A CA -0.167 51.996 52.037 0.211 0.000 0.781 434 A CB 0.260 19.346 19.000 0.143 0.000 1.019 434 A HN 0.781 nan 8.150 nan 0.000 0.490 435 I N 1.095 121.742 120.570 0.127 0.000 2.531 435 I HA 0.608 4.778 4.170 -0.000 0.000 0.283 435 I C -0.151 176.095 176.117 0.214 0.000 1.083 435 I CA -0.214 61.171 61.300 0.142 0.000 1.071 435 I CB 1.149 39.207 38.000 0.097 0.000 1.210 435 I HN 0.712 nan 8.210 nan 0.000 0.450 436 K N 8.240 128.755 120.400 0.193 0.000 2.221 436 K HA 0.833 5.153 4.320 -0.000 0.000 0.258 436 K C -3.122 173.512 176.600 0.057 0.000 0.944 436 K CA -1.658 54.717 56.287 0.146 0.000 0.823 436 K CB 1.027 33.571 32.500 0.075 0.000 1.113 436 K HN 0.447 nan 8.250 nan 0.000 0.431 437 P HA 0.189 nan 4.420 nan 0.000 0.276 437 P C 0.750 177.883 177.300 -0.279 0.000 1.261 437 P CA 0.092 62.855 63.100 -0.561 0.000 0.800 437 P CB 0.934 32.188 31.700 -0.745 0.000 1.066 438 T N -4.445 109.934 114.554 -0.292 0.000 2.904 438 T HA -0.021 4.329 4.350 -0.000 0.000 0.267 438 T C 1.048 175.671 174.700 -0.127 0.000 1.059 438 T CA 0.962 62.968 62.100 -0.157 0.000 1.137 438 T CB -1.322 67.468 68.868 -0.130 0.000 0.879 438 T HN 0.488 nan 8.240 nan 0.000 0.467 439 Y N 0.835 121.040 120.300 -0.158 0.000 2.342 439 Y HA 0.763 5.313 4.550 -0.000 0.000 0.338 439 Y C 0.532 176.379 175.900 -0.089 0.000 0.965 439 Y CA -2.145 55.893 58.100 -0.102 0.000 1.159 439 Y CB -0.308 38.100 38.460 -0.088 0.000 1.157 439 Y HN 0.596 nan 8.280 nan 0.000 0.486 440 K N 1.481 121.850 120.400 -0.052 0.000 2.484 440 K HA 0.654 4.974 4.320 -0.000 0.000 0.280 440 K C -0.212 176.379 176.600 -0.015 0.000 1.013 440 K CA 0.709 56.980 56.287 -0.027 0.000 1.029 440 K CB -0.662 31.829 32.500 -0.015 0.000 0.902 440 K HN 2.356 nan 8.250 nan 0.000 0.481 441 I N 0.972 121.544 120.570 0.003 0.000 2.646 441 I HA 0.732 4.902 4.170 -0.000 0.000 0.299 441 I C 0.685 176.813 176.117 0.017 0.000 1.036 441 I CA -0.481 60.828 61.300 0.015 0.000 1.074 441 I CB 1.435 39.457 38.000 0.037 0.000 1.258 441 I HN 1.076 nan 8.210 nan 0.000 0.430 442 S N 2.072 117.778 115.700 0.010 0.000 2.601 442 S HA 0.256 4.726 4.470 -0.000 0.000 0.271 442 S C 0.529 175.134 174.600 0.007 0.000 1.305 442 S CA 0.190 58.392 58.200 0.005 0.000 1.022 442 S CB 0.916 64.114 63.200 -0.004 0.000 0.940 442 S HN 0.752 nan 8.310 nan 0.000 0.525 443 D N 0.587 120.988 120.400 0.002 0.000 2.149 443 D HA -0.141 4.499 4.640 -0.000 0.000 0.194 443 D C 1.706 177.997 176.300 -0.016 0.000 1.001 443 D CA 1.221 55.221 54.000 0.000 0.000 0.849 443 D CB -0.396 40.395 40.800 -0.014 0.000 0.939 443 D HN 0.501 nan 8.370 nan 0.000 0.449 444 L N 1.006 122.214 121.223 -0.025 0.000 2.093 444 L HA -0.105 4.235 4.340 -0.000 0.000 0.208 444 L C 1.875 178.723 176.870 -0.036 0.000 1.085 444 L CA 1.704 56.521 54.840 -0.039 0.000 0.755 444 L CB -0.309 41.728 42.059 -0.037 0.000 0.904 444 L HN -0.050 nan 8.230 nan 0.000 0.435 445 E N -0.650 119.539 120.200 -0.018 0.000 2.076 445 E HA -0.072 4.278 4.350 -0.000 0.000 0.190 445 E C 2.229 178.823 176.600 -0.010 0.000 0.979 445 E CA 0.837 57.232 56.400 -0.008 0.000 0.807 445 E CB -0.251 29.451 29.700 0.003 0.000 0.761 445 E HN 0.614 nan 8.360 nan 0.000 0.454 446 A N 1.566 124.382 122.820 -0.006 0.000 1.948 446 A HA -0.209 4.111 4.320 -0.000 0.000 0.220 446 A C 2.386 179.925 177.584 -0.075 0.000 1.177 446 A CA 1.777 53.805 52.037 -0.014 0.000 0.636 446 A CB -0.738 18.269 19.000 0.012 0.000 0.815 446 A HN 0.304 nan 8.150 nan 0.000 0.449 447 A N -0.696 122.061 122.820 -0.105 0.000 2.076 447 A HA -0.065 4.255 4.320 -0.000 0.000 0.220 447 A C 2.098 179.484 177.584 -0.330 0.000 1.160 447 A CA 2.300 54.207 52.037 -0.215 0.000 0.653 447 A CB -0.882 18.008 19.000 -0.183 0.000 0.801 447 A HN 0.870 nan 8.150 nan 0.000 0.455 448 T N -4.146 110.322 114.554 -0.143 0.000 3.044 448 T HA 0.284 4.634 4.350 -0.000 0.000 0.260 448 T C 1.201 175.978 174.700 0.128 0.000 1.019 448 T CA 0.783 62.874 62.100 -0.016 0.000 0.921 448 T CB 0.096 68.993 68.868 0.047 0.000 1.053 448 T HN 0.570 nan 8.240 nan 0.000 0.533 449 S N 0.948 116.690 115.700 0.069 0.000 3.316 449 S HA 0.602 5.072 4.470 -0.000 0.000 0.174 449 S C -0.390 174.264 174.600 0.090 0.000 0.734 449 S CA -0.437 57.822 58.200 0.098 0.000 0.861 449 S CB 0.032 63.272 63.200 0.066 0.000 1.009 449 S HN 0.291 nan 8.310 nan 0.000 0.728 450 L N 1.454 122.703 121.223 0.042 0.000 2.439 450 L HA 0.706 5.046 4.340 -0.000 0.000 0.270 450 L C -1.638 175.194 176.870 -0.064 0.000 0.972 450 L CA -0.501 54.348 54.840 0.014 0.000 0.836 450 L CB 1.727 43.825 42.059 0.064 0.000 1.255 450 L HN 0.576 nan 8.230 nan 0.000 0.404 451 M N 6.597 126.079 119.600 -0.195 0.000 2.311 451 M HA 0.606 5.086 4.480 -0.000 0.000 0.325 451 M C -1.121 174.944 176.300 -0.392 0.000 1.061 451 M CA -0.408 54.599 55.300 -0.488 0.000 0.957 451 M CB 2.224 34.239 32.600 -0.974 0.000 1.646 451 M HN 0.633 nan 8.290 nan 0.000 0.434 452 I N 2.294 122.754 120.570 -0.184 0.000 2.775 452 I HA 0.694 4.864 4.170 -0.000 0.000 0.295 452 I C -1.340 174.880 176.117 0.172 0.000 1.287 452 I CA -0.009 61.252 61.300 -0.064 0.000 1.029 452 I CB 1.916 39.690 38.000 -0.377 0.000 1.282 452 I HN 0.857 nan 8.210 nan 0.000 0.426 453 S N 3.830 119.632 115.700 0.171 0.000 2.579 453 S HA 0.810 5.280 4.470 -0.000 0.000 0.272 453 S C -1.158 173.441 174.600 -0.002 0.000 1.141 453 S CA -0.678 57.580 58.200 0.098 0.000 0.843 453 S CB 1.955 65.272 63.200 0.195 0.000 1.122 453 S HN 0.598 nan 8.310 nan 0.000 0.468 454 S N 0.331 115.855 115.700 -0.293 0.000 2.599 454 S HA 0.861 5.331 4.470 -0.000 0.000 0.287 454 S C -1.862 172.353 174.600 -0.642 0.000 1.105 454 S CA -0.632 57.425 58.200 -0.239 0.000 0.899 454 S CB 0.963 64.126 63.200 -0.063 0.000 1.100 454 S HN 0.713 nan 8.310 nan 0.000 0.482 455 Y N -0.267 120.104 120.300 0.118 0.000 2.581 455 Y HA 0.701 5.250 4.550 -0.000 0.000 0.337 455 Y C 0.102 176.066 175.900 0.107 0.000 1.108 455 Y CA -0.782 57.395 58.100 0.129 0.000 1.033 455 Y CB 2.354 40.912 38.460 0.164 0.000 1.318 455 Y HN 0.625 nan 8.280 nan 0.000 0.459 456 T N 0.303 114.994 114.554 0.230 0.000 2.889 456 T HA 0.282 4.632 4.350 -0.000 0.000 0.315 456 T C -1.067 173.716 174.700 0.138 0.000 1.291 456 T CA -0.665 61.530 62.100 0.158 0.000 1.028 456 T CB 1.062 69.989 68.868 0.098 0.000 1.235 456 T HN 0.792 nan 8.240 nan 0.000 0.491 457 D N 0.889 121.357 120.400 0.115 0.000 2.440 457 D HA 0.281 4.921 4.640 -0.000 0.000 0.216 457 D C 1.410 177.752 176.300 0.070 0.000 1.150 457 D CA 0.553 54.607 54.000 0.091 0.000 0.832 457 D CB -0.177 40.674 40.800 0.085 0.000 0.992 457 D HN 1.106 nan 8.370 nan 0.000 0.502 458 G N 0.829 109.669 108.800 0.066 0.000 2.179 458 G HA2 -0.386 3.574 3.960 -0.000 0.000 0.260 458 G HA3 -0.386 3.574 3.960 -0.000 0.000 0.260 458 G C 1.064 175.996 174.900 0.052 0.000 0.977 458 G CA 0.718 45.849 45.100 0.052 0.000 0.641 458 G HN 0.481 nan 8.290 nan 0.000 0.533 459 K N -0.525 119.912 120.400 0.061 0.000 2.443 459 K HA 0.299 4.619 4.320 -0.000 0.000 0.200 459 K C 0.723 177.366 176.600 0.072 0.000 1.278 459 K CA 0.205 56.528 56.287 0.061 0.000 0.925 459 K CB 0.870 33.405 32.500 0.058 0.000 1.225 459 K HN 0.365 nan 8.250 nan 0.000 0.514 460 E N 0.968 121.220 120.200 0.087 0.000 2.238 460 E HA 0.362 4.712 4.350 -0.000 0.000 0.267 460 E C -1.477 175.187 176.600 0.106 0.000 0.887 460 E CA -0.711 55.751 56.400 0.103 0.000 0.769 460 E CB 2.698 32.477 29.700 0.131 0.000 1.187 460 E HN -0.214 nan 8.360 nan 0.000 0.416 461 V N 3.211 123.184 119.914 0.099 0.000 2.409 461 V HA 0.307 4.427 4.120 -0.000 0.000 0.291 461 V C -0.477 175.685 176.094 0.112 0.000 1.020 461 V CA -0.755 61.606 62.300 0.102 0.000 0.848 461 V CB 1.607 33.471 31.823 0.069 0.000 0.990 461 V HN 0.395 nan 8.190 nan 0.000 0.430 462 V N 4.183 124.192 119.914 0.158 0.000 2.384 462 V HA 0.540 4.660 4.120 -0.000 0.000 0.287 462 V C 0.168 176.372 176.094 0.183 0.000 1.020 462 V CA -0.178 62.218 62.300 0.160 0.000 0.850 462 V CB 1.929 33.886 31.823 0.224 0.000 0.987 462 V HN 0.948 nan 8.190 nan 0.000 0.436 463 T N 4.399 119.001 114.554 0.080 0.000 2.824 463 T HA 0.627 4.977 4.350 -0.000 0.000 0.282 463 T C -0.571 174.120 174.700 -0.014 0.000 0.993 463 T CA -0.441 61.692 62.100 0.055 0.000 0.967 463 T CB 1.792 70.656 68.868 -0.006 0.000 0.960 463 T HN 0.324 nan 8.240 nan 0.000 0.441 464 V N 2.444 122.360 119.914 0.003 0.000 2.407 464 V HA 0.778 4.897 4.120 -0.000 0.000 0.291 464 V C -0.146 175.889 176.094 -0.099 0.000 1.018 464 V CA -0.917 61.295 62.300 -0.146 0.000 0.842 464 V CB 1.367 32.914 31.823 -0.460 0.000 0.996 464 V HN 1.081 nan 8.190 nan 0.000 0.426 465 A N 6.445 129.184 122.820 -0.135 0.000 2.304 465 A HA 0.881 5.201 4.320 -0.000 0.000 0.314 465 A C -0.667 176.858 177.584 -0.099 0.000 1.187 465 A CA -0.481 51.473 52.037 -0.139 0.000 0.810 465 A CB 0.615 19.514 19.000 -0.169 0.000 1.183 465 A HN 0.794 nan 8.150 nan 0.000 0.487 466 I N 2.665 123.181 120.570 -0.089 0.000 2.321 466 I HA 0.209 4.379 4.170 -0.000 0.000 0.291 466 I C 0.005 176.123 176.117 0.002 0.000 0.998 466 I CA -0.618 60.670 61.300 -0.019 0.000 1.227 466 I CB 1.455 39.469 38.000 0.023 0.000 1.368 466 I HN 0.602 nan 8.210 nan 0.000 0.466 467 N N 5.479 124.192 118.700 0.023 0.000 2.645 467 N HA 0.060 4.800 4.740 -0.000 0.000 0.233 467 N C 0.152 175.707 175.510 0.076 0.000 1.058 467 N CA 0.011 53.086 53.050 0.041 0.000 0.942 467 N CB 0.270 38.764 38.487 0.011 0.000 1.210 467 N HN 0.490 nan 8.380 nan 0.000 0.512 468 Y N 1.880 122.176 120.300 -0.007 0.000 2.519 468 Y HA 0.077 4.627 4.550 -0.000 0.000 0.287 468 Y C 1.278 177.193 175.900 0.025 0.000 1.128 468 Y CA 0.238 58.347 58.100 0.014 0.000 1.282 468 Y CB 0.190 38.655 38.460 0.008 0.000 1.027 468 Y HN 0.455 nan 8.280 nan 0.000 0.551 469 S N -0.265 115.503 115.700 0.113 0.000 2.624 469 S HA 0.126 4.596 4.470 -0.000 0.000 0.263 469 S C 0.682 175.289 174.600 0.012 0.000 1.287 469 S CA -0.668 57.575 58.200 0.072 0.000 0.990 469 S CB 1.213 64.456 63.200 0.072 0.000 0.950 469 S HN 0.322 nan 8.310 nan 0.000 0.561 470 K N 0.642 121.051 120.400 0.014 0.000 2.476 470 K HA 0.220 4.540 4.320 -0.000 0.000 0.196 470 K C 0.551 177.154 176.600 0.005 0.000 1.025 470 K CA 0.591 56.878 56.287 -0.000 0.000 1.138 470 K CB -0.225 32.277 32.500 0.004 0.000 0.860 470 K HN 0.820 nan 8.250 nan 0.000 0.515 471 E N 1.460 121.668 120.200 0.013 0.000 2.199 471 E HA 0.231 4.581 4.350 -0.000 0.000 0.269 471 E C -0.876 175.731 176.600 0.011 0.000 0.899 471 E CA -1.031 55.376 56.400 0.012 0.000 0.772 471 E CB 0.551 30.262 29.700 0.018 0.000 1.155 471 E HN 0.121 nan 8.360 nan 0.000 0.408 472 N N 1.361 120.064 118.700 0.005 0.000 2.458 472 N HA 0.426 5.166 4.740 -0.000 0.000 0.258 472 N C 0.153 175.669 175.510 0.011 0.000 1.219 472 N CA 0.578 53.629 53.050 0.003 0.000 0.902 472 N CB 1.194 39.679 38.487 -0.004 0.000 1.076 472 N HN 0.944 nan 8.380 nan 0.000 0.455 473 Q N 0.239 120.047 119.800 0.014 0.000 2.387 473 Q HA 0.652 4.992 4.340 -0.000 0.000 0.273 473 Q C -0.786 175.228 176.000 0.024 0.000 1.089 473 Q CA -0.957 54.862 55.803 0.027 0.000 0.824 473 Q CB 1.653 30.417 28.738 0.043 0.000 1.367 473 Q HN 0.460 nan 8.270 nan 0.000 0.443 474 V N 2.252 122.187 119.914 0.034 0.000 2.555 474 V HA 0.803 4.923 4.120 -0.000 0.000 0.302 474 V C -0.030 176.102 176.094 0.064 0.000 1.038 474 V CA -0.474 61.846 62.300 0.033 0.000 0.887 474 V CB 1.075 32.911 31.823 0.021 0.000 0.991 474 V HN 1.032 nan 8.190 nan 0.000 0.434 475 I N 0.536 121.148 120.570 0.071 0.000 2.934 475 I HA 1.011 5.181 4.170 -0.000 0.000 0.306 475 I C -0.059 176.122 176.117 0.107 0.000 1.110 475 I CA -0.671 60.709 61.300 0.134 0.000 1.019 475 I CB 2.309 40.420 38.000 0.184 0.000 1.227 475 I HN 0.626 nan 8.210 nan 0.000 0.434 476 S N 4.112 119.897 115.700 0.143 0.000 2.449 476 S HA 0.759 5.229 4.470 -0.000 0.000 0.310 476 S C -0.923 173.764 174.600 0.146 0.000 1.096 476 S CA -0.544 57.718 58.200 0.104 0.000 1.095 476 S CB 1.188 64.428 63.200 0.067 0.000 1.007 476 S HN 0.585 nan 8.310 nan 0.000 0.474 477 L N 3.069 124.350 121.223 0.097 0.000 2.276 477 L HA 0.462 4.802 4.340 -0.000 0.000 0.286 477 L C -0.339 176.572 176.870 0.069 0.000 1.024 477 L CA -0.402 54.496 54.840 0.096 0.000 0.826 477 L CB 1.033 43.120 42.059 0.047 0.000 1.211 477 L HN 0.793 nan 8.230 nan 0.000 0.422 478 N N 3.666 122.412 118.700 0.076 0.000 2.485 478 N HA 0.364 5.104 4.740 -0.000 0.000 0.243 478 N C -1.372 174.152 175.510 0.023 0.000 0.987 478 N CA -0.346 52.730 53.050 0.042 0.000 0.940 478 N CB 0.651 39.161 38.487 0.039 0.000 1.122 478 N HN 0.634 nan 8.380 nan 0.000 0.509 479 C N 4.834 124.134 119.300 0.001 0.000 2.978 479 C HA 0.362 4.822 4.460 -0.000 0.000 0.274 479 C C 0.346 175.300 174.990 -0.060 0.000 1.087 479 C CA -0.386 58.623 59.018 -0.014 0.000 1.453 479 C CB -1.597 26.149 27.740 0.011 0.000 1.838 479 C HN 0.998 nan 8.230 nan 0.000 0.470 480 D N 1.854 122.172 120.400 -0.136 0.000 3.927 480 D HA -0.256 4.384 4.640 -0.000 0.000 0.142 480 D C 0.443 176.474 176.300 -0.447 0.000 0.830 480 D CA 2.384 56.184 54.000 -0.334 0.000 1.091 480 D CB -0.550 40.116 40.800 -0.224 0.000 0.495 480 D HN 0.883 nan 8.370 nan 0.000 0.489 481 H N -0.453 118.630 119.070 0.022 0.000 2.674 481 H HA 0.675 5.231 4.556 -0.000 0.000 0.274 481 H C -0.124 175.216 175.328 0.020 0.000 1.121 481 H CA 0.213 56.273 56.048 0.019 0.000 1.132 481 H CB 0.630 30.402 29.762 0.016 0.000 1.606 481 H HN 0.342 nan 8.280 nan 0.000 0.558 482 A N 0.826 123.691 122.820 0.075 0.000 2.425 482 A HA 0.408 4.728 4.320 -0.000 0.000 0.249 482 A C 1.346 178.961 177.584 0.051 0.000 1.084 482 A CA 0.528 52.600 52.037 0.059 0.000 0.781 482 A CB 0.192 19.216 19.000 0.040 0.000 1.019 482 A HN 0.609 nan 8.150 nan 0.000 0.490 483 Q N 1.717 121.544 119.800 0.045 0.000 2.423 483 Q HA 0.224 4.564 4.340 -0.000 0.000 0.231 483 Q C 0.701 176.715 176.000 0.023 0.000 0.894 483 Q CA 1.435 57.258 55.803 0.034 0.000 0.938 483 Q CB -0.247 28.509 28.738 0.031 0.000 1.079 483 Q HN 0.941 nan 8.270 nan 0.000 0.552 484 K N -1.923 118.491 120.400 0.023 0.000 2.443 484 K HA 0.794 5.114 4.320 -0.000 0.000 0.251 484 K C -0.365 176.248 176.600 0.020 0.000 0.972 484 K CA -0.679 55.617 56.287 0.014 0.000 0.833 484 K CB 2.192 34.697 32.500 0.010 0.000 1.317 484 K HN 0.234 nan 8.250 nan 0.000 0.441 485 G N 1.200 110.006 108.800 0.010 0.000 2.696 485 G HA2 0.370 4.330 3.960 -0.000 0.000 0.295 485 G HA3 0.370 4.330 3.960 -0.000 0.000 0.295 485 G C -1.535 173.369 174.900 0.006 0.000 1.398 485 G CA -1.029 44.084 45.100 0.021 0.000 0.920 485 G HN 0.440 nan 8.290 nan 0.000 0.492 486 K N 0.205 120.633 120.400 0.046 0.000 2.322 486 K HA 0.457 4.777 4.320 -0.000 0.000 0.283 486 K C -0.431 176.101 176.600 -0.113 0.000 1.042 486 K CA -0.273 56.031 56.287 0.029 0.000 0.958 486 K CB 1.773 34.374 32.500 0.169 0.000 0.984 486 K HN 0.166 nan 8.250 nan 0.000 0.473 487 V N 4.286 124.017 119.914 -0.305 0.000 2.513 487 V HA 0.342 4.462 4.120 -0.000 0.000 0.299 487 V C -1.134 174.663 176.094 -0.494 0.000 1.035 487 V CA -0.817 61.310 62.300 -0.287 0.000 0.889 487 V CB 0.817 32.513 31.823 -0.211 0.000 0.988 487 V HN 0.574 nan 8.190 nan 0.000 0.440 488 Y N 4.747 125.025 120.300 -0.038 0.000 2.391 488 Y HA 0.744 5.294 4.550 -0.000 0.000 0.341 488 Y C -0.506 175.376 175.900 -0.030 0.000 0.965 488 Y CA -0.808 57.305 58.100 0.020 0.000 1.067 488 Y CB 1.970 40.467 38.460 0.061 0.000 1.199 488 Y HN 0.471 nan 8.280 nan 0.000 0.450 489 L N 2.806 124.089 121.223 0.100 0.000 2.409 489 L HA 0.687 5.027 4.340 -0.000 0.000 0.272 489 L C -0.797 176.085 176.870 0.019 0.000 0.980 489 L CA -0.235 54.620 54.840 0.024 0.000 0.826 489 L CB 2.187 44.227 42.059 -0.033 0.000 1.268 489 L HN 0.626 nan 8.230 nan 0.000 0.407 490 T N 3.107 117.679 114.554 0.031 0.000 2.786 490 T HA 0.745 5.095 4.350 -0.000 0.000 0.283 490 T C -0.106 174.609 174.700 0.024 0.000 0.992 490 T CA -0.320 61.803 62.100 0.038 0.000 0.954 490 T CB 1.190 70.127 68.868 0.115 0.000 0.934 490 T HN 0.796 nan 8.240 nan 0.000 0.440 491 T N -0.190 114.367 114.554 0.006 0.000 2.669 491 T HA 0.517 4.867 4.350 -0.000 0.000 0.283 491 T C 1.328 176.033 174.700 0.007 0.000 1.019 491 T CA -0.900 61.201 62.100 0.002 0.000 1.039 491 T CB 0.663 69.520 68.868 -0.017 0.000 1.374 491 T HN 0.356 nan 8.240 nan 0.000 0.523 492 I N 0.409 120.979 120.570 0.001 0.000 2.315 492 I HA -0.163 4.007 4.170 -0.000 0.000 0.251 492 I C 0.960 177.075 176.117 -0.004 0.000 1.125 492 I CA 1.910 63.213 61.300 0.005 0.000 1.392 492 I CB -0.073 37.926 38.000 -0.002 0.000 1.065 492 I HN 0.554 nan 8.210 nan 0.000 0.424 493 D N 0.330 120.718 120.400 -0.019 0.000 2.392 493 D HA 0.112 4.752 4.640 -0.000 0.000 0.206 493 D C 0.183 176.449 176.300 -0.058 0.000 1.046 493 D CA 0.520 54.500 54.000 -0.032 0.000 0.865 493 D CB 0.408 41.188 40.800 -0.034 0.000 0.969 493 D HN 0.311 nan 8.370 nan 0.000 0.509 494 K N 1.169 121.529 120.400 -0.068 0.000 2.376 494 K HA 0.332 4.652 4.320 -0.000 0.000 0.257 494 K C -0.792 175.703 176.600 -0.175 0.000 0.939 494 K CA -0.657 55.562 56.287 -0.114 0.000 0.809 494 K CB 1.674 34.123 32.500 -0.084 0.000 1.121 494 K HN -0.266 nan 8.250 nan 0.000 0.425 495 N N 3.503 121.982 118.700 -0.368 0.000 2.645 495 N HA 0.103 4.843 4.740 -0.000 0.000 0.233 495 N C -0.529 174.587 175.510 -0.658 0.000 1.058 495 N CA -0.449 52.133 53.050 -0.780 0.000 0.942 495 N CB 0.472 38.007 38.487 -1.588 0.000 1.210 495 N HN 0.525 nan 8.380 nan 0.000 0.512 496 L N 1.106 122.205 121.223 -0.208 0.000 3.895 496 L HA -0.277 4.063 4.340 -0.000 0.000 0.511 496 L C -0.534 176.331 176.870 -0.007 0.000 1.222 496 L CA 0.720 55.556 54.840 -0.006 0.000 0.739 496 L CB -0.580 41.570 42.059 0.151 0.000 1.425 496 L HN 0.412 nan 8.230 nan 0.000 0.817 497 R N 1.716 122.211 120.500 -0.009 0.000 2.308 497 R HA 0.227 4.567 4.340 -0.000 0.000 0.305 497 R C -0.301 176.069 176.300 0.116 0.000 1.053 497 R CA -0.633 55.477 56.100 0.015 0.000 0.957 497 R CB 0.709 30.972 30.300 -0.060 0.000 1.022 497 R HN 0.328 nan 8.270 nan 0.000 0.461 498 Y N 3.386 123.702 120.300 0.026 0.000 2.465 498 Y HA 0.006 4.556 4.550 -0.000 0.000 0.331 498 Y C 0.616 176.396 175.900 -0.199 0.000 1.102 498 Y CA 0.140 58.157 58.100 -0.139 0.000 1.358 498 Y CB 0.718 39.148 38.460 -0.050 0.000 1.213 498 Y HN 0.431 nan 8.280 nan 0.000 0.525 499 M N 5.693 124.808 119.600 -0.810 0.000 2.484 499 M HA 0.281 4.761 4.480 -0.000 0.000 0.307 499 M C 0.732 176.546 176.300 -0.811 0.000 1.149 499 M CA 0.554 55.467 55.300 -0.644 0.000 0.972 499 M CB -0.767 31.618 32.600 -0.358 0.000 1.400 499 M HN 0.919 nan 8.290 nan 0.000 0.508 500 G N 1.691 109.550 108.800 -1.568 0.000 2.828 500 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.463 500 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.463 500 G C -0.721 173.936 174.900 -0.405 0.000 1.394 500 G CA -0.817 43.732 45.100 -0.919 0.000 0.862 500 G HN 0.452 nan 8.290 nan 0.000 0.540 501 E N 0.188 120.308 120.200 -0.133 0.000 2.344 501 E HA 0.437 4.787 4.350 -0.000 0.000 0.270 501 E C 0.298 176.845 176.600 -0.089 0.000 1.021 501 E CA 0.212 56.577 56.400 -0.058 0.000 0.887 501 E CB 0.897 30.597 29.700 0.000 0.000 0.997 501 E HN 0.490 nan 8.360 nan 0.000 0.429 502 Q N 3.098 122.853 119.800 -0.075 0.000 2.365 502 Q HA 0.334 4.674 4.340 -0.000 0.000 0.269 502 Q C -2.520 173.457 176.000 -0.039 0.000 1.061 502 Q CA -2.321 53.439 55.803 -0.072 0.000 0.816 502 Q CB 1.781 30.464 28.738 -0.091 0.000 1.325 502 Q HN 0.242 nan 8.270 nan 0.000 0.446 503 P HA 0.020 nan 4.420 nan 0.000 0.271 503 P C 0.051 177.346 177.300 -0.008 0.000 1.220 503 P CA 0.282 63.374 63.100 -0.013 0.000 0.768 503 P CB 0.742 32.435 31.700 -0.012 0.000 0.848 504 L N 2.395 123.620 121.223 0.004 0.000 2.201 504 L HA -0.194 4.146 4.340 -0.000 0.000 0.212 504 L C 2.746 179.629 176.870 0.021 0.000 1.105 504 L CA 2.166 57.013 54.840 0.012 0.000 0.775 504 L CB -1.157 40.914 42.059 0.020 0.000 0.913 504 L HN 0.355 nan 8.230 nan 0.000 0.440 505 K N 0.924 121.336 120.400 0.020 0.000 2.283 505 K HA 0.022 4.342 4.320 -0.000 0.000 0.202 505 K C 1.198 177.811 176.600 0.022 0.000 1.048 505 K CA 1.669 57.971 56.287 0.025 0.000 0.948 505 K CB -0.783 31.729 32.500 0.020 0.000 0.742 505 K HN 0.397 nan 8.250 nan 0.000 0.458 506 K N 0.740 121.147 120.400 0.012 0.000 2.756 506 K HA 0.644 4.964 4.320 -0.000 0.000 0.218 506 K C -0.943 175.654 176.600 -0.005 0.000 1.057 506 K CA -0.488 55.803 56.287 0.006 0.000 1.056 506 K CB 0.078 32.578 32.500 -0.000 0.000 1.235 506 K HN 0.257 nan 8.250 nan 0.000 0.547 507 L N 2.386 123.609 121.223 -0.000 0.000 2.280 507 L HA 0.602 4.942 4.340 -0.000 0.000 0.287 507 L C 0.799 177.659 176.870 -0.016 0.000 1.023 507 L CA -1.087 53.742 54.840 -0.017 0.000 0.819 507 L CB 1.931 43.979 42.059 -0.019 0.000 1.212 507 L HN 0.823 nan 8.230 nan 0.000 0.420 508 Q N 5.585 125.367 119.800 -0.029 0.000 2.314 508 Q HA 0.527 4.867 4.340 -0.000 0.000 0.257 508 Q C -0.750 175.231 176.000 -0.031 0.000 0.975 508 Q CA -0.261 55.526 55.803 -0.026 0.000 0.933 508 Q CB 0.776 29.495 28.738 -0.032 0.000 1.195 508 Q HN 0.652 nan 8.270 nan 0.000 0.426 509 L N 4.839 126.050 121.223 -0.021 0.000 2.264 509 L HA 0.380 4.720 4.340 -0.000 0.000 0.287 509 L C -2.341 174.518 176.870 -0.018 0.000 1.039 509 L CA -2.055 52.771 54.840 -0.024 0.000 0.829 509 L CB 1.702 43.748 42.059 -0.021 0.000 1.211 509 L HN 0.499 nan 8.230 nan 0.000 0.427 510 P HA 0.044 nan 4.420 nan 0.000 0.269 510 P C -0.225 177.066 177.300 -0.015 0.000 1.215 510 P CA -0.266 62.822 63.100 -0.020 0.000 0.780 510 P CB 0.665 32.349 31.700 -0.026 0.000 0.898 511 A N 3.456 126.268 122.820 -0.013 0.000 2.531 511 A HA 0.088 4.408 4.320 -0.000 0.000 0.236 511 A C 0.527 178.095 177.584 -0.027 0.000 1.062 511 A CA 0.032 52.061 52.037 -0.014 0.000 0.760 511 A CB -0.504 18.488 19.000 -0.013 0.000 0.995 511 A HN 0.627 nan 8.150 nan 0.000 0.501 512 R N -0.671 119.804 120.500 -0.042 0.000 3.267 512 R HA -0.146 4.194 4.340 -0.000 0.000 0.254 512 R C -0.016 176.261 176.300 -0.037 0.000 0.993 512 R CA 1.158 57.215 56.100 -0.072 0.000 0.670 512 R CB -2.919 27.331 30.300 -0.083 0.000 1.125 512 R HN 1.555 nan 8.270 nan 0.000 0.434 513 S N -2.529 113.161 115.700 -0.017 0.000 2.595 513 S HA 0.789 5.259 4.470 -0.000 0.000 0.281 513 S C -0.176 174.430 174.600 0.009 0.000 1.117 513 S CA -0.796 57.402 58.200 -0.003 0.000 0.873 513 S CB 3.465 66.657 63.200 -0.013 0.000 1.108 513 S HN 0.021 nan 8.310 nan 0.000 0.477 514 V N 1.106 121.029 119.914 0.014 0.000 2.448 514 V HA 0.849 4.969 4.120 -0.000 0.000 0.295 514 V C 0.129 176.208 176.094 -0.025 0.000 1.025 514 V CA -0.491 61.806 62.300 -0.004 0.000 0.859 514 V CB 0.999 32.831 31.823 0.015 0.000 0.988 514 V HN 1.261 nan 8.190 nan 0.000 0.431 515 A N 3.105 125.889 122.820 -0.059 0.000 2.342 515 A HA 0.833 5.153 4.320 -0.000 0.000 0.323 515 A C -0.056 177.468 177.584 -0.100 0.000 1.125 515 A CA -0.503 51.498 52.037 -0.060 0.000 0.785 515 A CB 1.301 20.263 19.000 -0.064 0.000 1.221 515 A HN 0.712 nan 8.150 nan 0.000 0.463 516 T N 2.432 116.934 114.554 -0.086 0.000 2.794 516 T HA 0.565 4.915 4.350 -0.000 0.000 0.280 516 T C -0.487 174.149 174.700 -0.107 0.000 0.987 516 T CA 0.141 62.140 62.100 -0.168 0.000 0.993 516 T CB 0.448 69.106 68.868 -0.350 0.000 0.939 516 T HN 0.390 nan 8.240 nan 0.000 0.449 517 I N 3.236 123.745 120.570 -0.102 0.000 2.382 517 I HA 0.389 4.559 4.170 -0.000 0.000 0.286 517 I C -0.470 175.630 176.117 -0.027 0.000 1.002 517 I CA -0.698 60.572 61.300 -0.050 0.000 1.135 517 I CB 1.730 39.703 38.000 -0.045 0.000 1.288 517 I HN 0.303 nan 8.210 nan 0.000 0.448 518 V N 7.155 127.082 119.914 0.021 0.000 2.384 518 V HA 0.517 4.637 4.120 -0.000 0.000 0.287 518 V C 0.244 176.390 176.094 0.086 0.000 1.020 518 V CA -0.620 61.721 62.300 0.069 0.000 0.850 518 V CB 1.608 33.519 31.823 0.146 0.000 0.987 518 V HN 0.448 nan 8.190 nan 0.000 0.436 519 V N 0.000 119.961 119.914 0.079 0.000 2.409 519 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 519 V CA 0.000 62.340 62.300 0.067 0.000 1.235 519 V CB 0.000 31.854 31.823 0.052 0.000 1.184 519 V HN 0.000 nan 8.190 nan 0.000 0.556