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 1hr9_1_F DATA FIRST_RESID 20 DATA SEQUENCE ASQIPGTRTS KLPNGLTIAT EYIPNTSSAT VGIFVDAGSR AENVKNNGTA DATA SEQUENCE HFLQHLAFKG TQNRPQQGIE LEIENIGSHL NAYTSRENTV YYAKSLQEDI DATA SEQUENCE PKAVDILSDI LTKSVLDNSA IERERDVIIR ESEEVDKMYD EVVFDHLHEI DATA SEQUENCE TYKDQPLGRT ILGPIKNIKS ITRTDLKDYI TKNYKGDRMV LAGAGAVDHE DATA SEQUENCE KLVQYAQKYF GHVPKSESPV PLGSPRGPLP VFCRGERFIK ENTLPTTHIA DATA SEQUENCE IALEGVSWSA PDYFVALATQ AIVGNWDRAI GTGTNSPSPL AVAASQNGSL DATA SEQUENCE ANSYMSFSTS YADSGLWGMY IVTDSNEHNV RLIVNEILKE WKRIKSGKIS DATA SEQUENCE DAEVNRAKAQ LKAALLLSLD GSTAIVEDIG RQVVTTGKRL SPEEVFEQVD DATA SEQUENCE KITKDDIIMW ANYRLQNKPV SMVALGNTST VPNVSYIEEK LNQ 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 20 A HA 0.000 nan 4.320 nan 0.000 0.244 20 A C 0.000 177.588 177.584 0.007 0.000 1.274 20 A CA 0.000 52.043 52.037 0.010 0.000 0.836 20 A CB 0.000 19.003 19.000 0.004 0.000 0.831 21 S N 1.523 117.228 115.700 0.009 0.000 4.238 21 S HA 0.549 5.019 4.470 -0.000 0.000 0.167 21 S C 0.065 174.667 174.600 0.003 0.000 0.921 21 S CA -0.134 58.069 58.200 0.005 0.000 1.128 21 S CB 0.333 63.537 63.200 0.006 0.000 1.636 21 S HN 0.682 nan 8.310 nan 0.000 0.753 22 Q N 0.435 120.240 119.800 0.009 0.000 2.397 22 Q HA 0.565 4.905 4.340 -0.000 0.000 0.275 22 Q C -1.192 174.816 176.000 0.014 0.000 1.090 22 Q CA -0.514 55.292 55.803 0.006 0.000 0.809 22 Q CB 2.334 31.073 28.738 0.002 0.000 1.362 22 Q HN 0.575 nan 8.270 nan 0.000 0.431 23 I N 3.494 124.066 120.570 0.004 0.000 2.533 23 I HA 0.074 4.244 4.170 -0.000 0.000 0.284 23 I C -1.682 174.447 176.117 0.019 0.000 1.109 23 I CA -1.361 59.943 61.300 0.007 0.000 1.412 23 I CB 0.297 38.291 38.000 -0.010 0.000 1.396 23 I HN 0.233 nan 8.210 nan 0.000 0.543 24 P HA 0.038 nan 4.420 nan 0.000 0.264 24 P C 0.064 177.384 177.300 0.034 0.000 1.179 24 P CA 0.037 63.175 63.100 0.063 0.000 0.763 24 P CB 0.516 32.276 31.700 0.100 0.000 0.806 25 G N 0.670 109.486 108.800 0.026 0.000 2.735 25 G HA2 0.537 4.497 3.960 -0.000 0.000 0.301 25 G HA3 0.537 4.497 3.960 -0.000 0.000 0.301 25 G C -1.090 173.809 174.900 -0.000 0.000 1.279 25 G CA -0.577 44.525 45.100 0.004 0.000 1.019 25 G HN 0.359 nan 8.290 nan 0.000 0.497 26 T N 2.027 116.571 114.554 -0.017 0.000 2.738 26 T HA 0.351 4.701 4.350 -0.000 0.000 0.298 26 T C 0.242 174.900 174.700 -0.069 0.000 0.962 26 T CA -0.470 61.616 62.100 -0.024 0.000 0.972 26 T CB 0.484 69.338 68.868 -0.024 0.000 0.928 26 T HN 0.330 nan 8.240 nan 0.000 0.474 27 R N 2.585 123.008 120.500 -0.129 0.000 2.441 27 R HA 0.510 4.850 4.340 -0.000 0.000 0.284 27 R C -0.122 176.025 176.300 -0.255 0.000 1.070 27 R CA -0.400 55.495 56.100 -0.341 0.000 1.047 27 R CB 0.507 30.343 30.300 -0.773 0.000 1.016 27 R HN 0.441 nan 8.270 nan 0.000 0.477 28 T N 0.740 115.183 114.554 -0.185 0.000 2.893 28 T HA 0.455 4.805 4.350 -0.000 0.000 0.293 28 T C -0.741 174.017 174.700 0.096 0.000 1.027 28 T CA -0.458 61.654 62.100 0.020 0.000 0.988 28 T CB 1.884 70.752 68.868 -0.000 0.000 1.043 28 T HN 0.486 nan 8.240 nan 0.000 0.461 29 S N 1.726 117.535 115.700 0.182 0.000 2.541 29 S HA 0.569 5.038 4.470 -0.000 0.000 0.271 29 S C -1.142 173.501 174.600 0.073 0.000 1.133 29 S CA -0.913 57.377 58.200 0.149 0.000 0.876 29 S CB 2.162 65.500 63.200 0.230 0.000 1.105 29 S HN 0.546 nan 8.310 nan 0.000 0.470 30 K N 1.171 121.600 120.400 0.047 0.000 2.259 30 K HA 0.625 4.945 4.320 -0.000 0.000 0.249 30 K C -1.394 175.221 176.600 0.026 0.000 0.942 30 K CA -0.762 55.542 56.287 0.027 0.000 0.816 30 K CB 1.215 33.727 32.500 0.021 0.000 1.155 30 K HN 0.311 nan 8.250 nan 0.000 0.428 31 L N 4.146 125.383 121.223 0.023 0.000 2.375 31 L HA 0.349 4.689 4.340 -0.000 0.000 0.268 31 L C -1.431 175.455 176.870 0.027 0.000 1.058 31 L CA -1.911 52.946 54.840 0.029 0.000 0.803 31 L CB 0.930 43.014 42.059 0.042 0.000 1.212 31 L HN 0.573 nan 8.230 nan 0.000 0.451 32 P HA -0.164 nan 4.420 nan 0.000 0.218 32 P C 0.294 177.608 177.300 0.024 0.000 1.146 32 P CA 1.277 64.390 63.100 0.023 0.000 0.813 32 P CB -0.008 31.704 31.700 0.021 0.000 0.778 33 N N -1.214 117.504 118.700 0.031 0.000 2.398 33 N HA 0.066 4.806 4.740 -0.000 0.000 0.188 33 N C 1.407 176.932 175.510 0.025 0.000 1.122 33 N CA 0.798 53.866 53.050 0.029 0.000 0.866 33 N CB -0.438 38.072 38.487 0.038 0.000 0.970 33 N HN 0.267 nan 8.380 nan 0.000 0.462 34 G N 0.009 108.822 108.800 0.022 0.000 2.284 34 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.216 34 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.216 34 G C -0.194 174.711 174.900 0.009 0.000 1.009 34 G CA 0.003 45.112 45.100 0.015 0.000 0.625 34 G HN 0.405 nan 8.290 nan 0.000 0.501 35 L N 3.359 124.588 121.223 0.011 0.000 2.601 35 L HA 0.471 4.811 4.340 -0.000 0.000 0.277 35 L C 0.540 177.399 176.870 -0.020 0.000 1.219 35 L CA 1.151 55.983 54.840 -0.014 0.000 0.915 35 L CB 0.328 42.377 42.059 -0.015 0.000 1.160 35 L HN 0.259 nan 8.230 nan 0.000 0.494 36 T N 6.576 121.110 114.554 -0.034 0.000 2.829 36 T HA 0.520 4.870 4.350 -0.000 0.000 0.282 36 T C -0.104 174.576 174.700 -0.032 0.000 0.990 36 T CA -0.406 61.681 62.100 -0.021 0.000 1.028 36 T CB 1.052 69.906 68.868 -0.022 0.000 0.951 36 T HN 0.316 nan 8.240 nan 0.000 0.460 37 I N 2.933 123.502 120.570 -0.000 0.000 2.371 37 I HA 0.495 4.665 4.170 -0.000 0.000 0.282 37 I C 0.191 176.367 176.117 0.099 0.000 1.031 37 I CA -1.125 60.174 61.300 -0.000 0.000 1.180 37 I CB 0.177 38.142 38.000 -0.059 0.000 1.336 37 I HN 0.686 nan 8.210 nan 0.000 0.467 38 A N 4.728 127.584 122.820 0.059 0.000 2.273 38 A HA 0.762 5.082 4.320 -0.000 0.000 0.315 38 A C 0.012 177.655 177.584 0.098 0.000 1.256 38 A CA -0.370 51.715 52.037 0.080 0.000 0.851 38 A CB 0.996 19.986 19.000 -0.018 0.000 1.172 38 A HN 0.589 nan 8.150 nan 0.000 0.508 39 T N 1.295 115.960 114.554 0.185 0.000 2.908 39 T HA 0.570 4.920 4.350 -0.000 0.000 0.290 39 T C -1.081 173.691 174.700 0.119 0.000 1.034 39 T CA -0.403 61.810 62.100 0.188 0.000 1.010 39 T CB 1.333 70.427 68.868 0.376 0.000 1.068 39 T HN 0.690 nan 8.240 nan 0.000 0.481 40 E N 2.219 122.483 120.200 0.107 0.000 2.302 40 E HA 0.209 4.559 4.350 -0.000 0.000 0.263 40 E C -1.680 174.994 176.600 0.123 0.000 0.897 40 E CA -0.568 55.886 56.400 0.090 0.000 0.809 40 E CB 1.203 30.926 29.700 0.038 0.000 1.270 40 E HN 0.650 nan 8.360 nan 0.000 0.410 41 Y N 5.167 125.486 120.300 0.032 0.000 2.397 41 Y HA 0.249 4.799 4.550 -0.000 0.000 0.335 41 Y C -0.592 175.321 175.900 0.023 0.000 1.213 41 Y CA -0.063 58.057 58.100 0.034 0.000 1.391 41 Y CB 0.545 39.026 38.460 0.034 0.000 1.293 41 Y HN 0.369 nan 8.280 nan 0.000 0.557 42 I N 8.106 128.218 120.570 -0.763 0.000 2.410 42 I HA 0.294 4.464 4.170 -0.000 0.000 0.286 42 I C -2.507 173.070 176.117 -0.900 0.000 1.009 42 I CA -2.649 58.307 61.300 -0.572 0.000 1.111 42 I CB 1.266 39.090 38.000 -0.293 0.000 1.262 42 I HN 0.534 nan 8.210 nan 0.000 0.443 43 P HA 0.162 nan 4.420 nan 0.000 0.269 43 P C -0.310 176.900 177.300 -0.150 0.000 1.209 43 P CA 0.029 62.983 63.100 -0.243 0.000 0.776 43 P CB 0.259 31.979 31.700 0.033 0.000 0.876 44 N N -0.918 117.753 118.700 -0.049 0.000 2.681 44 N HA -0.108 4.631 4.740 -0.000 0.000 0.259 44 N C -0.741 174.737 175.510 -0.053 0.000 1.066 44 N CA 0.535 53.569 53.050 -0.025 0.000 0.717 44 N CB -1.239 37.239 38.487 -0.015 0.000 0.885 44 N HN 0.634 nan 8.380 nan 0.000 0.547 45 T N -3.985 110.533 114.554 -0.061 0.000 2.868 45 T HA 0.635 4.985 4.350 -0.000 0.000 0.306 45 T C 0.179 174.871 174.700 -0.013 0.000 1.224 45 T CA -0.711 61.356 62.100 -0.054 0.000 1.012 45 T CB 2.238 71.042 68.868 -0.106 0.000 1.221 45 T HN -0.069 nan 8.240 nan 0.000 0.499 46 S N 0.389 116.089 115.700 0.000 0.000 3.009 46 S HA 0.461 4.931 4.470 -0.000 0.000 0.254 46 S C 0.101 174.713 174.600 0.020 0.000 1.004 46 S CA -0.281 57.930 58.200 0.019 0.000 1.119 46 S CB 0.072 63.284 63.200 0.020 0.000 1.075 46 S HN 1.103 nan 8.310 nan 0.000 0.618 47 S N 0.639 116.348 115.700 0.015 0.000 2.685 47 S HA 1.002 5.471 4.470 -0.000 0.000 0.282 47 S C -0.683 173.931 174.600 0.024 0.000 1.159 47 S CA -0.585 57.629 58.200 0.024 0.000 0.833 47 S CB 1.895 65.115 63.200 0.032 0.000 1.151 47 S HN 0.571 nan 8.310 nan 0.000 0.485 48 A N 0.021 122.864 122.820 0.039 0.000 2.511 48 A HA 0.853 5.173 4.320 -0.000 0.000 0.293 48 A C -1.161 176.466 177.584 0.071 0.000 1.098 48 A CA -0.784 51.280 52.037 0.044 0.000 0.643 48 A CB 1.022 20.049 19.000 0.045 0.000 1.302 48 A HN 0.940 nan 8.150 nan 0.000 0.446 49 T N 0.437 115.040 114.554 0.081 0.000 2.881 49 T HA 0.619 4.969 4.350 -0.000 0.000 0.290 49 T C -1.233 173.543 174.700 0.126 0.000 1.000 49 T CA -0.330 61.844 62.100 0.123 0.000 0.978 49 T CB 1.418 70.357 68.868 0.119 0.000 0.997 49 T HN 0.915 nan 8.240 nan 0.000 0.443 50 V N 1.966 121.974 119.914 0.155 0.000 2.656 50 V HA 0.933 5.053 4.120 -0.000 0.000 0.307 50 V C 0.283 176.502 176.094 0.210 0.000 1.051 50 V CA -0.619 61.770 62.300 0.148 0.000 0.893 50 V CB 2.038 33.918 31.823 0.096 0.000 0.999 50 V HN 1.082 nan 8.190 nan 0.000 0.426 51 G N 2.867 111.809 108.800 0.237 0.000 2.667 51 G HA2 0.671 4.631 3.960 -0.000 0.000 0.298 51 G HA3 0.671 4.631 3.960 -0.000 0.000 0.298 51 G C -1.949 173.086 174.900 0.224 0.000 1.377 51 G CA -0.646 44.604 45.100 0.250 0.000 0.964 51 G HN 0.564 nan 8.290 nan 0.000 0.493 52 I N 1.163 121.772 120.570 0.066 0.000 2.330 52 I HA 0.663 4.833 4.170 -0.000 0.000 0.289 52 I C -1.419 174.668 176.117 -0.050 0.000 1.001 52 I CA -1.606 59.710 61.300 0.026 0.000 1.193 52 I CB 0.339 38.332 38.000 -0.012 0.000 1.345 52 I HN 0.211 nan 8.210 nan 0.000 0.461 53 F N 6.617 126.533 119.950 -0.057 0.000 2.427 53 F HA 0.581 5.108 4.527 -0.000 0.000 0.346 53 F C -0.037 175.732 175.800 -0.052 0.000 1.120 53 F CA -0.716 57.256 58.000 -0.046 0.000 1.033 53 F CB 1.536 40.507 39.000 -0.048 0.000 1.126 53 F HN 0.048 nan 8.300 nan 0.000 0.462 54 V N 1.992 121.957 119.914 0.086 0.000 2.555 54 V HA 0.191 4.311 4.120 -0.000 0.000 0.302 54 V C -0.417 175.743 176.094 0.111 0.000 1.038 54 V CA -0.958 61.374 62.300 0.053 0.000 0.887 54 V CB 1.927 33.721 31.823 -0.048 0.000 0.991 54 V HN 0.638 nan 8.190 nan 0.000 0.434 55 D N 3.525 123.986 120.400 0.102 0.000 2.671 55 D HA 0.471 5.111 4.640 -0.000 0.000 0.228 55 D C 0.421 176.795 176.300 0.123 0.000 1.102 55 D CA 0.655 54.722 54.000 0.111 0.000 1.044 55 D CB 0.461 41.309 40.800 0.080 0.000 1.113 55 D HN 0.642 nan 8.370 nan 0.000 0.480 56 A N 1.587 124.512 122.820 0.176 0.000 2.185 56 A HA 0.830 5.149 4.320 -0.000 0.000 0.208 56 A C 1.303 179.043 177.584 0.261 0.000 2.237 56 A CA 0.373 52.546 52.037 0.226 0.000 1.587 56 A CB -0.429 18.819 19.000 0.414 0.000 1.091 56 A HN 0.919 nan 8.150 nan 0.000 0.449 57 G N -0.976 108.033 108.800 0.348 0.000 2.750 57 G HA2 -0.080 3.880 3.960 -0.000 0.000 0.228 57 G HA3 -0.080 3.880 3.960 -0.000 0.000 0.228 57 G C 0.835 175.901 174.900 0.277 0.000 1.367 57 G CA 0.905 46.167 45.100 0.270 0.000 0.871 57 G HN 1.873 nan 8.290 nan 0.000 0.560 58 S N -0.513 115.291 115.700 0.172 0.000 2.496 58 S HA -0.036 4.434 4.470 -0.000 0.000 0.224 58 S C 2.007 176.671 174.600 0.108 0.000 0.996 58 S CA 1.239 59.523 58.200 0.140 0.000 0.927 58 S CB -0.094 63.151 63.200 0.076 0.000 0.774 58 S HN 1.232 nan 8.310 nan 0.000 0.524 59 R N 1.149 121.694 120.500 0.075 0.000 2.316 59 R HA 0.318 4.658 4.340 -0.000 0.000 0.202 59 R C 1.368 177.692 176.300 0.040 0.000 1.029 59 R CA 0.843 56.952 56.100 0.016 0.000 1.018 59 R CB -0.387 29.884 30.300 -0.048 0.000 0.888 59 R HN 0.386 nan 8.270 nan 0.000 0.471 60 A N 0.754 123.634 122.820 0.098 0.000 2.500 60 A HA 0.206 4.526 4.320 -0.000 0.000 0.267 60 A C -0.362 177.281 177.584 0.098 0.000 1.290 60 A CA -0.551 51.522 52.037 0.060 0.000 0.928 60 A CB 0.068 19.073 19.000 0.008 0.000 1.066 60 A HN 0.431 nan 8.150 nan 0.000 0.516 61 E N -0.036 120.250 120.200 0.143 0.000 2.405 61 E HA 0.456 4.806 4.350 -0.000 0.000 0.249 61 E C -0.602 176.044 176.600 0.077 0.000 1.028 61 E CA -0.853 55.640 56.400 0.154 0.000 0.897 61 E CB 0.724 30.526 29.700 0.170 0.000 1.262 61 E HN 0.570 nan 8.360 nan 0.000 0.442 62 N N -2.059 116.680 118.700 0.066 0.000 3.201 62 N HA 0.209 4.949 4.740 -0.000 0.000 0.344 62 N C 0.337 175.869 175.510 0.037 0.000 1.465 62 N CA -0.699 52.375 53.050 0.040 0.000 0.731 62 N CB 0.165 38.670 38.487 0.031 0.000 1.677 62 N HN 0.151 nan 8.380 nan 0.000 0.631 63 V N -0.234 119.697 119.914 0.028 0.000 2.295 63 V HA -0.135 3.985 4.120 -0.000 0.000 0.246 63 V C 1.762 177.870 176.094 0.024 0.000 1.049 63 V CA 1.555 63.870 62.300 0.025 0.000 1.024 63 V CB -0.677 31.158 31.823 0.020 0.000 0.648 63 V HN 0.592 nan 8.190 nan 0.000 0.447 64 K N -0.157 120.256 120.400 0.021 0.000 2.365 64 K HA 0.016 4.336 4.320 -0.000 0.000 0.197 64 K C 1.811 178.423 176.600 0.020 0.000 1.042 64 K CA 0.599 56.896 56.287 0.017 0.000 0.987 64 K CB -0.558 31.949 32.500 0.011 0.000 0.779 64 K HN 0.569 nan 8.250 nan 0.000 0.484 65 N N 1.408 120.126 118.700 0.031 0.000 2.207 65 N HA -0.103 4.637 4.740 -0.000 0.000 0.182 65 N C 0.372 175.911 175.510 0.048 0.000 1.020 65 N CA -0.046 53.031 53.050 0.044 0.000 0.858 65 N CB 0.073 38.604 38.487 0.073 0.000 0.991 65 N HN 0.202 nan 8.380 nan 0.000 0.427 66 N N -0.260 118.471 118.700 0.052 0.000 1.923 66 N HA -0.204 4.536 4.740 -0.000 0.000 0.305 66 N C 0.449 175.990 175.510 0.051 0.000 1.339 66 N CA 0.792 53.873 53.050 0.051 0.000 0.825 66 N CB -0.051 38.459 38.487 0.038 0.000 1.095 66 N HN 0.554 nan 8.380 nan 0.000 0.498 67 G N 1.784 110.619 108.800 0.058 0.000 2.255 67 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.196 67 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.196 67 G C 0.933 175.885 174.900 0.086 0.000 0.998 67 G CA 0.269 45.421 45.100 0.086 0.000 0.656 67 G HN 0.574 nan 8.290 nan 0.000 0.490 68 T N 1.721 116.275 114.554 0.000 0.000 2.569 68 T HA 0.098 4.448 4.350 -0.000 0.000 0.263 68 T C 2.798 177.353 174.700 -0.241 0.000 1.074 68 T CA 2.937 64.969 62.100 -0.113 0.000 1.176 68 T CB -0.731 68.037 68.868 -0.166 0.000 0.863 68 T HN 1.277 nan 8.240 nan 0.000 0.410 69 A N 1.334 123.845 122.820 -0.515 0.000 1.940 69 A HA -0.310 4.010 4.320 -0.000 0.000 0.221 69 A C 2.123 179.668 177.584 -0.065 0.000 1.190 69 A CA 2.510 54.233 52.037 -0.524 0.000 0.647 69 A CB -1.200 17.647 19.000 -0.255 0.000 0.821 69 A HN 0.819 nan 8.150 nan 0.000 0.457 70 H N -2.756 116.268 119.070 -0.077 0.000 2.307 70 H HA -0.130 4.426 4.556 -0.000 0.000 0.303 70 H C 2.038 177.334 175.328 -0.052 0.000 1.073 70 H CA 1.609 57.625 56.048 -0.052 0.000 1.338 70 H CB -0.269 29.436 29.762 -0.094 0.000 1.389 70 H HN 0.427 nan 8.280 nan 0.000 0.503 71 F N 1.617 121.338 119.950 -0.382 0.000 2.043 71 F HA -0.269 4.258 4.527 -0.000 0.000 0.297 71 F C 2.794 178.484 175.800 -0.184 0.000 1.121 71 F CA 1.538 59.303 58.000 -0.390 0.000 1.199 71 F CB -0.958 37.911 39.000 -0.220 0.000 0.968 71 F HN 0.157 nan 8.300 nan 0.000 0.478 72 L N 0.074 121.405 121.223 0.180 0.000 2.010 72 L HA -0.365 3.975 4.340 -0.000 0.000 0.219 72 L C 2.675 179.704 176.870 0.265 0.000 1.077 72 L CA 2.168 57.106 54.840 0.163 0.000 0.773 72 L CB -0.698 41.386 42.059 0.043 0.000 0.892 72 L HN 0.344 nan 8.230 nan 0.000 0.436 73 Q N -0.917 119.039 119.800 0.259 0.000 2.152 73 Q HA -0.283 4.056 4.340 -0.000 0.000 0.206 73 Q C 2.014 178.249 176.000 0.392 0.000 0.985 73 Q CA 2.036 58.059 55.803 0.366 0.000 0.863 73 Q CB -0.229 28.619 28.738 0.184 0.000 0.904 73 Q HN 0.697 nan 8.270 nan 0.000 0.422 74 H N -0.875 118.209 119.070 0.024 0.000 2.357 74 H HA -0.104 4.452 4.556 -0.000 0.000 0.301 74 H C 2.041 177.447 175.328 0.131 0.000 1.082 74 H CA 0.889 56.912 56.048 -0.041 0.000 1.342 74 H CB 0.426 30.025 29.762 -0.273 0.000 1.389 74 H HN 0.191 nan 8.280 nan 0.000 0.511 75 L N 0.680 122.087 121.223 0.305 0.000 2.141 75 L HA -0.059 4.281 4.340 -0.000 0.000 0.209 75 L C 2.688 179.707 176.870 0.249 0.000 1.094 75 L CA 1.272 56.268 54.840 0.260 0.000 0.763 75 L CB -0.976 41.233 42.059 0.250 0.000 0.908 75 L HN 0.193 nan 8.230 nan 0.000 0.437 76 A N -1.556 121.446 122.820 0.303 0.000 2.139 76 A HA -0.203 4.117 4.320 -0.000 0.000 0.221 76 A C 1.785 179.412 177.584 0.072 0.000 1.159 76 A CA 1.376 53.521 52.037 0.180 0.000 0.662 76 A CB -0.868 18.259 19.000 0.210 0.000 0.796 76 A HN 0.376 nan 8.150 nan 0.000 0.463 77 F N -0.802 119.197 119.950 0.082 0.000 2.693 77 F HA 0.179 4.706 4.527 -0.000 0.000 0.303 77 F C 1.496 177.304 175.800 0.014 0.000 1.097 77 F CA 0.374 58.394 58.000 0.034 0.000 1.330 77 F CB 0.582 39.585 39.000 0.004 0.000 1.067 77 F HN -0.008 nan 8.300 nan 0.000 0.565 78 K N 0.235 120.734 120.400 0.165 0.000 2.374 78 K HA 0.440 4.760 4.320 -0.000 0.000 0.196 78 K C 0.713 177.345 176.600 0.053 0.000 1.023 78 K CA 0.482 56.831 56.287 0.103 0.000 1.103 78 K CB 0.251 32.813 32.500 0.104 0.000 0.848 78 K HN 0.214 nan 8.250 nan 0.000 0.528 79 G N 0.920 109.735 108.800 0.025 0.000 2.379 79 G HA2 -0.002 3.958 3.960 -0.000 0.000 0.609 79 G HA3 -0.002 3.958 3.960 -0.000 0.000 0.609 79 G C -0.674 174.217 174.900 -0.015 0.000 1.484 79 G CA -0.515 44.585 45.100 -0.001 0.000 0.921 79 G HN 0.067 nan 8.290 nan 0.000 0.658 80 T N -1.695 112.841 114.554 -0.030 0.000 2.864 80 T HA 0.607 4.957 4.350 -0.000 0.000 0.289 80 T C 0.980 175.663 174.700 -0.028 0.000 1.082 80 T CA -0.321 61.758 62.100 -0.035 0.000 1.009 80 T CB 1.957 70.788 68.868 -0.062 0.000 1.234 80 T HN 0.569 nan 8.240 nan 0.000 0.526 81 Q N 0.185 119.969 119.800 -0.026 0.000 2.576 81 Q HA -0.010 4.330 4.340 -0.000 0.000 0.218 81 Q C 1.099 177.083 176.000 -0.028 0.000 0.983 81 Q CA 1.044 56.833 55.803 -0.023 0.000 0.920 81 Q CB -0.121 28.605 28.738 -0.020 0.000 0.973 81 Q HN 0.512 nan 8.270 nan 0.000 0.528 82 N N -0.839 117.840 118.700 -0.035 0.000 2.272 82 N HA 0.117 4.857 4.740 -0.000 0.000 0.228 82 N C -0.324 175.165 175.510 -0.035 0.000 1.206 82 N CA 0.177 53.206 53.050 -0.035 0.000 0.855 82 N CB 1.000 39.462 38.487 -0.042 0.000 1.248 82 N HN 0.006 nan 8.380 nan 0.000 0.476 83 R N 1.616 122.092 120.500 -0.041 0.000 2.532 83 R HA 0.428 4.768 4.340 -0.000 0.000 0.297 83 R C -2.694 173.587 176.300 -0.033 0.000 0.984 83 R CA -1.449 54.627 56.100 -0.040 0.000 0.884 83 R CB 2.596 32.863 30.300 -0.056 0.000 1.182 83 R HN -0.013 nan 8.270 nan 0.000 0.442 84 P HA -0.013 nan 4.420 nan 0.000 0.276 84 P C -0.028 177.267 177.300 -0.009 0.000 1.244 84 P CA -0.291 62.802 63.100 -0.012 0.000 0.801 84 P CB 1.149 32.845 31.700 -0.008 0.000 1.006 85 Q N 1.259 121.062 119.800 0.004 0.000 1.978 85 Q HA -0.287 4.053 4.340 -0.000 0.000 0.211 85 Q C 1.873 177.881 176.000 0.014 0.000 1.013 85 Q CA 2.014 57.828 55.803 0.018 0.000 0.869 85 Q CB -0.446 28.314 28.738 0.036 0.000 0.953 85 Q HN 0.459 nan 8.270 nan 0.000 0.415 86 Q N -0.564 119.243 119.800 0.012 0.000 2.508 86 Q HA -0.113 4.227 4.340 -0.000 0.000 0.214 86 Q C 1.572 177.571 176.000 -0.003 0.000 0.979 86 Q CA 1.150 56.958 55.803 0.007 0.000 0.911 86 Q CB -0.119 28.622 28.738 0.005 0.000 0.969 86 Q HN 0.570 nan 8.270 nan 0.000 0.504 87 G N 0.505 109.299 108.800 -0.010 0.000 2.426 87 G HA2 -0.113 3.847 3.960 -0.000 0.000 0.214 87 G HA3 -0.113 3.847 3.960 -0.000 0.000 0.214 87 G C 1.432 176.315 174.900 -0.029 0.000 1.156 87 G CA 0.230 45.319 45.100 -0.019 0.000 0.802 87 G HN 0.328 nan 8.290 nan 0.000 0.534 88 I N 0.832 121.382 120.570 -0.033 0.000 2.142 88 I HA -0.136 4.034 4.170 -0.000 0.000 0.240 88 I C 2.707 178.805 176.117 -0.031 0.000 1.078 88 I CA 1.229 62.499 61.300 -0.050 0.000 1.343 88 I CB -0.393 37.564 38.000 -0.072 0.000 1.046 88 I HN 0.229 nan 8.210 nan 0.000 0.405 89 E N 0.989 121.187 120.200 -0.004 0.000 2.035 89 E HA -0.271 4.079 4.350 -0.000 0.000 0.204 89 E C 2.270 178.863 176.600 -0.012 0.000 1.025 89 E CA 1.327 57.732 56.400 0.008 0.000 0.835 89 E CB -0.389 29.323 29.700 0.021 0.000 0.764 89 E HN 0.331 nan 8.360 nan 0.000 0.457 90 L N 1.381 122.596 121.223 -0.014 0.000 2.127 90 L HA -0.205 4.135 4.340 -0.000 0.000 0.211 90 L C 2.239 179.091 176.870 -0.031 0.000 1.089 90 L CA 1.739 56.567 54.840 -0.020 0.000 0.757 90 L CB -0.608 41.442 42.059 -0.016 0.000 0.899 90 L HN 0.251 nan 8.230 nan 0.000 0.434 91 E N -0.479 119.699 120.200 -0.037 0.000 2.047 91 E HA -0.212 4.138 4.350 -0.000 0.000 0.191 91 E C 2.267 178.832 176.600 -0.058 0.000 0.987 91 E CA 0.875 57.247 56.400 -0.047 0.000 0.799 91 E CB 0.174 29.842 29.700 -0.054 0.000 0.752 91 E HN 0.333 nan 8.360 nan 0.000 0.449 92 I N 1.549 122.081 120.570 -0.063 0.000 2.127 92 I HA -0.256 3.914 4.170 -0.000 0.000 0.241 92 I C 2.194 178.252 176.117 -0.098 0.000 1.075 92 I CA 1.530 62.782 61.300 -0.081 0.000 1.334 92 I CB -1.049 36.909 38.000 -0.069 0.000 1.040 92 I HN 0.233 nan 8.210 nan 0.000 0.405 93 E N 0.508 120.661 120.200 -0.077 0.000 2.265 93 E HA -0.192 4.158 4.350 -0.000 0.000 0.196 93 E C 1.665 178.225 176.600 -0.066 0.000 0.996 93 E CA 0.587 56.939 56.400 -0.079 0.000 0.832 93 E CB -0.025 29.648 29.700 -0.045 0.000 0.756 93 E HN 0.495 nan 8.360 nan 0.000 0.491 94 N N 0.650 119.317 118.700 -0.055 0.000 2.354 94 N HA -0.063 4.677 4.740 -0.000 0.000 0.179 94 N C 1.860 177.341 175.510 -0.048 0.000 1.021 94 N CA 0.733 53.757 53.050 -0.043 0.000 0.887 94 N CB 0.093 38.559 38.487 -0.035 0.000 0.974 94 N HN 0.355 nan 8.380 nan 0.000 0.437 95 I N -3.315 117.218 120.570 -0.062 0.000 3.883 95 I HA 0.362 4.532 4.170 -0.000 0.000 0.326 95 I C 0.667 176.739 176.117 -0.076 0.000 1.283 95 I CA -0.053 61.211 61.300 -0.060 0.000 1.161 95 I CB -0.291 37.673 38.000 -0.061 0.000 1.012 95 I HN -0.106 nan 8.210 nan 0.000 0.421 96 G N 1.970 110.705 108.800 -0.108 0.000 2.353 96 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.294 96 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.294 96 G C -0.101 174.652 174.900 -0.245 0.000 1.077 96 G CA 0.378 45.383 45.100 -0.158 0.000 1.098 96 G HN 0.468 nan 8.290 nan 0.000 0.511 97 S N -0.214 115.297 115.700 -0.314 0.000 2.798 97 S HA 0.910 5.379 4.470 -0.000 0.000 0.312 97 S C -0.370 173.899 174.600 -0.551 0.000 1.122 97 S CA -0.867 57.159 58.200 -0.291 0.000 0.949 97 S CB 1.464 64.588 63.200 -0.126 0.000 1.235 97 S HN 0.484 nan 8.310 nan 0.000 0.552 98 H N 0.016 119.091 119.070 0.009 0.000 2.865 98 H HA 0.511 5.067 4.556 -0.000 0.000 0.362 98 H C -1.591 173.720 175.328 -0.029 0.000 1.114 98 H CA -0.566 55.485 56.048 0.005 0.000 1.208 98 H CB 1.582 31.359 29.762 0.025 0.000 1.727 98 H HN 0.196 nan 8.280 nan 0.000 0.534 99 L N 2.975 124.252 121.223 0.089 0.000 2.333 99 L HA 0.401 4.741 4.340 -0.000 0.000 0.280 99 L C -0.257 176.616 176.870 0.005 0.000 1.004 99 L CA -0.224 54.632 54.840 0.027 0.000 0.820 99 L CB 1.080 43.201 42.059 0.103 0.000 1.247 99 L HN 0.588 nan 8.230 nan 0.000 0.416 100 N N 2.063 120.584 118.700 -0.299 0.000 2.610 100 N HA 0.897 5.637 4.740 -0.000 0.000 0.264 100 N C -1.777 173.514 175.510 -0.366 0.000 1.348 100 N CA -0.445 52.398 53.050 -0.345 0.000 0.819 100 N CB 2.685 40.893 38.487 -0.465 0.000 1.521 100 N HN 0.622 nan 8.380 nan 0.000 0.497 101 A N 0.579 123.308 122.820 -0.151 0.000 2.605 101 A HA 0.654 4.974 4.320 -0.000 0.000 0.294 101 A C -2.118 175.442 177.584 -0.039 0.000 1.062 101 A CA -0.583 51.326 52.037 -0.213 0.000 0.682 101 A CB 1.054 19.754 19.000 -0.501 0.000 1.278 101 A HN 0.655 nan 8.150 nan 0.000 0.410 102 Y N -1.815 118.405 120.300 -0.134 0.000 2.655 102 Y HA 0.892 5.442 4.550 -0.000 0.000 0.336 102 Y C -0.596 175.276 175.900 -0.047 0.000 1.154 102 Y CA -1.014 57.055 58.100 -0.052 0.000 1.055 102 Y CB 1.215 39.676 38.460 0.002 0.000 1.295 102 Y HN 0.541 nan 8.280 nan 0.000 0.465 103 T N 2.256 116.966 114.554 0.260 0.000 2.879 103 T HA 0.589 4.939 4.350 -0.000 0.000 0.290 103 T C -0.759 174.080 174.700 0.231 0.000 0.993 103 T CA -0.693 61.516 62.100 0.181 0.000 0.975 103 T CB 1.116 70.069 68.868 0.142 0.000 0.981 103 T HN 0.939 nan 8.240 nan 0.000 0.439 104 S N 2.814 118.671 115.700 0.262 0.000 2.766 104 S HA 0.533 5.002 4.470 -0.000 0.000 0.307 104 S C 1.134 175.842 174.600 0.181 0.000 1.121 104 S CA -1.088 57.248 58.200 0.228 0.000 0.980 104 S CB 1.604 64.994 63.200 0.316 0.000 1.159 104 S HN 0.625 nan 8.310 nan 0.000 0.546 105 R N 0.414 121.014 120.500 0.167 0.000 2.096 105 R HA -0.033 4.307 4.340 -0.000 0.000 0.235 105 R C 1.843 178.221 176.300 0.130 0.000 1.127 105 R CA 1.750 57.915 56.100 0.109 0.000 0.968 105 R CB -0.265 30.063 30.300 0.047 0.000 0.861 105 R HN 0.744 nan 8.270 nan 0.000 0.440 106 E N -0.276 120.056 120.200 0.221 0.000 2.276 106 E HA 0.008 4.358 4.350 -0.000 0.000 0.193 106 E C -0.322 176.408 176.600 0.215 0.000 0.983 106 E CA 0.405 56.941 56.400 0.227 0.000 0.861 106 E CB 0.331 30.240 29.700 0.348 0.000 0.817 106 E HN 0.366 nan 8.360 nan 0.000 0.485 107 N N -1.218 117.618 118.700 0.227 0.000 2.732 107 N HA 0.286 5.026 4.740 -0.000 0.000 0.259 107 N C -1.413 174.177 175.510 0.134 0.000 1.402 107 N CA -0.666 52.498 53.050 0.189 0.000 0.829 107 N CB 1.913 40.515 38.487 0.192 0.000 1.495 107 N HN -0.273 nan 8.380 nan 0.000 0.511 108 T N 0.324 114.927 114.554 0.081 0.000 2.824 108 T HA 0.676 5.026 4.350 -0.000 0.000 0.282 108 T C -1.069 173.514 174.700 -0.195 0.000 0.993 108 T CA -0.542 61.558 62.100 -0.001 0.000 0.967 108 T CB 1.206 70.203 68.868 0.215 0.000 0.960 108 T HN 0.242 nan 8.240 nan 0.000 0.441 109 V N 3.641 123.229 119.914 -0.542 0.000 2.577 109 V HA 0.527 4.647 4.120 -0.000 0.000 0.303 109 V C -1.571 174.177 176.094 -0.578 0.000 1.042 109 V CA -0.980 60.888 62.300 -0.720 0.000 0.872 109 V CB 1.430 32.447 31.823 -1.344 0.000 0.998 109 V HN 0.838 nan 8.190 nan 0.000 0.423 110 Y N 4.911 125.049 120.300 -0.270 0.000 2.391 110 Y HA 0.801 5.351 4.550 -0.000 0.000 0.341 110 Y C -0.300 175.572 175.900 -0.047 0.000 0.965 110 Y CA -0.898 57.133 58.100 -0.116 0.000 1.067 110 Y CB 2.026 40.436 38.460 -0.083 0.000 1.199 110 Y HN 0.760 nan 8.280 nan 0.000 0.450 111 Y N -0.065 120.258 120.300 0.038 0.000 2.638 111 Y HA 0.969 5.519 4.550 -0.000 0.000 0.335 111 Y C -1.568 174.381 175.900 0.081 0.000 1.155 111 Y CA -1.927 56.194 58.100 0.035 0.000 1.046 111 Y CB 1.075 39.537 38.460 0.003 0.000 1.303 111 Y HN 0.698 nan 8.280 nan 0.000 0.460 112 A N 1.685 124.629 122.820 0.207 0.000 2.539 112 A HA 0.820 5.140 4.320 -0.000 0.000 0.296 112 A C -1.697 176.015 177.584 0.213 0.000 1.073 112 A CA -1.277 50.834 52.037 0.123 0.000 0.700 112 A CB 1.913 20.938 19.000 0.041 0.000 1.296 112 A HN 0.688 nan 8.150 nan 0.000 0.405 113 K N 0.835 121.353 120.400 0.197 0.000 2.270 113 K HA 0.772 5.091 4.320 -0.000 0.000 0.255 113 K C -0.788 175.885 176.600 0.121 0.000 0.936 113 K CA -0.348 56.054 56.287 0.192 0.000 0.809 113 K CB 2.048 34.703 32.500 0.258 0.000 1.131 113 K HN 0.995 nan 8.250 nan 0.000 0.427 114 S N 1.062 116.809 115.700 0.078 0.000 2.615 114 S HA 0.395 4.865 4.470 -0.000 0.000 0.268 114 S C -1.060 173.554 174.600 0.023 0.000 1.146 114 S CA -1.114 57.102 58.200 0.027 0.000 0.818 114 S CB 0.298 63.491 63.200 -0.012 0.000 1.111 114 S HN 0.286 nan 8.310 nan 0.000 0.465 115 L N 2.487 123.713 121.223 0.006 0.000 2.467 115 L HA 0.269 4.609 4.340 -0.000 0.000 0.270 115 L C 2.430 179.303 176.870 0.005 0.000 1.205 115 L CA -0.076 54.770 54.840 0.009 0.000 0.828 115 L CB 0.066 42.127 42.059 0.002 0.000 1.101 115 L HN 0.970 nan 8.230 nan 0.000 0.479 116 Q N 0.615 120.424 119.800 0.015 0.000 2.112 116 Q HA -0.276 4.064 4.340 -0.000 0.000 0.206 116 Q C 1.209 177.210 176.000 0.002 0.000 0.987 116 Q CA 2.052 57.866 55.803 0.019 0.000 0.858 116 Q CB -0.365 28.398 28.738 0.041 0.000 0.905 116 Q HN 0.747 nan 8.270 nan 0.000 0.420 117 E N 1.729 121.930 120.200 0.001 0.000 2.130 117 E HA -0.179 4.171 4.350 -0.000 0.000 0.196 117 E C 1.050 177.627 176.600 -0.037 0.000 0.998 117 E CA 1.593 57.988 56.400 -0.007 0.000 0.806 117 E CB -0.098 29.600 29.700 -0.003 0.000 0.738 117 E HN 0.521 nan 8.360 nan 0.000 0.459 118 D N 0.001 120.373 120.400 -0.046 0.000 2.325 118 D HA 0.016 4.656 4.640 -0.000 0.000 0.225 118 D C 1.304 177.538 176.300 -0.111 0.000 1.096 118 D CA 0.015 53.969 54.000 -0.077 0.000 0.844 118 D CB 0.166 40.927 40.800 -0.065 0.000 0.925 118 D HN 0.118 nan 8.370 nan 0.000 0.513 119 I N 2.247 122.751 120.570 -0.110 0.000 2.118 119 I HA -0.199 3.971 4.170 -0.000 0.000 0.241 119 I C -0.273 175.687 176.117 -0.262 0.000 1.070 119 I CA 1.499 62.718 61.300 -0.134 0.000 1.327 119 I CB -2.418 35.526 38.000 -0.094 0.000 1.034 119 I HN 0.076 nan 8.210 nan 0.000 0.405 120 P HA -0.199 nan 4.420 nan 0.000 0.215 120 P C 1.615 178.644 177.300 -0.452 0.000 1.157 120 P CA 1.639 64.309 63.100 -0.715 0.000 0.859 120 P CB -0.115 30.868 31.700 -1.195 0.000 0.786 121 K N 0.829 121.045 120.400 -0.306 0.000 2.228 121 K HA -0.147 4.173 4.320 -0.000 0.000 0.205 121 K C 1.976 178.432 176.600 -0.239 0.000 1.045 121 K CA 1.794 57.939 56.287 -0.237 0.000 0.931 121 K CB -1.076 31.336 32.500 -0.147 0.000 0.727 121 K HN 0.064 nan 8.250 nan 0.000 0.458 122 A N -0.194 122.500 122.820 -0.209 0.000 1.878 122 A HA 0.026 4.346 4.320 -0.000 0.000 0.213 122 A C 2.244 179.736 177.584 -0.154 0.000 1.192 122 A CA 1.161 53.109 52.037 -0.148 0.000 0.619 122 A CB -0.490 18.460 19.000 -0.084 0.000 0.837 122 A HN 0.105 nan 8.150 nan 0.000 0.446 123 V N 1.057 120.862 119.914 -0.181 0.000 2.407 123 V HA -0.258 3.862 4.120 -0.000 0.000 0.248 123 V C 2.337 178.262 176.094 -0.282 0.000 1.055 123 V CA 2.449 64.695 62.300 -0.089 0.000 1.049 123 V CB -0.808 30.993 31.823 -0.037 0.000 0.662 123 V HN 0.716 nan 8.190 nan 0.000 0.455 124 D N 0.654 120.664 120.400 -0.649 0.000 2.077 124 D HA -0.180 4.460 4.640 -0.000 0.000 0.193 124 D C 1.946 178.001 176.300 -0.408 0.000 0.989 124 D CA 1.866 55.319 54.000 -0.910 0.000 0.831 124 D CB -0.283 40.010 40.800 -0.845 0.000 0.979 124 D HN 0.392 nan 8.370 nan 0.000 0.449 125 I N 0.143 120.541 120.570 -0.287 0.000 2.335 125 I HA -0.234 3.935 4.170 -0.000 0.000 0.251 125 I C 2.515 178.516 176.117 -0.193 0.000 1.129 125 I CA 0.448 61.623 61.300 -0.208 0.000 1.402 125 I CB -0.236 37.660 38.000 -0.173 0.000 1.069 125 I HN 0.159 nan 8.210 nan 0.000 0.424 126 L N 0.451 121.590 121.223 -0.140 0.000 1.994 126 L HA -0.228 4.112 4.340 -0.000 0.000 0.208 126 L C 2.938 179.743 176.870 -0.108 0.000 1.071 126 L CA 1.986 56.789 54.840 -0.061 0.000 0.745 126 L CB -0.590 41.532 42.059 0.105 0.000 0.892 126 L HN 0.382 nan 8.230 nan 0.000 0.431 127 S N -0.875 114.693 115.700 -0.220 0.000 2.370 127 S HA -0.285 4.185 4.470 -0.000 0.000 0.226 127 S C 1.651 176.061 174.600 -0.317 0.000 1.033 127 S CA 1.637 59.476 58.200 -0.603 0.000 1.011 127 S CB -0.622 61.855 63.200 -1.206 0.000 0.852 127 S HN 0.441 nan 8.310 nan 0.000 0.457 128 D N 1.584 121.833 120.400 -0.252 0.000 2.106 128 D HA -0.089 4.551 4.640 -0.000 0.000 0.191 128 D C 1.793 177.994 176.300 -0.166 0.000 0.997 128 D CA 1.830 55.724 54.000 -0.176 0.000 0.834 128 D CB -0.400 40.306 40.800 -0.157 0.000 0.956 128 D HN 0.539 nan 8.370 nan 0.000 0.448 129 I N -0.165 120.273 120.570 -0.220 0.000 2.315 129 I HA -0.171 3.999 4.170 -0.000 0.000 0.248 129 I C 2.248 178.193 176.117 -0.286 0.000 1.117 129 I CA 0.337 61.482 61.300 -0.259 0.000 1.404 129 I CB -0.188 37.591 38.000 -0.369 0.000 1.071 129 I HN 0.171 nan 8.210 nan 0.000 0.419 130 L N 0.569 121.586 121.223 -0.344 0.000 2.056 130 L HA -0.167 4.173 4.340 -0.000 0.000 0.207 130 L C 2.470 179.336 176.870 -0.008 0.000 1.078 130 L CA 2.464 57.102 54.840 -0.337 0.000 0.749 130 L CB -0.639 41.230 42.059 -0.318 0.000 0.901 130 L HN 0.413 nan 8.230 nan 0.000 0.433 131 T N -3.719 110.841 114.554 0.010 0.000 3.146 131 T HA 0.014 4.364 4.350 -0.000 0.000 0.235 131 T C 1.285 176.025 174.700 0.067 0.000 0.985 131 T CA -0.017 62.148 62.100 0.109 0.000 1.265 131 T CB -0.517 68.441 68.868 0.151 0.000 0.946 131 T HN 0.151 nan 8.240 nan 0.000 0.418 132 K N 3.535 123.957 120.400 0.037 0.000 3.358 132 K HA 0.200 4.520 4.320 -0.000 0.000 0.297 132 K C 0.012 176.605 176.600 -0.012 0.000 1.064 132 K CA -0.236 56.058 56.287 0.012 0.000 1.144 132 K CB -0.467 32.024 32.500 -0.014 0.000 1.289 132 K HN 0.539 nan 8.250 nan 0.000 0.372 133 S N -1.167 114.532 115.700 -0.002 0.000 2.513 133 S HA 0.124 4.593 4.470 -0.000 0.000 0.276 133 S C 1.461 176.065 174.600 0.007 0.000 1.254 133 S CA -1.023 57.174 58.200 -0.004 0.000 1.053 133 S CB 1.779 64.985 63.200 0.010 0.000 0.958 133 S HN -0.007 nan 8.310 nan 0.000 0.491 134 V N 3.223 123.141 119.914 0.006 0.000 2.282 134 V HA -0.174 3.946 4.120 -0.000 0.000 0.249 134 V C 1.333 177.435 176.094 0.014 0.000 1.057 134 V CA 1.652 63.957 62.300 0.009 0.000 1.032 134 V CB -1.372 30.456 31.823 0.010 0.000 0.645 134 V HN 0.959 nan 8.190 nan 0.000 0.447 135 L N 0.530 121.770 121.223 0.028 0.000 3.601 135 L HA -0.198 4.142 4.340 -0.000 0.000 0.469 135 L C 0.153 177.034 176.870 0.019 0.000 1.294 135 L CA 0.104 54.961 54.840 0.030 0.000 0.829 135 L CB -1.830 40.235 42.059 0.010 0.000 1.628 135 L HN 0.494 nan 8.230 nan 0.000 0.868 136 D N 0.327 120.744 120.400 0.028 0.000 2.455 136 D HA 0.052 4.692 4.640 -0.000 0.000 0.241 136 D C 1.251 177.564 176.300 0.022 0.000 1.138 136 D CA 0.402 54.415 54.000 0.021 0.000 0.877 136 D CB 0.718 41.533 40.800 0.025 0.000 1.187 136 D HN 0.260 nan 8.370 nan 0.000 0.451 137 N N 1.402 120.107 118.700 0.009 0.000 2.223 137 N HA -0.166 4.574 4.740 -0.000 0.000 0.185 137 N C 1.570 177.091 175.510 0.020 0.000 1.016 137 N CA 0.992 54.044 53.050 0.004 0.000 0.863 137 N CB -0.026 38.458 38.487 -0.005 0.000 0.983 137 N HN 0.381 nan 8.380 nan 0.000 0.429 138 S N 0.180 115.894 115.700 0.023 0.000 2.356 138 S HA -0.054 4.416 4.470 -0.000 0.000 0.223 138 S C 1.978 176.606 174.600 0.047 0.000 1.032 138 S CA 1.178 59.395 58.200 0.029 0.000 1.005 138 S CB -0.370 62.844 63.200 0.024 0.000 0.867 138 S HN 0.376 nan 8.310 nan 0.000 0.449 139 A N 1.984 124.838 122.820 0.056 0.000 1.845 139 A HA 0.059 4.379 4.320 -0.000 0.000 0.215 139 A C 2.057 179.718 177.584 0.128 0.000 1.195 139 A CA 1.534 53.620 52.037 0.081 0.000 0.616 139 A CB -1.035 18.015 19.000 0.083 0.000 0.832 139 A HN 0.633 nan 8.150 nan 0.000 0.443 140 I N -0.185 120.460 120.570 0.126 0.000 2.874 140 I HA -0.231 3.939 4.170 -0.000 0.000 0.271 140 I C 1.892 178.116 176.117 0.178 0.000 1.263 140 I CA 1.020 62.416 61.300 0.161 0.000 1.443 140 I CB -0.334 37.661 38.000 -0.009 0.000 1.100 140 I HN 0.370 nan 8.210 nan 0.000 0.480 141 E N 0.311 120.587 120.200 0.127 0.000 2.256 141 E HA 0.054 4.404 4.350 -0.000 0.000 0.198 141 E C 2.136 178.799 176.600 0.105 0.000 0.908 141 E CA 0.292 56.756 56.400 0.107 0.000 0.915 141 E CB -0.025 29.709 29.700 0.057 0.000 0.890 141 E HN 0.388 nan 8.360 nan 0.000 0.484 142 R N 0.999 121.549 120.500 0.083 0.000 2.152 142 R HA -0.111 4.229 4.340 -0.000 0.000 0.232 142 R C 2.072 178.403 176.300 0.052 0.000 1.117 142 R CA 1.090 57.223 56.100 0.056 0.000 0.981 142 R CB 0.029 30.355 30.300 0.042 0.000 0.870 142 R HN -0.010 nan 8.270 nan 0.000 0.451 143 E N 0.870 121.119 120.200 0.082 0.000 2.072 143 E HA -0.131 4.218 4.350 -0.000 0.000 0.191 143 E C 1.676 178.217 176.600 -0.098 0.000 0.985 143 E CA 1.272 57.667 56.400 -0.008 0.000 0.801 143 E CB 0.058 29.761 29.700 0.004 0.000 0.750 143 E HN 0.161 nan 8.360 nan 0.000 0.452 144 R N 0.482 121.033 120.500 0.086 0.000 2.174 144 R HA -0.195 4.145 4.340 -0.000 0.000 0.253 144 R C 1.981 178.280 176.300 -0.001 0.000 1.165 144 R CA 1.535 57.691 56.100 0.093 0.000 0.984 144 R CB -0.331 30.081 30.300 0.188 0.000 0.873 144 R HN 0.309 nan 8.270 nan 0.000 0.456 145 D N 0.038 120.437 120.400 -0.001 0.000 2.162 145 D HA -0.062 4.578 4.640 -0.000 0.000 0.205 145 D C 1.836 178.119 176.300 -0.028 0.000 0.964 145 D CA 0.755 54.751 54.000 -0.007 0.000 0.847 145 D CB 0.312 41.115 40.800 0.005 0.000 0.988 145 D HN 0.003 nan 8.370 nan 0.000 0.480 146 V N 1.920 121.809 119.914 -0.041 0.000 2.332 146 V HA -0.232 3.888 4.120 -0.000 0.000 0.248 146 V C 2.551 178.621 176.094 -0.042 0.000 1.055 146 V CA 0.963 63.245 62.300 -0.030 0.000 1.038 146 V CB -0.368 31.447 31.823 -0.013 0.000 0.651 146 V HN 0.291 nan 8.190 nan 0.000 0.450 147 I N -0.310 120.175 120.570 -0.142 0.000 2.454 147 I HA -0.170 4.000 4.170 -0.000 0.000 0.254 147 I C 2.305 178.381 176.117 -0.069 0.000 1.156 147 I CA 1.445 62.637 61.300 -0.180 0.000 1.433 147 I CB -1.023 36.739 38.000 -0.397 0.000 1.082 147 I HN 0.254 nan 8.210 nan 0.000 0.432 148 I N 0.503 121.045 120.570 -0.047 0.000 2.277 148 I HA -0.172 3.998 4.170 -0.000 0.000 0.243 148 I C 2.671 178.779 176.117 -0.015 0.000 1.094 148 I CA 0.984 62.273 61.300 -0.019 0.000 1.393 148 I CB -1.165 36.831 38.000 -0.006 0.000 1.078 148 I HN 0.155 nan 8.210 nan 0.000 0.417 149 R N 1.038 121.529 120.500 -0.014 0.000 2.083 149 R HA -0.215 4.124 4.340 -0.000 0.000 0.237 149 R C 2.269 178.562 176.300 -0.013 0.000 1.137 149 R CA 1.744 57.837 56.100 -0.012 0.000 0.951 149 R CB -0.283 30.010 30.300 -0.011 0.000 0.851 149 R HN 0.371 nan 8.270 nan 0.000 0.434 150 E N -0.756 119.442 120.200 -0.004 0.000 2.038 150 E HA -0.243 4.107 4.350 -0.000 0.000 0.195 150 E C 1.875 178.463 176.600 -0.020 0.000 1.000 150 E CA 1.675 58.076 56.400 0.003 0.000 0.803 150 E CB -0.213 29.517 29.700 0.051 0.000 0.750 150 E HN 0.272 nan 8.360 nan 0.000 0.448 151 S N 0.191 115.878 115.700 -0.021 0.000 2.365 151 S HA -0.247 4.223 4.470 -0.000 0.000 0.225 151 S C 1.740 176.322 174.600 -0.030 0.000 1.039 151 S CA 1.835 60.017 58.200 -0.030 0.000 1.033 151 S CB -0.317 62.871 63.200 -0.020 0.000 0.887 151 S HN 0.309 nan 8.310 nan 0.000 0.447 152 E N -0.032 120.154 120.200 -0.023 0.000 2.265 152 E HA -0.126 4.224 4.350 -0.000 0.000 0.196 152 E C 2.128 178.704 176.600 -0.039 0.000 0.996 152 E CA 1.003 57.389 56.400 -0.023 0.000 0.832 152 E CB -0.017 29.674 29.700 -0.015 0.000 0.756 152 E HN 0.510 nan 8.360 nan 0.000 0.491 153 E N 0.217 120.390 120.200 -0.045 0.000 2.076 153 E HA -0.083 4.267 4.350 -0.000 0.000 0.190 153 E C 2.303 178.853 176.600 -0.084 0.000 0.979 153 E CA 0.448 56.811 56.400 -0.061 0.000 0.807 153 E CB -0.277 29.393 29.700 -0.051 0.000 0.761 153 E HN 0.097 nan 8.360 nan 0.000 0.454 154 V N 2.659 122.529 119.914 -0.075 0.000 2.469 154 V HA -0.226 3.894 4.120 -0.000 0.000 0.251 154 V C 1.405 177.442 176.094 -0.096 0.000 1.064 154 V CA 1.916 64.166 62.300 -0.085 0.000 1.066 154 V CB -0.461 31.318 31.823 -0.074 0.000 0.667 154 V HN 0.160 nan 8.190 nan 0.000 0.461 155 D N -0.251 120.104 120.400 -0.075 0.000 2.378 155 D HA -0.096 4.544 4.640 -0.000 0.000 0.222 155 D C 1.894 178.109 176.300 -0.141 0.000 0.980 155 D CA 0.761 54.726 54.000 -0.058 0.000 0.907 155 D CB -0.067 40.725 40.800 -0.012 0.000 0.899 155 D HN 0.484 nan 8.370 nan 0.000 0.527 156 K N -0.338 119.929 120.400 -0.221 0.000 2.367 156 K HA 0.218 4.538 4.320 -0.000 0.000 0.194 156 K C 0.659 176.872 176.600 -0.646 0.000 1.027 156 K CA 0.055 56.110 56.287 -0.387 0.000 1.075 156 K CB 0.507 32.874 32.500 -0.221 0.000 0.845 156 K HN 0.057 nan 8.250 nan 0.000 0.529 157 M N 1.622 120.963 119.600 -0.432 0.000 2.754 157 M HA 0.175 4.655 4.480 -0.000 0.000 0.327 157 M C -0.341 175.780 176.300 -0.299 0.000 1.288 157 M CA -0.458 54.633 55.300 -0.348 0.000 1.324 157 M CB 0.303 32.801 32.600 -0.170 0.000 1.169 157 M HN -0.007 nan 8.290 nan 0.000 0.494 158 Y N 0.913 121.116 120.300 -0.162 0.000 2.139 158 Y HA -0.348 4.202 4.550 -0.000 0.000 0.282 158 Y C 2.300 178.072 175.900 -0.213 0.000 1.179 158 Y CA 1.926 59.849 58.100 -0.296 0.000 1.161 158 Y CB -0.908 37.059 38.460 -0.820 0.000 0.970 158 Y HN 0.639 nan 8.280 nan 0.000 0.511 159 D N 0.010 120.408 120.400 -0.002 0.000 2.104 159 D HA -0.184 4.455 4.640 -0.000 0.000 0.194 159 D C 1.577 177.801 176.300 -0.127 0.000 0.994 159 D CA 1.539 55.421 54.000 -0.198 0.000 0.830 159 D CB -0.528 40.147 40.800 -0.209 0.000 0.959 159 D HN 0.325 nan 8.370 nan 0.000 0.452 160 E N 0.654 120.842 120.200 -0.020 0.000 2.085 160 E HA -0.104 4.246 4.350 -0.000 0.000 0.194 160 E C 2.585 179.208 176.600 0.038 0.000 0.994 160 E CA 0.539 56.956 56.400 0.028 0.000 0.801 160 E CB -0.413 29.270 29.700 -0.029 0.000 0.743 160 E HN 0.274 nan 8.360 nan 0.000 0.453 161 V N 1.215 121.142 119.914 0.022 0.000 2.220 161 V HA -0.249 3.871 4.120 -0.000 0.000 0.246 161 V C 2.659 178.844 176.094 0.152 0.000 1.049 161 V CA 1.679 64.035 62.300 0.094 0.000 1.003 161 V CB -0.779 31.120 31.823 0.126 0.000 0.634 161 V HN 0.058 nan 8.190 nan 0.000 0.444 162 V N -0.667 119.272 119.914 0.041 0.000 2.324 162 V HA -0.296 3.824 4.120 -0.000 0.000 0.250 162 V C 2.235 178.313 176.094 -0.026 0.000 1.060 162 V CA 2.293 64.578 62.300 -0.025 0.000 1.042 162 V CB -0.824 30.925 31.823 -0.123 0.000 0.650 162 V HN 0.446 nan 8.190 nan 0.000 0.450 163 F N 0.154 120.107 119.950 0.005 0.000 2.234 163 F HA -0.077 4.450 4.527 -0.000 0.000 0.299 163 F C 2.245 178.077 175.800 0.054 0.000 1.087 163 F CA 1.108 59.097 58.000 -0.018 0.000 1.340 163 F CB -0.661 38.251 39.000 -0.146 0.000 1.031 163 F HN 0.212 nan 8.300 nan 0.000 0.500 164 D N -0.865 119.641 120.400 0.176 0.000 2.097 164 D HA -0.170 4.470 4.640 -0.000 0.000 0.195 164 D C 2.108 178.457 176.300 0.082 0.000 0.989 164 D CA 1.531 55.566 54.000 0.059 0.000 0.827 164 D CB -0.438 40.339 40.800 -0.038 0.000 0.966 164 D HN 0.320 nan 8.370 nan 0.000 0.456 165 H N -0.054 119.063 119.070 0.078 0.000 2.321 165 H HA -0.076 4.480 4.556 -0.000 0.000 0.300 165 H C 1.956 177.323 175.328 0.065 0.000 1.087 165 H CA 0.892 56.973 56.048 0.054 0.000 1.319 165 H CB -0.246 29.527 29.762 0.018 0.000 1.379 165 H HN 0.012 nan 8.280 nan 0.000 0.501 166 L N 0.160 121.517 121.223 0.223 0.000 2.013 166 L HA -0.250 4.089 4.340 -0.000 0.000 0.212 166 L C 1.865 178.788 176.870 0.089 0.000 1.073 166 L CA 1.924 56.852 54.840 0.146 0.000 0.753 166 L CB -0.544 41.647 42.059 0.220 0.000 0.890 166 L HN 0.296 nan 8.230 nan 0.000 0.432 167 H N -0.813 118.302 119.070 0.075 0.000 2.421 167 H HA -0.131 4.425 4.556 -0.000 0.000 0.298 167 H C 2.240 177.606 175.328 0.062 0.000 1.087 167 H CA 1.671 57.775 56.048 0.094 0.000 1.330 167 H CB 0.099 29.961 29.762 0.166 0.000 1.388 167 H HN 0.501 nan 8.280 nan 0.000 0.526 168 E N 0.093 120.382 120.200 0.148 0.000 2.047 168 E HA -0.125 4.225 4.350 -0.000 0.000 0.191 168 E C 2.051 178.665 176.600 0.023 0.000 0.987 168 E CA 1.368 57.815 56.400 0.077 0.000 0.799 168 E CB -0.006 29.715 29.700 0.035 0.000 0.752 168 E HN 0.653 nan 8.360 nan 0.000 0.449 169 I N -1.999 118.561 120.570 -0.016 0.000 3.226 169 I HA -0.004 4.166 4.170 -0.000 0.000 0.277 169 I C 1.695 177.692 176.117 -0.200 0.000 1.243 169 I CA 0.805 62.062 61.300 -0.071 0.000 1.459 169 I CB 0.123 38.090 38.000 -0.054 0.000 1.093 169 I HN -0.098 nan 8.210 nan 0.000 0.453 170 T N 0.346 114.703 114.554 -0.329 0.000 2.937 170 T HA 0.013 4.363 4.350 -0.000 0.000 0.260 170 T C 0.212 174.517 174.700 -0.657 0.000 1.051 170 T CA 1.222 62.896 62.100 -0.710 0.000 1.141 170 T CB -0.207 68.081 68.868 -0.966 0.000 0.879 170 T HN 0.333 nan 8.240 nan 0.000 0.459 171 Y N 1.849 122.049 120.300 -0.166 0.000 2.696 171 Y HA 0.510 5.060 4.550 -0.000 0.000 0.378 171 Y C 0.227 176.093 175.900 -0.057 0.000 1.012 171 Y CA -1.942 56.100 58.100 -0.097 0.000 1.396 171 Y CB -0.194 38.226 38.460 -0.067 0.000 1.415 171 Y HN -0.143 nan 8.280 nan 0.000 0.569 172 K N 2.216 122.638 120.400 0.037 0.000 2.473 172 K HA -0.085 4.235 4.320 -0.000 0.000 0.277 172 K C 0.136 176.765 176.600 0.049 0.000 1.052 172 K CA 0.783 57.086 56.287 0.027 0.000 1.114 172 K CB -0.222 32.277 32.500 -0.002 0.000 0.869 172 K HN 0.465 nan 8.250 nan 0.000 0.481 173 D N 3.198 123.625 120.400 0.045 0.000 2.686 173 D HA -0.230 4.409 4.640 -0.000 0.000 0.235 173 D C -0.633 175.691 176.300 0.040 0.000 1.160 173 D CA 1.038 55.061 54.000 0.038 0.000 0.645 173 D CB -0.631 40.187 40.800 0.029 0.000 1.039 173 D HN 0.669 nan 8.370 nan 0.000 0.423 174 Q N -1.631 118.199 119.800 0.051 0.000 2.528 174 Q HA 0.352 4.692 4.340 -0.000 0.000 0.289 174 Q C -1.928 174.075 176.000 0.006 0.000 1.091 174 Q CA -1.772 54.047 55.803 0.026 0.000 0.797 174 Q CB 1.943 30.701 28.738 0.033 0.000 1.466 174 Q HN -0.197 nan 8.270 nan 0.000 0.436 175 P HA -0.180 nan 4.420 nan 0.000 0.215 175 P C 1.070 178.332 177.300 -0.065 0.000 1.157 175 P CA 1.062 64.139 63.100 -0.039 0.000 0.868 175 P CB 0.222 31.891 31.700 -0.052 0.000 0.788 176 L N -0.586 120.532 121.223 -0.175 0.000 2.127 176 L HA -0.095 4.245 4.340 -0.000 0.000 0.211 176 L C 2.467 179.379 176.870 0.070 0.000 1.089 176 L CA 2.180 56.876 54.840 -0.240 0.000 0.757 176 L CB -1.804 39.796 42.059 -0.764 0.000 0.899 176 L HN 0.019 nan 8.230 nan 0.000 0.434 177 G N -0.877 108.003 108.800 0.134 0.000 2.448 177 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.219 177 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.219 177 G C 0.963 175.943 174.900 0.133 0.000 1.127 177 G CA 0.117 45.346 45.100 0.215 0.000 0.766 177 G HN 0.307 nan 8.290 nan 0.000 0.552 178 R N 0.724 121.265 120.500 0.069 0.000 2.539 178 R HA 0.391 4.731 4.340 -0.000 0.000 0.275 178 R C 0.719 177.027 176.300 0.015 0.000 1.077 178 R CA 0.098 56.219 56.100 0.034 0.000 1.097 178 R CB 0.426 30.742 30.300 0.027 0.000 1.018 178 R HN 0.224 nan 8.270 nan 0.000 0.483 179 T N -1.521 113.026 114.554 -0.012 0.000 2.788 179 T HA 0.180 4.530 4.350 -0.000 0.000 0.287 179 T C 1.512 176.193 174.700 -0.033 0.000 1.007 179 T CA -0.557 61.517 62.100 -0.042 0.000 1.005 179 T CB 0.586 69.418 68.868 -0.061 0.000 1.012 179 T HN 0.500 nan 8.240 nan 0.000 0.530 180 I N 0.284 120.818 120.570 -0.059 0.000 2.277 180 I HA -0.015 4.154 4.170 -0.000 0.000 0.243 180 I C 2.260 178.338 176.117 -0.065 0.000 1.094 180 I CA 0.611 61.879 61.300 -0.053 0.000 1.393 180 I CB -0.317 37.630 38.000 -0.088 0.000 1.078 180 I HN 0.467 nan 8.210 nan 0.000 0.417 181 L N 0.740 121.890 121.223 -0.121 0.000 2.141 181 L HA 0.083 4.423 4.340 -0.000 0.000 0.209 181 L C 1.121 178.008 176.870 0.029 0.000 1.094 181 L CA 1.332 56.123 54.840 -0.081 0.000 0.763 181 L CB -1.152 40.836 42.059 -0.118 0.000 0.908 181 L HN 0.421 nan 8.230 nan 0.000 0.437 182 G N -1.629 107.174 108.800 0.006 0.000 2.746 182 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.685 182 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.685 182 G C -2.635 172.273 174.900 0.015 0.000 1.350 182 G CA -0.694 44.420 45.100 0.023 0.000 0.837 182 G HN 0.084 nan 8.290 nan 0.000 0.564 183 P HA 0.362 nan 4.420 nan 0.000 0.275 183 P C 1.571 178.885 177.300 0.023 0.000 1.228 183 P CA -0.800 62.307 63.100 0.012 0.000 0.786 183 P CB 0.507 32.215 31.700 0.012 0.000 0.927 184 I N 1.416 121.997 120.570 0.019 0.000 2.185 184 I HA -0.286 3.884 4.170 -0.000 0.000 0.246 184 I C 2.168 178.305 176.117 0.034 0.000 1.088 184 I CA 1.862 63.177 61.300 0.025 0.000 1.347 184 I CB -1.017 36.995 38.000 0.020 0.000 1.041 184 I HN 0.612 nan 8.210 nan 0.000 0.415 185 K N 1.434 121.850 120.400 0.027 0.000 2.001 185 K HA -0.286 4.034 4.320 -0.000 0.000 0.223 185 K C 1.805 178.424 176.600 0.031 0.000 1.055 185 K CA 2.652 58.955 56.287 0.026 0.000 0.965 185 K CB -0.187 32.325 32.500 0.020 0.000 0.730 185 K HN 0.236 nan 8.250 nan 0.000 0.449 186 N N 0.602 119.322 118.700 0.034 0.000 2.289 186 N HA -0.102 4.638 4.740 -0.000 0.000 0.184 186 N C 1.708 177.258 175.510 0.066 0.000 1.016 186 N CA 1.274 54.346 53.050 0.037 0.000 0.872 186 N CB -0.140 38.369 38.487 0.038 0.000 0.973 186 N HN 0.330 nan 8.380 nan 0.000 0.433 187 I N 0.362 120.988 120.570 0.094 0.000 2.493 187 I HA -0.191 3.979 4.170 -0.000 0.000 0.254 187 I C 1.513 177.731 176.117 0.168 0.000 1.160 187 I CA 1.069 62.470 61.300 0.169 0.000 1.445 187 I CB -0.054 38.011 38.000 0.108 0.000 1.086 187 I HN 0.118 nan 8.210 nan 0.000 0.433 188 K N 0.146 120.599 120.400 0.089 0.000 2.379 188 K HA 0.046 4.366 4.320 -0.000 0.000 0.194 188 K C 1.569 178.190 176.600 0.035 0.000 1.031 188 K CA 0.911 57.238 56.287 0.067 0.000 1.037 188 K CB 0.202 32.729 32.500 0.044 0.000 0.824 188 K HN 0.266 nan 8.250 nan 0.000 0.516 189 S N 0.022 115.733 115.700 0.019 0.000 2.650 189 S HA 0.226 4.696 4.470 -0.000 0.000 0.240 189 S C 0.384 174.951 174.600 -0.055 0.000 1.007 189 S CA -0.608 57.584 58.200 -0.013 0.000 0.984 189 S CB 0.183 63.380 63.200 -0.005 0.000 0.910 189 S HN -0.062 nan 8.310 nan 0.000 0.509 190 I N 4.368 124.878 120.570 -0.101 0.000 2.471 190 I HA 0.214 4.384 4.170 -0.000 0.000 0.286 190 I C 0.907 176.875 176.117 -0.248 0.000 1.079 190 I CA 0.400 61.576 61.300 -0.208 0.000 1.398 190 I CB 0.592 38.355 38.000 -0.394 0.000 1.403 190 I HN 0.404 nan 8.210 nan 0.000 0.530 191 T N 3.418 117.862 114.554 -0.183 0.000 2.929 191 T HA 0.340 4.690 4.350 -0.000 0.000 0.284 191 T C 1.089 175.691 174.700 -0.164 0.000 1.014 191 T CA -0.837 61.174 62.100 -0.150 0.000 1.051 191 T CB 1.772 70.587 68.868 -0.088 0.000 1.028 191 T HN 0.666 nan 8.240 nan 0.000 0.485 192 R N 0.877 121.295 120.500 -0.137 0.000 2.261 192 R HA -0.121 4.219 4.340 -0.000 0.000 0.236 192 R C 1.534 177.784 176.300 -0.084 0.000 1.141 192 R CA 1.860 57.892 56.100 -0.114 0.000 1.001 192 R CB -0.823 29.432 30.300 -0.074 0.000 0.866 192 R HN 0.825 nan 8.270 nan 0.000 0.468 193 T N 0.522 115.032 114.554 -0.072 0.000 2.851 193 T HA -0.056 4.294 4.350 -0.000 0.000 0.262 193 T C 1.022 175.693 174.700 -0.048 0.000 1.043 193 T CA 1.035 63.105 62.100 -0.051 0.000 1.140 193 T CB -0.185 68.659 68.868 -0.040 0.000 0.872 193 T HN 0.293 nan 8.240 nan 0.000 0.446 194 D N 1.718 122.081 120.400 -0.062 0.000 2.126 194 D HA -0.095 4.545 4.640 -0.000 0.000 0.190 194 D C 2.188 178.472 176.300 -0.027 0.000 1.001 194 D CA 0.985 54.959 54.000 -0.044 0.000 0.841 194 D CB -0.443 40.312 40.800 -0.075 0.000 0.949 194 D HN 0.310 nan 8.370 nan 0.000 0.446 195 L N 0.806 121.982 121.223 -0.079 0.000 1.956 195 L HA -0.219 4.121 4.340 -0.000 0.000 0.216 195 L C 2.505 179.357 176.870 -0.029 0.000 1.073 195 L CA 1.462 56.261 54.840 -0.068 0.000 0.762 195 L CB -0.636 41.363 42.059 -0.100 0.000 0.889 195 L HN 0.001 nan 8.230 nan 0.000 0.433 196 K N -0.159 120.216 120.400 -0.042 0.000 2.160 196 K HA -0.200 4.120 4.320 -0.000 0.000 0.206 196 K C 1.677 178.250 176.600 -0.045 0.000 1.047 196 K CA 1.483 57.744 56.287 -0.043 0.000 0.930 196 K CB -0.256 32.222 32.500 -0.036 0.000 0.720 196 K HN 0.434 nan 8.250 nan 0.000 0.450 197 D N -0.105 120.281 120.400 -0.024 0.000 2.137 197 D HA -0.138 4.502 4.640 -0.000 0.000 0.202 197 D C 1.806 178.088 176.300 -0.031 0.000 0.970 197 D CA 0.866 54.850 54.000 -0.025 0.000 0.837 197 D CB -0.226 40.568 40.800 -0.011 0.000 0.981 197 D HN 0.168 nan 8.370 nan 0.000 0.475 198 Y N 2.022 122.247 120.300 -0.125 0.000 2.165 198 Y HA -0.201 4.349 4.550 -0.000 0.000 0.286 198 Y C 2.235 177.963 175.900 -0.287 0.000 1.155 198 Y CA 1.293 59.308 58.100 -0.142 0.000 1.164 198 Y CB -0.363 38.033 38.460 -0.107 0.000 0.978 198 Y HN -0.099 nan 8.280 nan 0.000 0.513 199 I N -0.953 119.509 120.570 -0.180 0.000 2.142 199 I HA -0.360 3.809 4.170 -0.000 0.000 0.240 199 I C 2.263 178.170 176.117 -0.350 0.000 1.078 199 I CA 1.929 62.880 61.300 -0.583 0.000 1.343 199 I CB -0.881 36.895 38.000 -0.373 0.000 1.046 199 I HN 0.203 nan 8.210 nan 0.000 0.405 200 T N 0.656 115.106 114.554 -0.174 0.000 2.708 200 T HA -0.244 4.106 4.350 -0.000 0.000 0.266 200 T C 1.953 176.597 174.700 -0.094 0.000 1.037 200 T CA 1.655 63.697 62.100 -0.096 0.000 1.146 200 T CB -0.220 68.609 68.868 -0.064 0.000 0.865 200 T HN 0.300 nan 8.240 nan 0.000 0.435 201 K N 0.745 121.067 120.400 -0.129 0.000 2.002 201 K HA -0.130 4.190 4.320 -0.000 0.000 0.209 201 K C 2.021 178.543 176.600 -0.130 0.000 1.048 201 K CA 1.510 57.720 56.287 -0.128 0.000 0.930 201 K CB -0.053 32.352 32.500 -0.159 0.000 0.714 201 K HN 0.251 nan 8.250 nan 0.000 0.438 202 N N -0.487 118.089 118.700 -0.208 0.000 2.278 202 N HA -0.080 4.659 4.740 -0.000 0.000 0.181 202 N C 0.119 175.738 175.510 0.181 0.000 1.023 202 N CA 0.517 53.510 53.050 -0.095 0.000 0.862 202 N CB -0.105 38.198 38.487 -0.307 0.000 1.003 202 N HN 0.126 nan 8.380 nan 0.000 0.431 203 Y N 2.793 123.071 120.300 -0.037 0.000 2.525 203 Y HA 0.089 4.639 4.550 -0.000 0.000 0.337 203 Y C 0.381 176.280 175.900 -0.002 0.000 1.248 203 Y CA -0.159 57.949 58.100 0.013 0.000 1.882 203 Y CB -1.032 37.451 38.460 0.037 0.000 1.811 203 Y HN -0.257 nan 8.280 nan 0.000 0.434 204 K N 0.034 120.516 120.400 0.136 0.000 2.270 204 K HA 0.394 4.714 4.320 -0.000 0.000 0.255 204 K C 1.229 177.859 176.600 0.050 0.000 0.936 204 K CA -0.264 56.065 56.287 0.069 0.000 0.809 204 K CB 2.066 34.592 32.500 0.043 0.000 1.131 204 K HN 0.528 nan 8.250 nan 0.000 0.427 205 G N 2.247 111.071 108.800 0.040 0.000 2.505 205 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.220 205 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.220 205 G C 0.793 175.704 174.900 0.018 0.000 1.145 205 G CA 1.238 46.358 45.100 0.033 0.000 0.761 205 G HN 0.801 nan 8.290 nan 0.000 0.571 206 D N -0.201 120.210 120.400 0.019 0.000 2.371 206 D HA -0.022 4.618 4.640 -0.000 0.000 0.234 206 D C 1.717 178.026 176.300 0.016 0.000 1.049 206 D CA 0.239 54.248 54.000 0.014 0.000 0.907 206 D CB -0.119 40.690 40.800 0.014 0.000 0.891 206 D HN 0.330 nan 8.370 nan 0.000 0.531 207 R N -0.318 120.195 120.500 0.022 0.000 2.565 207 R HA 0.306 4.646 4.340 -0.000 0.000 0.347 207 R C 0.090 176.406 176.300 0.027 0.000 1.010 207 R CA -0.135 55.983 56.100 0.029 0.000 1.126 207 R CB 0.551 30.876 30.300 0.042 0.000 1.331 207 R HN 0.258 nan 8.270 nan 0.000 0.552 208 M N -1.437 118.168 119.600 0.007 0.000 2.550 208 M HA 0.564 5.044 4.480 -0.000 0.000 0.292 208 M C -1.048 175.237 176.300 -0.025 0.000 1.221 208 M CA -1.263 54.034 55.300 -0.005 0.000 0.873 208 M CB 2.509 35.083 32.600 -0.043 0.000 1.727 208 M HN -0.352 nan 8.290 nan 0.000 0.459 209 V N 2.361 122.274 119.914 -0.001 0.000 2.588 209 V HA 0.533 4.653 4.120 -0.000 0.000 0.304 209 V C -1.162 174.933 176.094 0.002 0.000 1.042 209 V CA -0.657 61.627 62.300 -0.027 0.000 0.877 209 V CB 2.032 33.816 31.823 -0.066 0.000 0.996 209 V HN 0.800 nan 8.190 nan 0.000 0.425 210 L N 4.701 125.877 121.223 -0.077 0.000 2.276 210 L HA 0.872 5.212 4.340 -0.000 0.000 0.286 210 L C 0.218 177.087 176.870 -0.001 0.000 1.024 210 L CA 0.138 54.930 54.840 -0.079 0.000 0.826 210 L CB 0.839 42.758 42.059 -0.235 0.000 1.211 210 L HN 0.818 nan 8.230 nan 0.000 0.422 211 A N 3.495 126.367 122.820 0.087 0.000 2.337 211 A HA 0.943 5.263 4.320 -0.000 0.000 0.329 211 A C -0.161 177.478 177.584 0.092 0.000 1.146 211 A CA 0.017 52.080 52.037 0.043 0.000 0.800 211 A CB 1.349 20.301 19.000 -0.081 0.000 1.220 211 A HN 0.844 nan 8.150 nan 0.000 0.472 212 G N -0.648 108.192 108.800 0.067 0.000 2.696 212 G HA2 0.823 4.783 3.960 -0.000 0.000 0.295 212 G HA3 0.823 4.783 3.960 -0.000 0.000 0.295 212 G C -0.938 174.005 174.900 0.072 0.000 1.398 212 G CA 0.112 45.260 45.100 0.080 0.000 0.920 212 G HN 1.840 nan 8.290 nan 0.000 0.492 213 A N -0.354 122.504 122.820 0.064 0.000 2.589 213 A HA 1.103 5.423 4.320 -0.000 0.000 0.296 213 A C 0.302 177.899 177.584 0.023 0.000 1.062 213 A CA 0.346 52.409 52.037 0.042 0.000 0.686 213 A CB 1.389 20.401 19.000 0.019 0.000 1.282 213 A HN 2.721 nan 8.150 nan 0.000 0.404 214 G N -0.330 108.456 108.800 -0.023 0.000 2.358 214 G HA2 0.473 4.433 3.960 -0.000 0.000 0.198 214 G HA3 0.473 4.433 3.960 -0.000 0.000 0.198 214 G C 0.352 175.204 174.900 -0.080 0.000 1.220 214 G CA 0.063 45.124 45.100 -0.066 0.000 1.187 214 G HN 2.314 nan 8.290 nan 0.000 0.544 215 A N 0.024 122.831 122.820 -0.021 0.000 2.906 215 A HA 0.598 4.918 4.320 -0.000 0.000 0.289 215 A C 0.024 177.698 177.584 0.151 0.000 1.675 215 A CA 0.550 52.629 52.037 0.070 0.000 1.372 215 A CB -0.615 18.423 19.000 0.063 0.000 1.091 215 A HN 1.772 nan 8.150 nan 0.000 0.579 216 V N 2.569 122.634 119.914 0.252 0.000 2.623 216 V HA 0.233 4.353 4.120 -0.000 0.000 0.304 216 V C -0.754 175.482 176.094 0.238 0.000 1.054 216 V CA -0.964 61.461 62.300 0.208 0.000 0.882 216 V CB 2.065 33.980 31.823 0.155 0.000 1.002 216 V HN 0.762 nan 8.190 nan 0.000 0.424 217 D N 2.173 122.672 120.400 0.165 0.000 2.316 217 D HA 0.147 4.787 4.640 -0.000 0.000 0.245 217 D C 0.976 177.358 176.300 0.137 0.000 1.171 217 D CA 0.109 54.185 54.000 0.125 0.000 0.856 217 D CB 1.136 41.996 40.800 0.100 0.000 1.090 217 D HN 0.722 nan 8.370 nan 0.000 0.476 218 H N 3.440 122.548 119.070 0.063 0.000 2.319 218 H HA -0.172 4.384 4.556 -0.000 0.000 0.297 218 H C 1.295 176.657 175.328 0.058 0.000 1.097 218 H CA 2.368 58.452 56.048 0.060 0.000 1.285 218 H CB 0.518 30.302 29.762 0.037 0.000 1.368 218 H HN 0.408 nan 8.280 nan 0.000 0.495 219 E N 0.442 120.700 120.200 0.097 0.000 2.038 219 E HA -0.137 4.213 4.350 -0.000 0.000 0.195 219 E C 2.187 178.776 176.600 -0.018 0.000 1.000 219 E CA 1.491 57.911 56.400 0.034 0.000 0.803 219 E CB -0.017 29.718 29.700 0.058 0.000 0.750 219 E HN 0.486 nan 8.360 nan 0.000 0.448 220 K N -0.196 120.222 120.400 0.030 0.000 2.103 220 K HA -0.162 4.158 4.320 -0.000 0.000 0.207 220 K C 2.102 178.794 176.600 0.153 0.000 1.048 220 K CA 1.136 57.456 56.287 0.054 0.000 0.930 220 K CB -0.255 32.355 32.500 0.183 0.000 0.716 220 K HN 0.090 nan 8.250 nan 0.000 0.444 221 L N 0.861 122.173 121.223 0.149 0.000 2.201 221 L HA -0.112 4.228 4.340 -0.000 0.000 0.212 221 L C 1.879 178.787 176.870 0.063 0.000 1.105 221 L CA 1.170 56.116 54.840 0.177 0.000 0.775 221 L CB 0.021 42.113 42.059 0.055 0.000 0.913 221 L HN -0.104 nan 8.230 nan 0.000 0.440 222 V N -0.679 119.180 119.914 -0.091 0.000 2.515 222 V HA -0.268 3.851 4.120 -0.000 0.000 0.250 222 V C 2.405 178.491 176.094 -0.012 0.000 1.058 222 V CA 1.692 63.936 62.300 -0.092 0.000 1.064 222 V CB -0.608 31.134 31.823 -0.136 0.000 0.675 222 V HN 0.538 nan 8.190 nan 0.000 0.461 223 Q N -0.837 118.934 119.800 -0.049 0.000 1.967 223 Q HA -0.204 4.136 4.340 -0.000 0.000 0.202 223 Q C 2.269 178.245 176.000 -0.041 0.000 0.985 223 Q CA 2.195 57.928 55.803 -0.116 0.000 0.839 223 Q CB -0.398 28.164 28.738 -0.293 0.000 0.906 223 Q HN 0.650 nan 8.270 nan 0.000 0.423 224 Y N 0.724 121.096 120.300 0.120 0.000 2.228 224 Y HA -0.288 4.262 4.550 -0.000 0.000 0.285 224 Y C 2.382 178.484 175.900 0.337 0.000 1.178 224 Y CA 1.009 59.267 58.100 0.264 0.000 1.202 224 Y CB -0.796 37.821 38.460 0.262 0.000 0.974 224 Y HN 0.202 nan 8.280 nan 0.000 0.527 225 A N -0.157 122.883 122.820 0.367 0.000 1.865 225 A HA -0.330 3.990 4.320 -0.000 0.000 0.217 225 A C 2.185 179.969 177.584 0.332 0.000 1.191 225 A CA 2.092 54.335 52.037 0.344 0.000 0.623 225 A CB -0.905 18.179 19.000 0.139 0.000 0.826 225 A HN 0.428 nan 8.150 nan 0.000 0.444 226 Q N 0.057 119.962 119.800 0.176 0.000 2.030 226 Q HA -0.219 4.121 4.340 -0.000 0.000 0.204 226 Q C 2.075 178.123 176.000 0.081 0.000 0.986 226 Q CA 2.564 58.435 55.803 0.114 0.000 0.843 226 Q CB -0.346 28.414 28.738 0.036 0.000 0.904 226 Q HN 0.662 nan 8.270 nan 0.000 0.420 227 K N -1.497 118.904 120.400 0.002 0.000 2.113 227 K HA -0.205 4.115 4.320 -0.000 0.000 0.208 227 K C 0.934 177.306 176.600 -0.379 0.000 1.047 227 K CA 1.663 57.815 56.287 -0.226 0.000 0.928 227 K CB -0.104 32.177 32.500 -0.365 0.000 0.716 227 K HN 0.365 nan 8.250 nan 0.000 0.446 228 Y N -2.349 117.999 120.300 0.080 0.000 2.445 228 Y HA 0.208 4.758 4.550 -0.000 0.000 0.247 228 Y C 0.556 176.328 175.900 -0.213 0.000 1.129 228 Y CA -0.313 57.730 58.100 -0.095 0.000 1.251 228 Y CB 0.746 39.142 38.460 -0.106 0.000 1.176 228 Y HN -0.039 nan 8.280 nan 0.000 0.522 229 F N -2.063 118.046 119.950 0.265 0.000 2.798 229 F HA 0.331 4.858 4.527 -0.000 0.000 0.328 229 F C 2.059 177.981 175.800 0.203 0.000 1.098 229 F CA -0.007 58.149 58.000 0.260 0.000 1.172 229 F CB 0.124 39.215 39.000 0.152 0.000 1.072 229 F HN -0.041 nan 8.300 nan 0.000 0.555 230 G N 0.499 109.482 108.800 0.304 0.000 2.440 230 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.218 230 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.218 230 G C 1.472 176.475 174.900 0.172 0.000 1.154 230 G CA 1.214 46.424 45.100 0.183 0.000 0.767 230 G HN 0.536 nan 8.290 nan 0.000 0.552 231 H N 0.162 119.250 119.070 0.030 0.000 2.567 231 H HA 0.144 4.700 4.556 -0.000 0.000 0.281 231 H C -0.232 175.120 175.328 0.040 0.000 1.055 231 H CA 0.105 56.162 56.048 0.016 0.000 1.185 231 H CB -1.071 28.682 29.762 -0.015 0.000 1.325 231 H HN 0.093 nan 8.280 nan 0.000 0.622 232 V N 3.249 123.044 119.914 -0.200 0.000 2.383 232 V HA 0.192 4.311 4.120 -0.000 0.000 0.275 232 V C -1.877 174.178 176.094 -0.066 0.000 1.036 232 V CA -1.696 60.476 62.300 -0.213 0.000 0.889 232 V CB 1.405 33.201 31.823 -0.044 0.000 0.985 232 V HN 0.246 nan 8.190 nan 0.000 0.459 233 P HA -0.001 nan 4.420 nan 0.000 0.264 233 P C -0.383 176.918 177.300 0.002 0.000 1.179 233 P CA 0.306 63.395 63.100 -0.019 0.000 0.763 233 P CB 0.488 32.179 31.700 -0.016 0.000 0.806 234 K N 1.673 122.076 120.400 0.006 0.000 2.106 234 K HA 0.407 4.727 4.320 -0.000 0.000 0.246 234 K C -0.209 176.397 176.600 0.009 0.000 0.987 234 K CA -0.562 55.731 56.287 0.011 0.000 0.904 234 K CB 0.678 33.185 32.500 0.011 0.000 1.071 234 K HN 0.320 nan 8.250 nan 0.000 0.453 235 S N 1.109 116.816 115.700 0.011 0.000 2.584 235 S HA 0.002 4.472 4.470 -0.000 0.000 0.273 235 S C 0.885 175.488 174.600 0.005 0.000 1.311 235 S CA -0.497 57.707 58.200 0.007 0.000 1.034 235 S CB 1.280 64.485 63.200 0.008 0.000 0.939 235 S HN 0.719 nan 8.310 nan 0.000 0.513 236 E N 0.914 121.115 120.200 0.002 0.000 2.285 236 E HA 0.018 4.367 4.350 -0.000 0.000 0.194 236 E C 0.080 176.682 176.600 0.003 0.000 0.997 236 E CA 0.523 56.924 56.400 0.002 0.000 0.845 236 E CB 0.094 29.793 29.700 -0.001 0.000 0.782 236 E HN 0.294 nan 8.360 nan 0.000 0.491 237 S N 2.275 117.977 115.700 0.003 0.000 2.143 237 S HA 0.299 4.769 4.470 -0.000 0.000 0.188 237 S C -2.446 172.158 174.600 0.006 0.000 1.431 237 S CA -1.059 57.144 58.200 0.004 0.000 1.253 237 S CB 0.879 64.081 63.200 0.003 0.000 1.137 237 S HN 0.118 nan 8.310 nan 0.000 0.457 238 P HA 0.130 nan 4.420 nan 0.000 0.265 238 P C -0.642 176.664 177.300 0.010 0.000 1.187 238 P CA -0.112 62.993 63.100 0.009 0.000 0.766 238 P CB 0.519 32.224 31.700 0.010 0.000 0.820 239 V N 0.729 120.649 119.914 0.012 0.000 2.760 239 V HA 0.575 4.694 4.120 -0.000 0.000 0.309 239 V C -2.751 173.351 176.094 0.013 0.000 1.077 239 V CA -2.921 59.387 62.300 0.013 0.000 0.910 239 V CB 1.505 33.337 31.823 0.015 0.000 1.008 239 V HN 0.291 nan 8.190 nan 0.000 0.424 240 P HA 0.227 nan 4.420 nan 0.000 0.265 240 P C 1.214 178.521 177.300 0.011 0.000 1.187 240 P CA 0.006 63.112 63.100 0.010 0.000 0.766 240 P CB 0.602 32.308 31.700 0.009 0.000 0.820 241 L N 1.706 122.933 121.223 0.006 0.000 2.211 241 L HA -0.260 4.080 4.340 -0.000 0.000 0.216 241 L C 2.227 179.104 176.870 0.011 0.000 1.092 241 L CA 2.084 56.928 54.840 0.006 0.000 0.767 241 L CB -0.801 41.252 42.059 -0.010 0.000 0.894 241 L HN 0.631 nan 8.230 nan 0.000 0.437 242 G N -1.222 107.585 108.800 0.011 0.000 2.459 242 G HA2 -0.088 3.872 3.960 -0.000 0.000 0.213 242 G HA3 -0.088 3.872 3.960 -0.000 0.000 0.213 242 G C 0.700 175.620 174.900 0.034 0.000 1.155 242 G CA 0.442 45.554 45.100 0.021 0.000 0.811 242 G HN 0.448 nan 8.290 nan 0.000 0.534 243 S N 2.286 118.003 115.700 0.028 0.000 2.561 243 S HA 0.212 4.682 4.470 -0.000 0.000 0.294 243 S C -2.110 172.511 174.600 0.035 0.000 1.294 243 S CA -0.935 57.282 58.200 0.030 0.000 1.055 243 S CB 0.322 63.536 63.200 0.023 0.000 0.819 243 S HN 0.287 nan 8.310 nan 0.000 0.503 244 P HA -0.004 nan 4.420 nan 0.000 0.259 244 P C 0.627 177.946 177.300 0.031 0.000 1.163 244 P CA -0.078 63.045 63.100 0.038 0.000 0.760 244 P CB 0.502 32.223 31.700 0.035 0.000 0.762 245 R N 3.463 123.983 120.500 0.033 0.000 2.096 245 R HA -0.082 4.258 4.340 -0.000 0.000 0.240 245 R C 1.416 177.725 176.300 0.016 0.000 1.139 245 R CA 2.502 58.616 56.100 0.023 0.000 0.952 245 R CB -0.708 29.604 30.300 0.019 0.000 0.854 245 R HN 0.792 nan 8.270 nan 0.000 0.436 246 G N -2.276 106.534 108.800 0.017 0.000 2.307 246 G HA2 0.087 4.047 3.960 -0.000 0.000 0.077 246 G HA3 0.087 4.047 3.960 -0.000 0.000 0.077 246 G C -2.259 172.651 174.900 0.016 0.000 0.867 246 G CA -0.379 44.729 45.100 0.014 0.000 1.246 246 G HN 0.267 nan 8.290 nan 0.000 0.489 247 P HA 0.659 nan 4.420 nan 0.000 0.287 247 P C -0.730 176.581 177.300 0.018 0.000 1.281 247 P CA -0.562 62.549 63.100 0.018 0.000 0.781 247 P CB 1.236 32.945 31.700 0.016 0.000 0.903 248 L N 6.339 127.580 121.223 0.030 0.000 2.499 248 L HA 0.167 4.507 4.340 -0.000 0.000 0.273 248 L C -1.680 175.215 176.870 0.042 0.000 1.195 248 L CA -0.851 54.012 54.840 0.038 0.000 0.882 248 L CB -1.095 40.996 42.059 0.054 0.000 1.133 248 L HN 0.373 nan 8.230 nan 0.000 0.483 249 P HA 0.108 nan 4.420 nan 0.000 0.269 249 P C -1.061 176.331 177.300 0.153 0.000 1.217 249 P CA -0.191 62.925 63.100 0.027 0.000 0.783 249 P CB 0.672 32.282 31.700 -0.151 0.000 0.898 250 V N 3.314 123.357 119.914 0.215 0.000 2.588 250 V HA 0.483 4.602 4.120 -0.000 0.000 0.304 250 V C -1.240 175.020 176.094 0.278 0.000 1.042 250 V CA -1.050 61.386 62.300 0.228 0.000 0.877 250 V CB 1.016 32.922 31.823 0.139 0.000 0.996 250 V HN 0.328 nan 8.190 nan 0.000 0.425 251 F N 7.084 127.093 119.950 0.100 0.000 2.472 251 F HA 0.524 5.050 4.527 -0.000 0.000 0.364 251 F C 0.296 176.082 175.800 -0.024 0.000 1.090 251 F CA -0.189 57.804 58.000 -0.011 0.000 1.188 251 F CB 0.189 39.170 39.000 -0.031 0.000 1.105 251 F HN 0.607 nan 8.300 nan 0.000 0.536 252 C N 7.262 126.352 119.300 -0.350 0.000 2.264 252 C HA 0.460 4.919 4.460 -0.000 0.000 0.324 252 C C 0.036 174.887 174.990 -0.232 0.000 1.267 252 C CA -1.173 57.741 59.018 -0.174 0.000 1.618 252 C CB -0.023 27.634 27.740 -0.139 0.000 2.278 252 C HN 0.871 nan 8.230 nan 0.000 0.499 253 R N 2.388 122.888 120.500 -0.000 0.000 2.570 253 R HA 0.578 4.918 4.340 -0.000 0.000 0.277 253 R C 0.165 176.451 176.300 -0.023 0.000 1.039 253 R CA 0.351 56.477 56.100 0.043 0.000 1.065 253 R CB 0.284 30.654 30.300 0.117 0.000 0.964 253 R HN 0.937 nan 8.270 nan 0.000 0.428 254 G N 1.229 110.010 108.800 -0.032 0.000 2.495 254 G HA2 0.383 4.343 3.960 -0.000 0.000 0.294 254 G HA3 0.383 4.343 3.960 -0.000 0.000 0.294 254 G C -1.868 173.004 174.900 -0.047 0.000 1.397 254 G CA -0.929 44.150 45.100 -0.035 0.000 0.790 254 G HN 0.790 nan 8.290 nan 0.000 0.486 255 E N -0.831 119.330 120.200 -0.065 0.000 2.372 255 E HA 0.693 5.043 4.350 -0.000 0.000 0.279 255 E C -1.223 175.261 176.600 -0.194 0.000 0.946 255 E CA -1.166 55.125 56.400 -0.182 0.000 0.769 255 E CB 2.864 32.453 29.700 -0.185 0.000 1.230 255 E HN 0.517 nan 8.360 nan 0.000 0.442 256 R N 2.907 123.206 120.500 -0.335 0.000 2.539 256 R HA 0.309 4.649 4.340 -0.000 0.000 0.295 256 R C -1.811 174.301 176.300 -0.313 0.000 1.138 256 R CA -0.547 55.435 56.100 -0.196 0.000 0.936 256 R CB 0.802 31.052 30.300 -0.083 0.000 1.182 256 R HN 0.470 nan 8.270 nan 0.000 0.459 257 F N 4.902 124.835 119.950 -0.028 0.000 2.394 257 F HA 0.463 4.990 4.527 -0.000 0.000 0.340 257 F C 0.596 176.360 175.800 -0.060 0.000 1.105 257 F CA -0.523 57.452 58.000 -0.042 0.000 1.124 257 F CB 1.377 40.360 39.000 -0.027 0.000 1.145 257 F HN 0.296 nan 8.300 nan 0.000 0.505 258 I N 3.722 124.341 120.570 0.081 0.000 2.537 258 I HA 0.195 4.365 4.170 -0.000 0.000 0.276 258 I C -0.126 176.007 176.117 0.026 0.000 1.063 258 I CA -0.681 60.623 61.300 0.007 0.000 1.144 258 I CB 0.978 38.911 38.000 -0.111 0.000 1.252 258 I HN 0.510 nan 8.210 nan 0.000 0.480 259 K N 3.934 124.358 120.400 0.039 0.000 2.436 259 K HA 0.090 4.410 4.320 -0.000 0.000 0.275 259 K C 0.109 176.712 176.600 0.004 0.000 0.999 259 K CA 0.542 56.840 56.287 0.019 0.000 0.980 259 K CB 0.577 33.083 32.500 0.009 0.000 0.919 259 K HN 0.428 nan 8.250 nan 0.000 0.484 260 E N 3.054 123.250 120.200 -0.006 0.000 3.152 260 E HA 0.090 4.439 4.350 -0.000 0.000 0.320 260 E C -0.644 175.945 176.600 -0.018 0.000 1.108 260 E CA -0.134 56.259 56.400 -0.012 0.000 1.032 260 E CB -0.613 29.072 29.700 -0.025 0.000 1.351 260 E HN 0.605 nan 8.360 nan 0.000 0.391 261 N N -0.102 118.590 118.700 -0.013 0.000 2.493 261 N HA -0.185 4.555 4.740 -0.000 0.000 0.191 261 N C 1.427 176.928 175.510 -0.014 0.000 1.041 261 N CA 1.800 54.840 53.050 -0.016 0.000 0.904 261 N CB -0.024 38.456 38.487 -0.013 0.000 0.948 261 N HN 0.648 nan 8.380 nan 0.000 0.446 262 T N -1.839 112.709 114.554 -0.010 0.000 2.978 262 T HA 0.067 4.417 4.350 -0.000 0.000 0.262 262 T C 1.103 175.798 174.700 -0.008 0.000 1.063 262 T CA -0.053 62.045 62.100 -0.003 0.000 1.140 262 T CB -0.155 68.719 68.868 0.010 0.000 0.886 262 T HN 0.032 nan 8.240 nan 0.000 0.470 263 L N 2.738 123.942 121.223 -0.031 0.000 2.540 263 L HA 0.146 4.486 4.340 -0.000 0.000 0.276 263 L C -1.265 175.582 176.870 -0.039 0.000 1.212 263 L CA -1.341 53.462 54.840 -0.061 0.000 0.893 263 L CB 0.754 42.720 42.059 -0.155 0.000 1.138 263 L HN 0.139 nan 8.230 nan 0.000 0.491 264 P HA -0.027 nan 4.420 nan 0.000 0.222 264 P C 0.162 177.449 177.300 -0.021 0.000 1.153 264 P CA 0.635 63.730 63.100 -0.008 0.000 0.798 264 P CB 0.180 31.890 31.700 0.018 0.000 0.796 265 T N -4.077 110.461 114.554 -0.027 0.000 2.885 265 T HA 0.579 4.929 4.350 -0.000 0.000 0.285 265 T C -0.370 174.273 174.700 -0.097 0.000 1.019 265 T CA -0.584 61.474 62.100 -0.070 0.000 1.010 265 T CB 1.432 70.255 68.868 -0.074 0.000 1.022 265 T HN -0.320 nan 8.240 nan 0.000 0.466 266 T N 2.418 116.876 114.554 -0.160 0.000 2.823 266 T HA 0.442 4.792 4.350 -0.000 0.000 0.279 266 T C -0.779 173.761 174.700 -0.266 0.000 0.998 266 T CA -0.635 61.405 62.100 -0.101 0.000 0.994 266 T CB 0.470 69.305 68.868 -0.056 0.000 0.960 266 T HN 0.649 nan 8.240 nan 0.000 0.448 267 H N 2.886 121.895 119.070 -0.101 0.000 2.539 267 H HA 0.505 5.061 4.556 -0.000 0.000 0.332 267 H C -0.796 174.496 175.328 -0.061 0.000 1.031 267 H CA -0.572 55.423 56.048 -0.088 0.000 1.206 267 H CB 1.440 31.230 29.762 0.047 0.000 1.446 267 H HN 0.331 nan 8.280 nan 0.000 0.496 268 I N 1.955 122.500 120.570 -0.040 0.000 2.646 268 I HA 0.532 4.702 4.170 -0.000 0.000 0.299 268 I C -0.238 175.931 176.117 0.087 0.000 1.036 268 I CA -0.622 60.682 61.300 0.008 0.000 1.074 268 I CB 2.149 40.138 38.000 -0.018 0.000 1.258 268 I HN 0.619 nan 8.210 nan 0.000 0.430 269 A N 6.275 129.178 122.820 0.138 0.000 2.398 269 A HA 0.912 5.232 4.320 -0.000 0.000 0.301 269 A C -1.020 176.739 177.584 0.291 0.000 1.041 269 A CA -0.363 51.844 52.037 0.284 0.000 0.711 269 A CB 0.895 19.972 19.000 0.129 0.000 1.240 269 A HN 0.622 nan 8.150 nan 0.000 0.420 270 I N 1.991 122.808 120.570 0.410 0.000 2.447 270 I HA 0.624 4.794 4.170 -0.000 0.000 0.287 270 I C 0.246 176.646 176.117 0.473 0.000 1.023 270 I CA -0.281 61.234 61.300 0.359 0.000 1.083 270 I CB 1.971 40.139 38.000 0.280 0.000 1.245 270 I HN 0.786 nan 8.210 nan 0.000 0.434 271 A N 6.625 129.722 122.820 0.462 0.000 2.479 271 A HA 0.998 5.318 4.320 -0.000 0.000 0.296 271 A C -1.380 176.447 177.584 0.404 0.000 1.121 271 A CA -0.479 51.848 52.037 0.484 0.000 0.743 271 A CB 1.738 21.132 19.000 0.658 0.000 1.323 271 A HN 0.543 nan 8.150 nan 0.000 0.415 272 L N -0.214 121.135 121.223 0.211 0.000 2.376 272 L HA 0.486 4.826 4.340 -0.000 0.000 0.258 272 L C 0.097 176.660 176.870 -0.511 0.000 1.013 272 L CA -0.527 54.164 54.840 -0.249 0.000 0.822 272 L CB 1.980 43.864 42.059 -0.292 0.000 1.388 272 L HN 0.899 nan 8.230 nan 0.000 0.413 273 E N 0.351 119.771 120.200 -1.300 0.000 2.498 273 E HA 0.277 4.627 4.350 -0.000 0.000 0.252 273 E C 0.386 176.808 176.600 -0.297 0.000 1.025 273 E CA 0.498 56.438 56.400 -0.767 0.000 0.938 273 E CB 0.576 29.833 29.700 -0.738 0.000 0.947 273 E HN 0.647 nan 8.360 nan 0.000 0.478 274 G N 3.300 112.100 108.800 -0.001 0.000 2.928 274 G HA2 0.332 4.292 3.960 -0.000 0.000 0.163 274 G HA3 0.332 4.292 3.960 -0.000 0.000 0.163 274 G C -0.628 174.343 174.900 0.119 0.000 1.573 274 G CA -0.213 44.959 45.100 0.121 0.000 1.084 274 G HN 0.532 nan 8.290 nan 0.000 0.569 275 V N -0.593 119.421 119.914 0.167 0.000 3.040 275 V HA 0.647 4.767 4.120 -0.000 0.000 0.312 275 V C -0.132 176.014 176.094 0.086 0.000 1.115 275 V CA -0.303 62.095 62.300 0.163 0.000 0.998 275 V CB 2.279 34.242 31.823 0.232 0.000 1.042 275 V HN 1.076 nan 8.190 nan 0.000 0.433 276 S N 2.343 118.091 115.700 0.081 0.000 2.638 276 S HA 0.365 4.835 4.470 -0.000 0.000 0.298 276 S C 0.536 175.129 174.600 -0.011 0.000 1.111 276 S CA -0.465 57.725 58.200 -0.017 0.000 1.027 276 S CB 1.003 64.236 63.200 0.055 0.000 1.064 276 S HN 0.771 nan 8.310 nan 0.000 0.525 277 W N 1.498 122.737 121.300 -0.101 0.000 2.262 277 W HA -0.290 4.370 4.660 -0.000 0.000 0.331 277 W C 2.694 178.976 176.519 -0.395 0.000 1.315 277 W CA 1.648 58.764 57.345 -0.381 0.000 1.302 277 W CB -0.627 28.697 29.460 -0.226 0.000 1.128 277 W HN 0.895 nan 8.180 nan 0.000 0.482 278 S N -0.597 115.160 115.700 0.094 0.000 2.593 278 S HA 0.414 4.884 4.470 -0.000 0.000 0.217 278 S C 0.880 175.519 174.600 0.066 0.000 0.966 278 S CA 0.004 58.234 58.200 0.051 0.000 0.914 278 S CB -0.672 62.572 63.200 0.073 0.000 0.776 278 S HN 0.234 nan 8.310 nan 0.000 0.523 279 A N 2.959 125.830 122.820 0.085 0.000 2.520 279 A HA 0.376 4.696 4.320 -0.000 0.000 0.235 279 A C -1.004 176.664 177.584 0.139 0.000 1.065 279 A CA -0.984 51.124 52.037 0.119 0.000 0.764 279 A CB -0.147 18.945 19.000 0.153 0.000 1.002 279 A HN 0.258 nan 8.150 nan 0.000 0.502 280 P HA -0.075 nan 4.420 nan 0.000 0.221 280 P C 0.299 177.703 177.300 0.174 0.000 1.150 280 P CA 1.393 64.578 63.100 0.143 0.000 0.800 280 P CB 0.126 31.886 31.700 0.100 0.000 0.787 281 D N -2.561 117.944 120.400 0.176 0.000 2.368 281 D HA -0.058 4.582 4.640 -0.000 0.000 0.218 281 D C 1.487 177.829 176.300 0.070 0.000 1.112 281 D CA -0.495 53.603 54.000 0.164 0.000 0.834 281 D CB -1.012 39.969 40.800 0.302 0.000 0.953 281 D HN 0.136 nan 8.370 nan 0.000 0.505 282 Y N 1.605 121.871 120.300 -0.057 0.000 2.040 282 Y HA -0.300 4.250 4.550 -0.000 0.000 0.275 282 Y C 1.426 177.139 175.900 -0.311 0.000 1.171 282 Y CA 1.877 59.836 58.100 -0.235 0.000 1.123 282 Y CB -0.589 37.612 38.460 -0.432 0.000 0.963 282 Y HN -0.107 nan 8.280 nan 0.000 0.493 283 F N -1.249 118.624 119.950 -0.128 0.000 2.259 283 F HA -0.123 4.404 4.527 -0.000 0.000 0.298 283 F C 2.389 178.007 175.800 -0.303 0.000 1.088 283 F CA 1.140 58.986 58.000 -0.257 0.000 1.358 283 F CB -0.995 37.971 39.000 -0.056 0.000 1.040 283 F HN -0.109 nan 8.300 nan 0.000 0.505 284 V N -0.021 119.821 119.914 -0.120 0.000 2.515 284 V HA -0.272 3.848 4.120 -0.000 0.000 0.250 284 V C 2.531 178.204 176.094 -0.701 0.000 1.058 284 V CA 1.650 63.776 62.300 -0.290 0.000 1.064 284 V CB -1.174 30.523 31.823 -0.210 0.000 0.675 284 V HN 0.363 nan 8.190 nan 0.000 0.461 285 A N -0.219 122.040 122.820 -0.936 0.000 1.898 285 A HA -0.098 4.222 4.320 -0.000 0.000 0.216 285 A C 2.170 179.433 177.584 -0.535 0.000 1.181 285 A CA 1.443 52.691 52.037 -1.315 0.000 0.620 285 A CB -0.462 18.067 19.000 -0.785 0.000 0.819 285 A HN 0.483 nan 8.150 nan 0.000 0.442 286 L N -0.801 120.166 121.223 -0.428 0.000 2.191 286 L HA -0.194 4.146 4.340 -0.000 0.000 0.212 286 L C 3.026 179.797 176.870 -0.166 0.000 1.103 286 L CA 0.934 55.611 54.840 -0.271 0.000 0.769 286 L CB -0.579 41.282 42.059 -0.330 0.000 0.908 286 L HN 0.479 nan 8.230 nan 0.000 0.438 287 A N -0.167 122.540 122.820 -0.188 0.000 1.872 287 A HA -0.157 4.163 4.320 -0.000 0.000 0.214 287 A C 2.344 179.879 177.584 -0.081 0.000 1.187 287 A CA 2.080 54.047 52.037 -0.115 0.000 0.614 287 A CB -0.810 18.120 19.000 -0.116 0.000 0.826 287 A HN 0.349 nan 8.150 nan 0.000 0.442 288 T N -0.186 114.285 114.554 -0.138 0.000 2.833 288 T HA -0.185 4.164 4.350 -0.000 0.000 0.269 288 T C 2.026 176.841 174.700 0.191 0.000 1.054 288 T CA 1.510 63.625 62.100 0.024 0.000 1.135 288 T CB -0.252 68.573 68.868 -0.071 0.000 0.869 288 T HN 0.651 nan 8.240 nan 0.000 0.466 289 Q N 0.960 120.838 119.800 0.131 0.000 2.050 289 Q HA -0.123 4.217 4.340 -0.000 0.000 0.202 289 Q C 2.538 178.527 176.000 -0.018 0.000 0.980 289 Q CA 1.601 57.368 55.803 -0.058 0.000 0.840 289 Q CB -0.351 28.257 28.738 -0.216 0.000 0.898 289 Q HN 0.536 nan 8.270 nan 0.000 0.424 290 A N 0.910 123.725 122.820 -0.008 0.000 1.978 290 A HA -0.159 4.161 4.320 -0.000 0.000 0.220 290 A C 2.008 179.621 177.584 0.048 0.000 1.170 290 A CA 1.220 53.265 52.037 0.014 0.000 0.636 290 A CB -0.626 18.373 19.000 -0.002 0.000 0.810 290 A HN 0.526 nan 8.150 nan 0.000 0.448 291 I N -0.575 120.032 120.570 0.061 0.000 2.315 291 I HA -0.189 3.981 4.170 -0.000 0.000 0.248 291 I C 2.277 178.463 176.117 0.114 0.000 1.117 291 I CA 1.095 62.444 61.300 0.082 0.000 1.404 291 I CB -0.207 37.845 38.000 0.087 0.000 1.071 291 I HN 0.174 nan 8.210 nan 0.000 0.419 292 V N 0.523 120.523 119.914 0.143 0.000 2.379 292 V HA 0.002 4.122 4.120 -0.000 0.000 0.245 292 V C 1.437 177.630 176.094 0.165 0.000 1.044 292 V CA 1.248 63.642 62.300 0.157 0.000 1.036 292 V CB -1.278 30.669 31.823 0.205 0.000 0.664 292 V HN 0.706 nan 8.190 nan 0.000 0.453 293 G N 0.691 109.580 108.800 0.149 0.000 2.645 293 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.239 293 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.239 293 G C -0.413 174.675 174.900 0.313 0.000 1.331 293 G CA 0.107 45.317 45.100 0.183 0.000 0.890 293 G HN 0.477 nan 8.290 nan 0.000 0.572 294 N N -1.314 117.542 118.700 0.259 0.000 2.653 294 N HA 0.754 5.494 4.740 -0.000 0.000 0.294 294 N C -1.169 174.322 175.510 -0.030 0.000 1.305 294 N CA -0.017 53.148 53.050 0.192 0.000 0.827 294 N CB 1.979 40.523 38.487 0.094 0.000 1.415 294 N HN 1.006 nan 8.380 nan 0.000 0.546 295 W N 0.281 121.198 121.300 -0.638 0.000 3.818 295 W HA 0.297 4.957 4.660 -0.000 0.000 0.283 295 W C -2.035 174.200 176.519 -0.474 0.000 1.265 295 W CA -0.417 56.524 57.345 -0.673 0.000 1.226 295 W CB 1.117 29.881 29.460 -1.159 0.000 1.281 295 W HN 0.499 nan 8.180 nan 0.000 0.539 296 D N 3.131 122.815 120.400 -1.194 0.000 2.646 296 D HA 0.322 4.962 4.640 -0.000 0.000 0.245 296 D C 0.991 176.234 176.300 -1.761 0.000 1.099 296 D CA -0.535 52.784 54.000 -1.136 0.000 0.849 296 D CB 1.869 42.334 40.800 -0.559 0.000 1.448 296 D HN 0.474 nan 8.370 nan 0.000 0.489 297 R N 2.687 122.267 120.500 -1.533 0.000 2.159 297 R HA -0.125 4.215 4.340 -0.000 0.000 0.237 297 R C 1.123 177.151 176.300 -0.453 0.000 1.131 297 R CA 1.815 57.317 56.100 -0.997 0.000 0.982 297 R CB 0.013 30.078 30.300 -0.391 0.000 0.868 297 R HN 0.496 nan 8.270 nan 0.000 0.453 298 A N 0.362 122.942 122.820 -0.400 0.000 1.887 298 A HA 0.075 4.395 4.320 -0.000 0.000 0.210 298 A C 1.847 179.310 177.584 -0.202 0.000 1.221 298 A CA 0.248 52.153 52.037 -0.221 0.000 0.635 298 A CB 0.064 18.965 19.000 -0.164 0.000 0.881 298 A HN 0.187 nan 8.150 nan 0.000 0.456 299 I N -0.848 119.570 120.570 -0.253 0.000 2.584 299 I HA 0.173 4.343 4.170 -0.000 0.000 0.255 299 I C 1.664 177.677 176.117 -0.174 0.000 1.145 299 I CA 1.497 62.686 61.300 -0.185 0.000 1.462 299 I CB -1.795 36.103 38.000 -0.169 0.000 1.102 299 I HN 0.534 nan 8.210 nan 0.000 0.433 300 G N 1.286 109.908 108.800 -0.297 0.000 2.501 300 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.213 300 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.213 300 G C 0.594 175.429 174.900 -0.107 0.000 1.158 300 G CA 0.465 45.479 45.100 -0.143 0.000 1.079 300 G HN 0.250 nan 8.290 nan 0.000 0.586 301 T N -2.285 112.301 114.554 0.054 0.000 2.985 301 T HA 0.490 4.840 4.350 -0.000 0.000 0.254 301 T C 2.367 177.087 174.700 0.033 0.000 1.021 301 T CA 1.693 63.841 62.100 0.080 0.000 0.957 301 T CB 0.684 69.645 68.868 0.155 0.000 1.047 301 T HN 2.809 nan 8.240 nan 0.000 0.511 302 G N 1.005 109.813 108.800 0.013 0.000 2.148 302 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.254 302 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.254 302 G C 0.105 175.020 174.900 0.024 0.000 0.981 302 G CA 0.388 45.493 45.100 0.008 0.000 0.670 302 G HN 0.772 nan 8.290 nan 0.000 0.528 303 T N -0.880 113.697 114.554 0.039 0.000 2.908 303 T HA 0.486 4.836 4.350 -0.000 0.000 0.290 303 T C 1.070 175.793 174.700 0.040 0.000 1.034 303 T CA 0.152 62.276 62.100 0.041 0.000 1.010 303 T CB 1.690 70.591 68.868 0.055 0.000 1.068 303 T HN 0.182 nan 8.240 nan 0.000 0.481 304 N N 1.013 119.733 118.700 0.033 0.000 2.270 304 N HA -0.038 4.702 4.740 -0.000 0.000 0.181 304 N C -0.026 175.506 175.510 0.036 0.000 1.016 304 N CA 0.627 53.696 53.050 0.030 0.000 0.870 304 N CB 0.342 38.843 38.487 0.025 0.000 0.979 304 N HN 0.371 nan 8.380 nan 0.000 0.431 305 S N 0.927 116.651 115.700 0.040 0.000 2.596 305 S HA 0.465 4.935 4.470 -0.000 0.000 0.318 305 S C -2.671 171.961 174.600 0.053 0.000 1.097 305 S CA -1.086 57.138 58.200 0.041 0.000 1.080 305 S CB 1.995 65.215 63.200 0.033 0.000 0.991 305 S HN 0.142 nan 8.310 nan 0.000 0.471 306 P HA 0.315 nan 4.420 nan 0.000 0.282 306 P C -0.134 177.198 177.300 0.053 0.000 1.249 306 P CA -0.579 62.565 63.100 0.074 0.000 0.806 306 P CB 0.715 32.467 31.700 0.086 0.000 0.984 307 S N 2.584 118.321 115.700 0.062 0.000 2.608 307 S HA 0.219 4.689 4.470 -0.000 0.000 0.261 307 S C -1.662 172.941 174.600 0.005 0.000 1.314 307 S CA -0.726 57.499 58.200 0.041 0.000 0.992 307 S CB -0.178 63.059 63.200 0.061 0.000 0.935 307 S HN 0.222 nan 8.310 nan 0.000 0.564 308 P HA -0.065 nan 4.420 nan 0.000 0.216 308 P C 1.667 178.921 177.300 -0.077 0.000 1.150 308 P CA 0.487 63.565 63.100 -0.037 0.000 0.837 308 P CB -0.049 31.633 31.700 -0.030 0.000 0.786 309 L N -0.131 121.041 121.223 -0.085 0.000 2.017 309 L HA -0.104 4.236 4.340 -0.000 0.000 0.208 309 L C 2.214 178.988 176.870 -0.161 0.000 1.073 309 L CA 2.207 56.956 54.840 -0.152 0.000 0.745 309 L CB -1.564 40.369 42.059 -0.211 0.000 0.894 309 L HN -0.114 nan 8.230 nan 0.000 0.432 310 A N -0.957 121.818 122.820 -0.074 0.000 1.908 310 A HA -0.158 4.162 4.320 -0.000 0.000 0.218 310 A C 2.275 179.633 177.584 -0.376 0.000 1.181 310 A CA 2.145 54.043 52.037 -0.231 0.000 0.627 310 A CB -1.183 17.828 19.000 0.019 0.000 0.818 310 A HN 0.348 nan 8.150 nan 0.000 0.445 311 V N -0.320 119.491 119.914 -0.171 0.000 2.307 311 V HA -0.217 3.903 4.120 -0.000 0.000 0.245 311 V C 3.070 179.060 176.094 -0.173 0.000 1.045 311 V CA 1.921 64.147 62.300 -0.123 0.000 1.024 311 V CB -1.198 30.591 31.823 -0.057 0.000 0.651 311 V HN 0.624 nan 8.190 nan 0.000 0.449 312 A N 0.075 122.785 122.820 -0.184 0.000 1.902 312 A HA -0.151 4.169 4.320 -0.000 0.000 0.217 312 A C 2.445 179.872 177.584 -0.261 0.000 1.181 312 A CA 2.127 54.057 52.037 -0.178 0.000 0.623 312 A CB -0.911 17.995 19.000 -0.158 0.000 0.818 312 A HN 0.592 nan 8.150 nan 0.000 0.443 313 A N 0.191 122.747 122.820 -0.440 0.000 1.948 313 A HA -0.160 4.160 4.320 -0.000 0.000 0.220 313 A C 2.451 179.664 177.584 -0.618 0.000 1.177 313 A CA 2.615 54.246 52.037 -0.678 0.000 0.636 313 A CB -0.818 17.436 19.000 -1.243 0.000 0.815 313 A HN 1.098 nan 8.150 nan 0.000 0.449 314 S N -1.300 114.124 115.700 -0.460 0.000 2.503 314 S HA 0.110 4.580 4.470 -0.000 0.000 0.217 314 S C 0.914 175.531 174.600 0.029 0.000 0.999 314 S CA -0.145 58.053 58.200 -0.003 0.000 0.914 314 S CB -0.223 63.109 63.200 0.220 0.000 0.782 314 S HN 0.653 nan 8.310 nan 0.000 0.520 315 Q N 2.617 122.393 119.800 -0.039 0.000 2.492 315 Q HA 0.138 4.478 4.340 -0.000 0.000 0.238 315 Q C -0.131 175.873 176.000 0.007 0.000 1.045 315 Q CA 0.049 55.846 55.803 -0.010 0.000 0.934 315 Q CB 0.106 28.825 28.738 -0.031 0.000 1.276 315 Q HN 0.693 nan 8.270 nan 0.000 0.521 316 N N 0.277 118.985 118.700 0.013 0.000 2.777 316 N HA -0.314 4.426 4.740 -0.000 0.000 0.290 316 N C 0.453 175.985 175.510 0.036 0.000 1.040 316 N CA 0.749 53.811 53.050 0.019 0.000 0.819 316 N CB -1.396 37.095 38.487 0.007 0.000 0.952 316 N HN 1.023 nan 8.380 nan 0.000 0.584 317 G N -0.361 108.471 108.800 0.053 0.000 2.284 317 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.247 317 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.247 317 G C 0.064 175.046 174.900 0.136 0.000 1.012 317 G CA 1.183 46.327 45.100 0.074 0.000 0.618 317 G HN 2.543 nan 8.290 nan 0.000 0.521 318 S N -2.358 113.427 115.700 0.142 0.000 2.922 318 S HA -0.022 4.448 4.470 -0.000 0.000 0.854 318 S C 0.235 174.934 174.600 0.166 0.000 0.921 318 S CA 0.474 58.794 58.200 0.200 0.000 1.418 318 S CB -1.121 62.288 63.200 0.349 0.000 1.015 318 S HN 1.365 nan 8.310 nan 0.000 0.230 319 L N 1.678 122.876 121.223 -0.042 0.000 2.640 319 L HA 0.701 5.040 4.340 -0.000 0.000 0.230 319 L C 1.064 177.581 176.870 -0.590 0.000 1.123 319 L CA 0.643 55.383 54.840 -0.166 0.000 0.900 319 L CB -0.056 41.907 42.059 -0.161 0.000 1.146 319 L HN 1.205 nan 8.230 nan 0.000 0.484 320 A N -1.066 121.315 122.820 -0.731 0.000 2.452 320 A HA 0.329 4.649 4.320 -0.000 0.000 0.294 320 A C -0.468 177.060 177.584 -0.093 0.000 1.010 320 A CA -0.577 51.006 52.037 -0.756 0.000 0.613 320 A CB 0.390 19.253 19.000 -0.229 0.000 1.363 320 A HN -0.107 nan 8.150 nan 0.000 0.463 321 N N 0.134 118.820 118.700 -0.023 0.000 2.305 321 N HA 0.140 4.880 4.740 -0.000 0.000 0.179 321 N C 0.483 175.916 175.510 -0.128 0.000 1.019 321 N CA 1.662 54.708 53.050 -0.006 0.000 0.869 321 N CB 0.141 38.614 38.487 -0.023 0.000 1.000 321 N HN 1.245 nan 8.380 nan 0.000 0.431 322 S N -1.051 114.630 115.700 -0.033 0.000 2.565 322 S HA 0.508 4.978 4.470 -0.000 0.000 0.274 322 S C -1.719 172.935 174.600 0.089 0.000 1.144 322 S CA -1.027 57.139 58.200 -0.057 0.000 0.849 322 S CB 1.041 64.156 63.200 -0.143 0.000 1.103 322 S HN 0.214 nan 8.310 nan 0.000 0.455 323 Y N 0.022 120.425 120.300 0.172 0.000 2.524 323 Y HA 0.864 5.414 4.550 -0.000 0.000 0.347 323 Y C -0.907 175.087 175.900 0.157 0.000 1.005 323 Y CA -1.664 56.495 58.100 0.099 0.000 1.025 323 Y CB 1.634 40.139 38.460 0.074 0.000 1.275 323 Y HN 1.041 nan 8.280 nan 0.000 0.460 324 M N 3.364 123.256 119.600 0.487 0.000 2.238 324 M HA 0.533 5.012 4.480 -0.000 0.000 0.278 324 M C -1.658 174.869 176.300 0.379 0.000 1.040 324 M CA -0.328 55.228 55.300 0.428 0.000 0.969 324 M CB 1.999 34.846 32.600 0.411 0.000 1.694 324 M HN 0.826 nan 8.290 nan 0.000 0.472 325 S N 4.506 120.340 115.700 0.224 0.000 2.564 325 S HA 0.608 5.078 4.470 -0.000 0.000 0.278 325 S C -0.810 173.789 174.600 -0.002 0.000 1.333 325 S CA -0.236 57.948 58.200 -0.028 0.000 1.048 325 S CB 0.224 63.348 63.200 -0.127 0.000 0.900 325 S HN 0.498 nan 8.310 nan 0.000 0.505 326 F N -0.316 119.547 119.950 -0.145 0.000 2.599 326 F HA 0.821 5.348 4.527 -0.000 0.000 0.311 326 F C -0.393 175.236 175.800 -0.285 0.000 1.076 326 F CA -1.238 56.677 58.000 -0.142 0.000 0.937 326 F CB 1.574 40.566 39.000 -0.012 0.000 1.282 326 F HN 0.379 nan 8.300 nan 0.000 0.460 327 S N 1.640 117.401 115.700 0.101 0.000 2.511 327 S HA 0.443 4.913 4.470 -0.000 0.000 0.233 327 S C -1.257 173.357 174.600 0.024 0.000 1.104 327 S CA -0.271 57.954 58.200 0.042 0.000 1.129 327 S CB 0.428 63.572 63.200 -0.092 0.000 1.159 327 S HN 0.903 nan 8.310 nan 0.000 0.451 328 T N 3.645 118.220 114.554 0.036 0.000 2.889 328 T HA 0.604 4.954 4.350 -0.000 0.000 0.291 328 T C -0.246 174.205 174.700 -0.415 0.000 0.995 328 T CA -0.143 61.828 62.100 -0.216 0.000 1.092 328 T CB 1.336 70.072 68.868 -0.221 0.000 0.954 328 T HN 0.496 nan 8.240 nan 0.000 0.506 329 S N 1.192 116.401 115.700 -0.819 0.000 2.568 329 S HA 0.767 5.237 4.470 -0.000 0.000 0.293 329 S C -1.580 172.089 174.600 -1.552 0.000 1.089 329 S CA -0.627 56.887 58.200 -1.143 0.000 0.945 329 S CB 0.951 63.316 63.200 -1.391 0.000 1.077 329 S HN 0.572 nan 8.310 nan 0.000 0.485 330 Y N -0.411 119.475 120.300 -0.690 0.000 2.669 330 Y HA 0.611 5.161 4.550 -0.000 0.000 0.335 330 Y C 1.008 176.820 175.900 -0.147 0.000 1.116 330 Y CA -0.988 56.946 58.100 -0.276 0.000 1.081 330 Y CB 0.715 39.139 38.460 -0.059 0.000 1.297 330 Y HN 0.683 nan 8.280 nan 0.000 0.484 331 A N -0.059 123.012 122.820 0.419 0.000 1.969 331 A HA -0.129 4.191 4.320 -0.000 0.000 0.218 331 A C 0.902 178.601 177.584 0.190 0.000 1.169 331 A CA 2.212 54.465 52.037 0.361 0.000 0.635 331 A CB -0.675 18.505 19.000 0.300 0.000 0.810 331 A HN 0.790 nan 8.150 nan 0.000 0.445 332 D N -2.651 117.841 120.400 0.153 0.000 2.469 332 D HA 0.371 5.011 4.640 -0.000 0.000 0.215 332 D C 0.371 176.740 176.300 0.115 0.000 1.154 332 D CA 0.574 54.637 54.000 0.105 0.000 0.832 332 D CB 0.261 41.100 40.800 0.064 0.000 1.008 332 D HN 0.182 nan 8.370 nan 0.000 0.506 333 S N -1.786 114.008 115.700 0.157 0.000 2.724 333 S HA 0.786 5.256 4.470 -0.000 0.000 0.278 333 S C -1.407 173.325 174.600 0.219 0.000 1.190 333 S CA -0.251 58.080 58.200 0.218 0.000 0.860 333 S CB 1.237 64.601 63.200 0.275 0.000 1.206 333 S HN 0.497 nan 8.310 nan 0.000 0.507 334 G N 0.429 109.409 108.800 0.299 0.000 2.519 334 G HA2 0.533 4.493 3.960 -0.000 0.000 0.292 334 G HA3 0.533 4.493 3.960 -0.000 0.000 0.292 334 G C -2.397 172.670 174.900 0.277 0.000 1.507 334 G CA -0.640 44.572 45.100 0.188 0.000 0.806 334 G HN 0.690 nan 8.290 nan 0.000 0.523 335 L N -0.016 121.359 121.223 0.253 0.000 2.365 335 L HA 0.738 5.078 4.340 -0.000 0.000 0.273 335 L C -1.291 175.855 176.870 0.460 0.000 1.000 335 L CA -0.701 54.365 54.840 0.377 0.000 0.819 335 L CB 2.693 44.972 42.059 0.368 0.000 1.284 335 L HN 0.699 nan 8.230 nan 0.000 0.418 336 W N 3.050 124.448 121.300 0.162 0.000 2.900 336 W HA 0.665 5.325 4.660 -0.000 0.000 0.336 336 W C -0.268 176.034 176.519 -0.363 0.000 1.064 336 W CA -0.023 57.268 57.345 -0.089 0.000 1.237 336 W CB 1.998 31.440 29.460 -0.030 0.000 1.391 336 W HN 0.619 nan 8.180 nan 0.000 0.468 337 G N 3.340 111.426 108.800 -1.189 0.000 2.435 337 G HA2 0.465 4.425 3.960 -0.000 0.000 0.296 337 G HA3 0.465 4.425 3.960 -0.000 0.000 0.296 337 G C -2.075 172.257 174.900 -0.948 0.000 1.240 337 G CA -0.979 43.601 45.100 -0.867 0.000 0.872 337 G HN 0.501 nan 8.290 nan 0.000 0.480 338 M N -0.112 119.400 119.600 -0.146 0.000 2.530 338 M HA 0.785 5.264 4.480 -0.000 0.000 0.307 338 M C -2.058 174.536 176.300 0.491 0.000 1.161 338 M CA -1.098 54.278 55.300 0.126 0.000 0.903 338 M CB 2.095 34.739 32.600 0.073 0.000 1.711 338 M HN 0.660 nan 8.290 nan 0.000 0.451 339 Y N 5.093 125.631 120.300 0.397 0.000 2.326 339 Y HA 0.763 5.313 4.550 -0.000 0.000 0.331 339 Y C -1.676 174.352 175.900 0.214 0.000 0.962 339 Y CA -1.227 57.074 58.100 0.334 0.000 1.167 339 Y CB 0.848 39.547 38.460 0.399 0.000 1.148 339 Y HN 0.694 nan 8.280 nan 0.000 0.463 340 I N 6.178 126.535 120.570 -0.355 0.000 2.648 340 I HA 0.623 4.793 4.170 -0.000 0.000 0.304 340 I C -1.025 174.746 176.117 -0.577 0.000 1.009 340 I CA -1.361 59.739 61.300 -0.332 0.000 1.114 340 I CB 2.015 39.925 38.000 -0.151 0.000 1.293 340 I HN 0.294 nan 8.210 nan 0.000 0.449 341 V N 2.857 122.528 119.914 -0.405 0.000 2.524 341 V HA 0.444 4.564 4.120 -0.000 0.000 0.297 341 V C -0.039 175.910 176.094 -0.241 0.000 1.035 341 V CA -0.451 61.584 62.300 -0.442 0.000 0.867 341 V CB 1.734 33.313 31.823 -0.405 0.000 1.004 341 V HN 0.935 nan 8.190 nan 0.000 0.426 342 T N -0.063 114.371 114.554 -0.201 0.000 2.942 342 T HA 0.496 4.846 4.350 -0.000 0.000 0.289 342 T C -0.728 174.025 174.700 0.088 0.000 1.044 342 T CA -0.691 61.409 62.100 -0.000 0.000 1.023 342 T CB 2.162 71.041 68.868 0.018 0.000 1.123 342 T HN 0.542 nan 8.240 nan 0.000 0.512 343 D N 0.774 121.379 120.400 0.342 0.000 2.317 343 D HA 0.212 4.852 4.640 -0.000 0.000 0.252 343 D C 0.883 177.181 176.300 -0.003 0.000 1.174 343 D CA -0.160 53.872 54.000 0.053 0.000 0.866 343 D CB 1.372 42.087 40.800 -0.141 0.000 1.127 343 D HN 0.565 nan 8.370 nan 0.000 0.467 344 S N 3.268 118.951 115.700 -0.029 0.000 2.469 344 S HA -0.089 4.380 4.470 -0.000 0.000 0.238 344 S C 1.227 175.800 174.600 -0.045 0.000 0.998 344 S CA 0.620 58.800 58.200 -0.032 0.000 0.957 344 S CB 0.107 63.285 63.200 -0.036 0.000 0.764 344 S HN 0.559 nan 8.310 nan 0.000 0.514 345 N N -0.167 118.492 118.700 -0.068 0.000 2.197 345 N HA 0.146 4.886 4.740 -0.000 0.000 0.201 345 N C 1.077 176.520 175.510 -0.112 0.000 1.148 345 N CA 0.282 53.287 53.050 -0.075 0.000 0.883 345 N CB 0.539 38.987 38.487 -0.064 0.000 1.012 345 N HN 0.203 nan 8.380 nan 0.000 0.507 346 E N -0.131 119.953 120.200 -0.193 0.000 2.391 346 E HA 0.168 4.518 4.350 -0.000 0.000 0.206 346 E C -0.368 176.060 176.600 -0.287 0.000 0.851 346 E CA 0.494 56.719 56.400 -0.291 0.000 1.059 346 E CB 0.343 29.768 29.700 -0.458 0.000 1.065 346 E HN 0.365 nan 8.360 nan 0.000 0.512 347 H N -0.037 119.018 119.070 -0.026 0.000 2.467 347 H HA 0.328 4.884 4.556 -0.000 0.000 0.331 347 H C -0.146 175.159 175.328 -0.038 0.000 1.120 347 H CA -0.686 55.346 56.048 -0.028 0.000 1.270 347 H CB 0.840 30.586 29.762 -0.025 0.000 1.466 347 H HN -0.103 nan 8.280 nan 0.000 0.504 348 N N 3.327 122.089 118.700 0.103 0.000 2.469 348 N HA -0.011 4.729 4.740 -0.000 0.000 0.239 348 N C 0.754 176.265 175.510 0.002 0.000 1.053 348 N CA 0.008 53.071 53.050 0.022 0.000 0.937 348 N CB 0.906 39.392 38.487 -0.001 0.000 1.163 348 N HN 0.412 nan 8.380 nan 0.000 0.509 349 V N 4.467 124.373 119.914 -0.013 0.000 2.453 349 V HA -0.243 3.877 4.120 -0.000 0.000 0.252 349 V C 2.554 178.608 176.094 -0.066 0.000 1.068 349 V CA 1.737 64.014 62.300 -0.039 0.000 1.070 349 V CB -0.595 31.210 31.823 -0.030 0.000 0.664 349 V HN 0.670 nan 8.190 nan 0.000 0.461 350 R N -0.258 120.190 120.500 -0.087 0.000 2.096 350 R HA -0.122 4.217 4.340 -0.000 0.000 0.235 350 R C 2.252 178.513 176.300 -0.064 0.000 1.127 350 R CA 1.407 57.435 56.100 -0.120 0.000 0.968 350 R CB -0.219 29.970 30.300 -0.185 0.000 0.861 350 R HN 0.471 nan 8.270 nan 0.000 0.440 351 L N 0.146 121.337 121.223 -0.053 0.000 2.017 351 L HA -0.197 4.143 4.340 -0.000 0.000 0.208 351 L C 2.463 179.286 176.870 -0.079 0.000 1.073 351 L CA 0.918 55.729 54.840 -0.048 0.000 0.745 351 L CB -0.449 41.589 42.059 -0.035 0.000 0.894 351 L HN 0.280 nan 8.230 nan 0.000 0.432 352 I N -0.617 119.893 120.570 -0.099 0.000 2.315 352 I HA -0.182 3.988 4.170 -0.000 0.000 0.248 352 I C 2.244 178.265 176.117 -0.160 0.000 1.117 352 I CA 1.273 62.489 61.300 -0.140 0.000 1.404 352 I CB -0.085 37.829 38.000 -0.144 0.000 1.071 352 I HN -0.122 nan 8.210 nan 0.000 0.419 353 V N 1.607 121.448 119.914 -0.121 0.000 2.407 353 V HA -0.282 3.838 4.120 -0.000 0.000 0.248 353 V C 2.352 178.372 176.094 -0.124 0.000 1.055 353 V CA 2.008 64.233 62.300 -0.124 0.000 1.049 353 V CB -1.100 30.698 31.823 -0.043 0.000 0.662 353 V HN 0.477 nan 8.190 nan 0.000 0.455 354 N N 0.042 118.706 118.700 -0.060 0.000 2.084 354 N HA -0.158 4.582 4.740 -0.000 0.000 0.190 354 N C 1.833 177.265 175.510 -0.131 0.000 1.030 354 N CA 1.317 54.339 53.050 -0.046 0.000 0.849 354 N CB -0.325 38.160 38.487 -0.002 0.000 1.012 354 N HN 0.471 nan 8.380 nan 0.000 0.423 355 E N 0.920 121.022 120.200 -0.163 0.000 2.110 355 E HA -0.083 4.267 4.350 -0.000 0.000 0.193 355 E C 2.220 178.636 176.600 -0.307 0.000 0.988 355 E CA 0.433 56.711 56.400 -0.204 0.000 0.804 355 E CB -0.247 29.328 29.700 -0.209 0.000 0.745 355 E HN 0.459 nan 8.360 nan 0.000 0.458 356 I N 0.750 121.072 120.570 -0.414 0.000 2.202 356 I HA -0.254 3.916 4.170 -0.000 0.000 0.242 356 I C 2.453 178.102 176.117 -0.781 0.000 1.091 356 I CA 0.792 61.689 61.300 -0.672 0.000 1.368 356 I CB -0.235 37.318 38.000 -0.745 0.000 1.058 356 I HN 0.047 nan 8.210 nan 0.000 0.410 357 L N 0.562 121.475 121.223 -0.516 0.000 2.046 357 L HA -0.232 4.108 4.340 -0.000 0.000 0.208 357 L C 2.614 179.397 176.870 -0.145 0.000 1.077 357 L CA 1.417 56.075 54.840 -0.302 0.000 0.747 357 L CB -0.645 41.341 42.059 -0.121 0.000 0.896 357 L HN 0.246 nan 8.230 nan 0.000 0.432 358 K N 0.414 120.724 120.400 -0.150 0.000 2.152 358 K HA -0.264 4.056 4.320 -0.000 0.000 0.206 358 K C 2.006 178.571 176.600 -0.059 0.000 1.048 358 K CA 1.701 57.937 56.287 -0.084 0.000 0.933 358 K CB 0.125 32.569 32.500 -0.092 0.000 0.721 358 K HN 0.127 nan 8.250 nan 0.000 0.447 359 E N -0.386 119.738 120.200 -0.126 0.000 2.158 359 E HA -0.141 4.209 4.350 -0.000 0.000 0.191 359 E C 1.459 178.150 176.600 0.151 0.000 0.982 359 E CA 1.108 57.481 56.400 -0.045 0.000 0.823 359 E CB -0.107 29.509 29.700 -0.139 0.000 0.766 359 E HN 0.333 nan 8.360 nan 0.000 0.468 360 W N 1.399 122.706 121.300 0.012 0.000 2.381 360 W HA 0.007 4.667 4.660 -0.000 0.000 0.301 360 W C 1.859 178.389 176.519 0.018 0.000 1.205 360 W CA 0.929 58.305 57.345 0.052 0.000 1.285 360 W CB -0.726 28.776 29.460 0.070 0.000 1.133 360 W HN 0.161 nan 8.180 nan 0.000 0.521 361 K N 0.108 120.642 120.400 0.224 0.000 2.103 361 K HA -0.196 4.124 4.320 -0.000 0.000 0.207 361 K C 2.067 178.718 176.600 0.085 0.000 1.048 361 K CA 1.533 57.887 56.287 0.113 0.000 0.930 361 K CB -0.443 32.093 32.500 0.060 0.000 0.716 361 K HN 0.062 nan 8.250 nan 0.000 0.444 362 R N 1.472 122.022 120.500 0.083 0.000 2.091 362 R HA -0.119 4.221 4.340 -0.000 0.000 0.238 362 R C 2.202 178.547 176.300 0.075 0.000 1.136 362 R CA 1.290 57.427 56.100 0.061 0.000 0.959 362 R CB -0.211 30.119 30.300 0.049 0.000 0.856 362 R HN 0.147 nan 8.270 nan 0.000 0.437 363 I N 0.775 121.414 120.570 0.115 0.000 2.179 363 I HA -0.272 3.897 4.170 -0.000 0.000 0.242 363 I C 2.319 178.481 176.117 0.075 0.000 1.088 363 I CA 1.422 62.788 61.300 0.109 0.000 1.357 363 I CB -0.291 37.803 38.000 0.157 0.000 1.051 363 I HN 0.203 nan 8.210 nan 0.000 0.409 364 K N 0.663 121.104 120.400 0.068 0.000 2.103 364 K HA -0.172 4.148 4.320 -0.000 0.000 0.207 364 K C 2.113 178.727 176.600 0.022 0.000 1.048 364 K CA 1.889 58.193 56.287 0.029 0.000 0.930 364 K CB -0.200 32.309 32.500 0.015 0.000 0.716 364 K HN 0.391 nan 8.250 nan 0.000 0.444 365 S N -0.970 114.748 115.700 0.029 0.000 2.603 365 S HA 0.069 4.539 4.470 -0.000 0.000 0.220 365 S C 1.408 176.019 174.600 0.020 0.000 0.967 365 S CA 0.654 58.865 58.200 0.019 0.000 0.920 365 S CB 0.307 63.517 63.200 0.017 0.000 0.773 365 S HN 0.471 nan 8.310 nan 0.000 0.529 366 G N 1.109 109.925 108.800 0.028 0.000 2.225 366 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.254 366 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.254 366 G C 0.320 175.235 174.900 0.026 0.000 0.988 366 G CA 0.235 45.350 45.100 0.026 0.000 0.625 366 G HN 0.508 nan 8.290 nan 0.000 0.527 367 K N 1.434 121.850 120.400 0.026 0.000 3.271 367 K HA 0.386 4.706 4.320 -0.000 0.000 0.281 367 K C 0.848 177.466 176.600 0.029 0.000 1.000 367 K CA 0.576 56.877 56.287 0.023 0.000 1.087 367 K CB -0.909 31.603 32.500 0.019 0.000 1.214 367 K HN 0.781 nan 8.250 nan 0.000 0.313 368 I N -2.889 117.699 120.570 0.031 0.000 2.689 368 I HA 0.506 4.676 4.170 -0.000 0.000 0.299 368 I C -0.025 176.107 176.117 0.026 0.000 1.059 368 I CA -1.068 60.252 61.300 0.034 0.000 1.055 368 I CB 2.295 40.322 38.000 0.044 0.000 1.243 368 I HN 0.026 nan 8.210 nan 0.000 0.425 369 S N 2.398 118.112 115.700 0.024 0.000 2.652 369 S HA 0.292 4.762 4.470 -0.000 0.000 0.270 369 S C 0.417 175.028 174.600 0.017 0.000 1.243 369 S CA -0.452 57.760 58.200 0.019 0.000 0.999 369 S CB 1.569 64.779 63.200 0.018 0.000 0.973 369 S HN 0.717 nan 8.310 nan 0.000 0.544 370 D N 1.526 121.934 120.400 0.014 0.000 2.123 370 D HA -0.074 4.566 4.640 -0.000 0.000 0.196 370 D C 2.253 178.559 176.300 0.010 0.000 0.992 370 D CA 1.827 55.834 54.000 0.011 0.000 0.833 370 D CB -0.927 39.878 40.800 0.009 0.000 0.954 370 D HN 0.719 nan 8.370 nan 0.000 0.455 371 A N 1.576 124.404 122.820 0.012 0.000 1.892 371 A HA -0.254 4.065 4.320 -0.000 0.000 0.218 371 A C 2.053 179.647 177.584 0.015 0.000 1.188 371 A CA 2.192 54.237 52.037 0.013 0.000 0.631 371 A CB -0.714 18.294 19.000 0.015 0.000 0.822 371 A HN 0.500 nan 8.150 nan 0.000 0.447 372 E N -0.564 119.648 120.200 0.020 0.000 2.285 372 E HA -0.015 4.334 4.350 -0.000 0.000 0.194 372 E C 1.589 178.202 176.600 0.020 0.000 0.997 372 E CA 1.016 57.431 56.400 0.024 0.000 0.845 372 E CB -0.329 29.390 29.700 0.033 0.000 0.782 372 E HN 0.306 nan 8.360 nan 0.000 0.491 373 V N 2.037 121.960 119.914 0.015 0.000 2.323 373 V HA -0.246 3.873 4.120 -0.000 0.000 0.244 373 V C 1.846 177.937 176.094 -0.005 0.000 1.041 373 V CA 2.226 64.529 62.300 0.006 0.000 1.025 373 V CB -0.797 31.029 31.823 0.004 0.000 0.656 373 V HN 0.329 nan 8.190 nan 0.000 0.451 374 N N -0.372 118.325 118.700 -0.004 0.000 2.149 374 N HA -0.195 4.544 4.740 -0.000 0.000 0.188 374 N C 2.084 177.589 175.510 -0.009 0.000 1.019 374 N CA 1.119 54.163 53.050 -0.010 0.000 0.857 374 N CB -0.164 38.321 38.487 -0.003 0.000 0.997 374 N HN 0.327 nan 8.380 nan 0.000 0.426 375 R N 0.719 121.220 120.500 0.002 0.000 2.073 375 R HA -0.066 4.273 4.340 -0.000 0.000 0.234 375 R C 2.256 178.557 176.300 0.002 0.000 1.134 375 R CA 1.339 57.443 56.100 0.007 0.000 0.952 375 R CB -0.271 30.040 30.300 0.018 0.000 0.850 375 R HN 0.213 nan 8.270 nan 0.000 0.433 376 A N 1.416 124.238 122.820 0.002 0.000 1.883 376 A HA -0.197 4.123 4.320 -0.000 0.000 0.217 376 A C 1.980 179.548 177.584 -0.026 0.000 1.186 376 A CA 1.543 53.578 52.037 -0.003 0.000 0.624 376 A CB -0.364 18.637 19.000 0.001 0.000 0.822 376 A HN 0.265 nan 8.150 nan 0.000 0.444 377 K N -0.428 119.946 120.400 -0.042 0.000 2.103 377 K HA -0.125 4.194 4.320 -0.000 0.000 0.207 377 K C 2.286 178.832 176.600 -0.089 0.000 1.048 377 K CA 1.190 57.430 56.287 -0.079 0.000 0.930 377 K CB -0.332 32.110 32.500 -0.096 0.000 0.716 377 K HN 0.474 nan 8.250 nan 0.000 0.444 378 A N 1.276 124.063 122.820 -0.055 0.000 1.898 378 A HA -0.216 4.104 4.320 -0.000 0.000 0.216 378 A C 2.147 179.719 177.584 -0.019 0.000 1.181 378 A CA 1.303 53.318 52.037 -0.037 0.000 0.620 378 A CB -0.458 18.536 19.000 -0.010 0.000 0.819 378 A HN 0.331 nan 8.150 nan 0.000 0.442 379 Q N -0.958 118.836 119.800 -0.010 0.000 2.020 379 Q HA -0.197 4.143 4.340 -0.000 0.000 0.202 379 Q C 2.031 178.031 176.000 -0.000 0.000 0.982 379 Q CA 1.771 57.576 55.803 0.003 0.000 0.838 379 Q CB -0.264 28.480 28.738 0.009 0.000 0.899 379 Q HN 0.510 nan 8.270 nan 0.000 0.423 380 L N 1.283 122.498 121.223 -0.014 0.000 2.012 380 L HA -0.206 4.134 4.340 -0.000 0.000 0.210 380 L C 1.947 178.810 176.870 -0.011 0.000 1.073 380 L CA 1.950 56.784 54.840 -0.010 0.000 0.748 380 L CB -0.539 41.505 42.059 -0.025 0.000 0.891 380 L HN 0.117 nan 8.230 nan 0.000 0.431 381 K N -0.780 119.585 120.400 -0.058 0.000 2.063 381 K HA -0.137 4.182 4.320 -0.000 0.000 0.208 381 K C 2.037 178.646 176.600 0.014 0.000 1.048 381 K CA 1.427 57.672 56.287 -0.070 0.000 0.928 381 K CB -0.360 32.038 32.500 -0.171 0.000 0.713 381 K HN 0.494 nan 8.250 nan 0.000 0.442 382 A N 1.433 124.266 122.820 0.022 0.000 1.898 382 A HA -0.098 4.221 4.320 -0.000 0.000 0.216 382 A C 2.361 179.970 177.584 0.042 0.000 1.181 382 A CA 1.779 53.840 52.037 0.041 0.000 0.620 382 A CB -0.640 18.380 19.000 0.033 0.000 0.819 382 A HN 0.339 nan 8.150 nan 0.000 0.442 383 A N -0.551 122.291 122.820 0.036 0.000 1.972 383 A HA -0.015 4.304 4.320 -0.000 0.000 0.219 383 A C 2.095 179.716 177.584 0.061 0.000 1.169 383 A CA 1.577 53.640 52.037 0.043 0.000 0.635 383 A CB -0.465 18.558 19.000 0.039 0.000 0.810 383 A HN 0.476 nan 8.150 nan 0.000 0.446 384 L N -1.657 119.611 121.223 0.075 0.000 2.354 384 L HA 0.107 4.447 4.340 -0.000 0.000 0.212 384 L C 2.104 179.028 176.870 0.090 0.000 1.091 384 L CA 0.416 55.319 54.840 0.105 0.000 0.828 384 L CB -0.065 42.084 42.059 0.150 0.000 0.973 384 L HN 0.322 nan 8.230 nan 0.000 0.461 385 L N -1.712 119.559 121.223 0.080 0.000 2.526 385 L HA 0.080 4.420 4.340 -0.000 0.000 0.210 385 L C 2.059 178.965 176.870 0.060 0.000 1.048 385 L CA 0.134 55.022 54.840 0.080 0.000 0.852 385 L CB -0.127 42.002 42.059 0.117 0.000 1.128 385 L HN 0.062 nan 8.230 nan 0.000 0.482 386 L N 0.364 121.622 121.223 0.058 0.000 2.275 386 L HA -0.107 4.232 4.340 -0.000 0.000 0.215 386 L C 2.545 179.434 176.870 0.031 0.000 1.119 386 L CA 1.258 56.123 54.840 0.042 0.000 0.790 386 L CB -0.464 41.619 42.059 0.041 0.000 0.919 386 L HN 0.362 nan 8.230 nan 0.000 0.443 387 S N -0.571 115.149 115.700 0.034 0.000 2.527 387 S HA 0.039 4.508 4.470 -0.000 0.000 0.222 387 S C 1.051 175.663 174.600 0.020 0.000 0.985 387 S CA 0.010 58.225 58.200 0.025 0.000 0.921 387 S CB -0.387 62.831 63.200 0.029 0.000 0.772 387 S HN 0.331 nan 8.310 nan 0.000 0.529 388 L N 2.379 123.616 121.223 0.023 0.000 2.391 388 L HA 0.312 4.651 4.340 -0.000 0.000 0.249 388 L C 1.093 177.967 176.870 0.006 0.000 1.308 388 L CA -0.306 54.543 54.840 0.014 0.000 1.209 388 L CB -0.122 41.948 42.059 0.018 0.000 1.401 388 L HN 0.178 nan 8.230 nan 0.000 0.416 389 D N 1.106 121.508 120.400 0.003 0.000 2.527 389 D HA 0.049 4.689 4.640 -0.000 0.000 0.249 389 D C 1.145 177.441 176.300 -0.007 0.000 1.029 389 D CA 0.627 54.626 54.000 -0.002 0.000 0.951 389 D CB 0.433 41.233 40.800 0.000 0.000 1.093 389 D HN 0.363 nan 8.370 nan 0.000 0.464 390 G N -0.048 108.749 108.800 -0.005 0.000 2.634 390 G HA2 0.217 4.177 3.960 -0.000 0.000 0.255 390 G HA3 0.217 4.177 3.960 -0.000 0.000 0.255 390 G C 1.172 176.068 174.900 -0.006 0.000 1.205 390 G CA 0.547 45.644 45.100 -0.005 0.000 0.884 390 G HN 0.234 nan 8.290 nan 0.000 0.549 391 S N -0.431 115.268 115.700 -0.002 0.000 2.382 391 S HA -0.156 4.314 4.470 -0.000 0.000 0.228 391 S C 2.129 176.735 174.600 0.010 0.000 1.027 391 S CA 1.992 60.193 58.200 0.002 0.000 0.991 391 S CB -0.633 62.573 63.200 0.011 0.000 0.823 391 S HN 0.508 nan 8.310 nan 0.000 0.469 392 T N 2.809 117.370 114.554 0.012 0.000 2.708 392 T HA 0.067 4.417 4.350 -0.000 0.000 0.266 392 T C 2.247 176.924 174.700 -0.039 0.000 1.037 392 T CA 1.481 63.572 62.100 -0.015 0.000 1.146 392 T CB -0.902 67.960 68.868 -0.009 0.000 0.865 392 T HN 0.643 nan 8.240 nan 0.000 0.435 393 A N 0.949 123.755 122.820 -0.024 0.000 1.933 393 A HA -0.016 4.304 4.320 -0.000 0.000 0.218 393 A C 2.279 179.854 177.584 -0.016 0.000 1.175 393 A CA 1.190 53.214 52.037 -0.021 0.000 0.628 393 A CB -0.755 18.238 19.000 -0.011 0.000 0.814 393 A HN 0.546 nan 8.150 nan 0.000 0.444 394 I N -0.945 119.617 120.570 -0.013 0.000 2.353 394 I HA -0.154 4.015 4.170 -0.000 0.000 0.248 394 I C 2.303 178.404 176.117 -0.026 0.000 1.119 394 I CA 0.703 61.993 61.300 -0.017 0.000 1.417 394 I CB -0.234 37.759 38.000 -0.013 0.000 1.078 394 I HN 0.143 nan 8.210 nan 0.000 0.421 395 V N 0.990 120.900 119.914 -0.007 0.000 2.295 395 V HA -0.290 3.830 4.120 -0.000 0.000 0.246 395 V C 2.547 178.637 176.094 -0.006 0.000 1.049 395 V CA 2.198 64.504 62.300 0.010 0.000 1.024 395 V CB -0.534 31.338 31.823 0.080 0.000 0.648 395 V HN 0.438 nan 8.190 nan 0.000 0.447 396 E N 0.571 120.796 120.200 0.042 0.000 2.147 396 E HA -0.300 4.050 4.350 -0.000 0.000 0.199 396 E C 1.732 178.303 176.600 -0.048 0.000 1.005 396 E CA 2.157 58.614 56.400 0.095 0.000 0.810 396 E CB -0.368 29.356 29.700 0.040 0.000 0.736 396 E HN 0.699 nan 8.360 nan 0.000 0.460 397 D N -0.859 119.491 120.400 -0.083 0.000 2.120 397 D HA -0.046 4.594 4.640 -0.000 0.000 0.202 397 D C 1.939 178.116 176.300 -0.205 0.000 0.972 397 D CA 1.400 55.328 54.000 -0.120 0.000 0.837 397 D CB -0.113 40.650 40.800 -0.063 0.000 0.989 397 D HN 0.299 nan 8.370 nan 0.000 0.469 398 I N 0.511 120.960 120.570 -0.201 0.000 2.076 398 I HA -0.186 3.983 4.170 -0.000 0.000 0.237 398 I C 2.562 178.422 176.117 -0.427 0.000 1.059 398 I CA 1.483 62.641 61.300 -0.238 0.000 1.317 398 I CB -0.875 37.021 38.000 -0.173 0.000 1.037 398 I HN 0.148 nan 8.210 nan 0.000 0.398 399 G N 0.536 108.893 108.800 -0.739 0.000 2.586 399 G HA2 -0.330 3.629 3.960 -0.000 0.000 0.218 399 G HA3 -0.330 3.629 3.960 -0.000 0.000 0.218 399 G C 1.806 176.099 174.900 -1.012 0.000 1.216 399 G CA 0.974 45.141 45.100 -1.556 0.000 0.786 399 G HN 0.245 nan 8.290 nan 0.000 0.583 400 R N 0.081 120.188 120.500 -0.656 0.000 2.073 400 R HA -0.076 4.264 4.340 -0.000 0.000 0.234 400 R C 2.785 178.824 176.300 -0.435 0.000 1.134 400 R CA 1.819 57.709 56.100 -0.350 0.000 0.952 400 R CB -0.459 29.692 30.300 -0.248 0.000 0.850 400 R HN 0.512 nan 8.270 nan 0.000 0.433 401 Q N -0.343 119.208 119.800 -0.415 0.000 2.050 401 Q HA -0.138 4.202 4.340 -0.000 0.000 0.202 401 Q C 2.171 177.998 176.000 -0.288 0.000 0.980 401 Q CA 1.863 57.439 55.803 -0.379 0.000 0.840 401 Q CB 0.064 28.645 28.738 -0.262 0.000 0.898 401 Q HN 0.209 nan 8.270 nan 0.000 0.424 402 V N -0.157 119.603 119.914 -0.256 0.000 2.244 402 V HA -0.185 3.935 4.120 -0.000 0.000 0.244 402 V C 2.087 178.092 176.094 -0.149 0.000 1.042 402 V CA 1.368 63.560 62.300 -0.180 0.000 1.006 402 V CB -0.525 31.197 31.823 -0.170 0.000 0.641 402 V HN 0.200 nan 8.190 nan 0.000 0.446 403 V N 1.140 120.956 119.914 -0.164 0.000 3.140 403 V HA -0.166 3.954 4.120 -0.000 0.000 0.269 403 V C 2.022 178.090 176.094 -0.044 0.000 1.149 403 V CA 2.358 64.616 62.300 -0.070 0.000 1.162 403 V CB -0.539 31.284 31.823 0.000 0.000 0.756 403 V HN 0.898 nan 8.190 nan 0.000 0.523 404 T N -7.476 107.010 114.554 -0.114 0.000 3.016 404 T HA 0.134 4.484 4.350 -0.000 0.000 0.271 404 T C 1.165 175.833 174.700 -0.053 0.000 0.968 404 T CA 0.672 62.731 62.100 -0.068 0.000 0.891 404 T CB 0.830 69.571 68.868 -0.212 0.000 1.149 404 T HN 0.237 nan 8.240 nan 0.000 0.524 405 T N -0.137 114.358 114.554 -0.099 0.000 3.029 405 T HA 0.473 4.823 4.350 -0.000 0.000 0.256 405 T C 1.357 176.032 174.700 -0.042 0.000 0.914 405 T CA 0.719 62.783 62.100 -0.061 0.000 0.880 405 T CB 0.133 68.929 68.868 -0.120 0.000 1.246 405 T HN 0.768 nan 8.240 nan 0.000 0.523 406 G N 2.769 111.533 108.800 -0.059 0.000 2.141 406 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.242 406 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.242 406 G C -0.039 174.834 174.900 -0.045 0.000 0.982 406 G CA 0.747 45.822 45.100 -0.041 0.000 0.662 406 G HN 0.786 nan 8.290 nan 0.000 0.527 407 K N -2.383 117.978 120.400 -0.065 0.000 2.680 407 K HA 0.761 5.080 4.320 -0.000 0.000 0.295 407 K C -1.250 175.303 176.600 -0.077 0.000 1.052 407 K CA -1.362 54.891 56.287 -0.056 0.000 0.863 407 K CB 1.056 33.538 32.500 -0.030 0.000 1.549 407 K HN 0.100 nan 8.250 nan 0.000 0.391 408 R N 1.537 122.002 120.500 -0.058 0.000 2.502 408 R HA 0.386 4.726 4.340 -0.000 0.000 0.300 408 R C -1.228 175.060 176.300 -0.022 0.000 0.984 408 R CA -0.649 55.415 56.100 -0.060 0.000 0.882 408 R CB 1.144 31.403 30.300 -0.069 0.000 1.180 408 R HN 0.706 nan 8.270 nan 0.000 0.444 409 L N 3.680 124.905 121.223 0.003 0.000 2.313 409 L HA 0.167 4.507 4.340 -0.000 0.000 0.282 409 L C 1.133 178.021 176.870 0.030 0.000 1.092 409 L CA -0.141 54.722 54.840 0.038 0.000 0.831 409 L CB 1.136 43.255 42.059 0.100 0.000 1.159 409 L HN 0.679 nan 8.230 nan 0.000 0.442 410 S N 3.540 119.251 115.700 0.019 0.000 2.580 410 S HA 0.168 4.638 4.470 -0.000 0.000 0.266 410 S C -1.741 172.878 174.600 0.031 0.000 1.354 410 S CA -0.985 57.224 58.200 0.016 0.000 1.008 410 S CB 0.909 64.114 63.200 0.007 0.000 0.898 410 S HN 0.405 nan 8.310 nan 0.000 0.555 411 P HA -0.128 nan 4.420 nan 0.000 0.216 411 P C 1.236 178.577 177.300 0.068 0.000 1.157 411 P CA 1.486 64.616 63.100 0.051 0.000 0.880 411 P CB -0.027 31.694 31.700 0.034 0.000 0.791 412 E N -0.273 119.947 120.200 0.033 0.000 2.058 412 E HA -0.205 4.145 4.350 -0.000 0.000 0.194 412 E C 1.953 178.588 176.600 0.058 0.000 0.997 412 E CA 1.371 57.784 56.400 0.023 0.000 0.801 412 E CB -0.832 28.861 29.700 -0.012 0.000 0.746 412 E HN 0.439 nan 8.360 nan 0.000 0.450 413 E N -0.146 120.075 120.200 0.036 0.000 2.072 413 E HA -0.116 4.234 4.350 -0.000 0.000 0.191 413 E C 2.105 178.695 176.600 -0.017 0.000 0.985 413 E CA 1.164 57.577 56.400 0.022 0.000 0.801 413 E CB 0.010 29.724 29.700 0.023 0.000 0.750 413 E HN 0.079 nan 8.360 nan 0.000 0.452 414 V N 1.135 121.039 119.914 -0.016 0.000 2.407 414 V HA -0.242 3.878 4.120 -0.000 0.000 0.248 414 V C 2.010 177.994 176.094 -0.182 0.000 1.055 414 V CA 1.595 63.805 62.300 -0.149 0.000 1.049 414 V CB -0.528 31.292 31.823 -0.004 0.000 0.662 414 V HN 0.222 nan 8.190 nan 0.000 0.455 415 F N 1.534 121.399 119.950 -0.141 0.000 2.126 415 F HA -0.198 4.329 4.527 -0.000 0.000 0.299 415 F C 2.421 178.139 175.800 -0.137 0.000 1.096 415 F CA 2.215 60.144 58.000 -0.118 0.000 1.255 415 F CB -0.140 38.819 39.000 -0.067 0.000 0.997 415 F HN 0.190 nan 8.300 nan 0.000 0.479 416 E N 0.095 120.373 120.200 0.129 0.000 2.077 416 E HA -0.208 4.141 4.350 -0.000 0.000 0.193 416 E C 2.114 178.639 176.600 -0.124 0.000 0.989 416 E CA 1.444 57.871 56.400 0.045 0.000 0.800 416 E CB -0.388 29.341 29.700 0.048 0.000 0.746 416 E HN 0.344 nan 8.360 nan 0.000 0.452 417 Q N -0.106 119.548 119.800 -0.244 0.000 2.096 417 Q HA -0.109 4.231 4.340 -0.000 0.000 0.204 417 Q C 2.341 178.116 176.000 -0.375 0.000 0.982 417 Q CA 1.518 57.107 55.803 -0.356 0.000 0.850 417 Q CB -0.524 27.759 28.738 -0.758 0.000 0.901 417 Q HN 0.302 nan 8.270 nan 0.000 0.422 418 V N 0.789 120.420 119.914 -0.471 0.000 2.302 418 V HA -0.199 3.921 4.120 -0.000 0.000 0.243 418 V C 1.992 177.916 176.094 -0.284 0.000 1.036 418 V CA 1.815 63.904 62.300 -0.352 0.000 1.020 418 V CB -0.690 30.909 31.823 -0.375 0.000 0.657 418 V HN 0.288 nan 8.190 nan 0.000 0.453 419 D N 0.801 120.974 120.400 -0.379 0.000 2.203 419 D HA -0.262 4.378 4.640 -0.000 0.000 0.199 419 D C 2.088 178.311 176.300 -0.127 0.000 0.997 419 D CA 1.668 55.500 54.000 -0.281 0.000 0.863 419 D CB -0.100 40.544 40.800 -0.259 0.000 0.928 419 D HN 0.640 nan 8.370 nan 0.000 0.458 420 K N 0.009 120.348 120.400 -0.101 0.000 2.418 420 K HA 0.012 4.332 4.320 -0.000 0.000 0.195 420 K C 0.658 177.233 176.600 -0.041 0.000 1.035 420 K CA 0.026 56.283 56.287 -0.050 0.000 1.003 420 K CB -0.070 32.411 32.500 -0.030 0.000 0.793 420 K HN 0.186 nan 8.250 nan 0.000 0.494 421 I N 3.413 123.949 120.570 -0.057 0.000 2.815 421 I HA -0.081 4.089 4.170 -0.000 0.000 0.291 421 I C 0.723 176.822 176.117 -0.028 0.000 1.209 421 I CA 0.272 61.550 61.300 -0.037 0.000 1.431 421 I CB 0.581 38.551 38.000 -0.049 0.000 1.351 421 I HN 0.309 nan 8.210 nan 0.000 0.585 422 T N 1.885 116.432 114.554 -0.013 0.000 2.926 422 T HA 0.282 4.631 4.350 -0.000 0.000 0.289 422 T C 0.693 175.394 174.700 0.001 0.000 1.054 422 T CA -0.946 61.150 62.100 -0.006 0.000 1.015 422 T CB 2.173 71.041 68.868 0.001 0.000 1.167 422 T HN 0.663 nan 8.240 nan 0.000 0.526 423 K N 0.110 120.513 120.400 0.005 0.000 2.032 423 K HA -0.210 4.110 4.320 -0.000 0.000 0.209 423 K C 1.543 178.155 176.600 0.020 0.000 1.048 423 K CA 2.243 58.537 56.287 0.012 0.000 0.927 423 K CB -0.532 31.976 32.500 0.013 0.000 0.712 423 K HN 0.706 nan 8.250 nan 0.000 0.441 424 D N 0.866 121.276 120.400 0.017 0.000 2.123 424 D HA -0.161 4.479 4.640 -0.000 0.000 0.196 424 D C 1.539 177.857 176.300 0.031 0.000 0.992 424 D CA 1.261 55.274 54.000 0.021 0.000 0.833 424 D CB -0.137 40.672 40.800 0.013 0.000 0.954 424 D HN 0.214 nan 8.370 nan 0.000 0.455 425 D N -0.095 120.322 120.400 0.028 0.000 2.133 425 D HA -0.179 4.461 4.640 -0.000 0.000 0.192 425 D C 2.306 178.650 176.300 0.075 0.000 1.001 425 D CA 0.798 54.824 54.000 0.043 0.000 0.844 425 D CB -0.292 40.524 40.800 0.025 0.000 0.944 425 D HN 0.352 nan 8.370 nan 0.000 0.447 426 I N 0.911 121.511 120.570 0.051 0.000 2.179 426 I HA -0.241 3.929 4.170 -0.000 0.000 0.242 426 I C 2.504 178.694 176.117 0.121 0.000 1.088 426 I CA 0.762 62.104 61.300 0.069 0.000 1.357 426 I CB -0.201 37.817 38.000 0.030 0.000 1.051 426 I HN -0.028 nan 8.210 nan 0.000 0.409 427 I N -0.033 120.583 120.570 0.077 0.000 2.264 427 I HA -0.312 3.858 4.170 -0.000 0.000 0.248 427 I C 2.589 178.740 176.117 0.057 0.000 1.111 427 I CA 1.130 62.467 61.300 0.062 0.000 1.382 427 I CB -0.371 37.652 38.000 0.038 0.000 1.060 427 I HN 0.260 nan 8.210 nan 0.000 0.418 428 M N -0.510 119.129 119.600 0.064 0.000 2.067 428 M HA -0.230 4.250 4.480 -0.000 0.000 0.260 428 M C 2.253 178.586 176.300 0.054 0.000 1.069 428 M CA 1.829 57.154 55.300 0.042 0.000 1.117 428 M CB -1.432 31.187 32.600 0.031 0.000 1.334 428 M HN 0.423 nan 8.290 nan 0.000 0.407 429 W N 1.315 122.574 121.300 -0.068 0.000 2.321 429 W HA -0.240 4.419 4.660 -0.000 0.000 0.306 429 W C 2.508 178.920 176.519 -0.178 0.000 1.217 429 W CA 2.879 60.167 57.345 -0.095 0.000 1.257 429 W CB -0.275 29.106 29.460 -0.132 0.000 1.145 429 W HN 0.290 nan 8.180 nan 0.000 0.509 430 A N 0.264 123.132 122.820 0.080 0.000 1.902 430 A HA -0.255 4.065 4.320 -0.000 0.000 0.217 430 A C 1.930 179.345 177.584 -0.282 0.000 1.181 430 A CA 1.894 53.848 52.037 -0.138 0.000 0.623 430 A CB -1.069 17.939 19.000 0.014 0.000 0.818 430 A HN 0.472 nan 8.150 nan 0.000 0.443 431 N N -1.765 116.843 118.700 -0.154 0.000 2.244 431 N HA -0.145 4.595 4.740 -0.000 0.000 0.183 431 N C 1.642 177.049 175.510 -0.173 0.000 1.016 431 N CA 1.553 54.522 53.050 -0.135 0.000 0.866 431 N CB -0.303 38.148 38.487 -0.059 0.000 0.980 431 N HN 0.655 nan 8.380 nan 0.000 0.430 432 Y N 2.278 122.355 120.300 -0.370 0.000 2.184 432 Y HA -0.000 4.550 4.550 -0.000 0.000 0.290 432 Y C 2.095 177.681 175.900 -0.523 0.000 1.129 432 Y CA 1.433 59.292 58.100 -0.401 0.000 1.144 432 Y CB -0.037 38.175 38.460 -0.412 0.000 0.995 432 Y HN -0.123 nan 8.280 nan 0.000 0.513 433 R N 0.029 119.945 120.500 -0.973 0.000 2.200 433 R HA 0.157 4.497 4.340 -0.000 0.000 0.208 433 R C 1.141 176.943 176.300 -0.831 0.000 1.033 433 R CA 0.721 56.139 56.100 -1.138 0.000 1.000 433 R CB -0.203 29.105 30.300 -1.654 0.000 0.906 433 R HN 0.390 nan 8.270 nan 0.000 0.462 434 L N 0.662 121.489 121.223 -0.660 0.000 2.965 434 L HA 0.296 4.635 4.340 -0.000 0.000 0.254 434 L C -0.119 176.598 176.870 -0.255 0.000 1.220 434 L CA -0.237 54.334 54.840 -0.447 0.000 1.023 434 L CB 0.285 42.079 42.059 -0.442 0.000 1.355 434 L HN -0.120 nan 8.230 nan 0.000 0.545 435 Q N 1.234 120.872 119.800 -0.270 0.000 2.274 435 Q HA 0.327 4.667 4.340 -0.000 0.000 0.268 435 Q C -0.460 175.435 176.000 -0.174 0.000 1.015 435 Q CA -0.325 55.375 55.803 -0.171 0.000 0.775 435 Q CB 1.015 29.671 28.738 -0.137 0.000 1.256 435 Q HN 0.160 nan 8.270 nan 0.000 0.442 436 N N 3.026 121.652 118.700 -0.124 0.000 2.714 436 N HA -0.175 4.565 4.740 -0.000 0.000 0.253 436 N C -1.239 174.183 175.510 -0.146 0.000 1.024 436 N CA 0.989 53.974 53.050 -0.108 0.000 0.726 436 N CB -0.380 38.056 38.487 -0.086 0.000 0.908 436 N HN 0.558 nan 8.380 nan 0.000 0.542 437 K N -0.012 120.287 120.400 -0.169 0.000 2.477 437 K HA 0.495 4.814 4.320 -0.000 0.000 0.255 437 K C -2.348 174.166 176.600 -0.144 0.000 0.952 437 K CA -1.339 54.817 56.287 -0.217 0.000 0.826 437 K CB 2.715 34.993 32.500 -0.369 0.000 1.331 437 K HN -0.087 nan 8.250 nan 0.000 0.437 438 P HA 0.137 nan 4.420 nan 0.000 0.272 438 P C -0.541 176.812 177.300 0.088 0.000 1.223 438 P CA -0.380 62.742 63.100 0.036 0.000 0.784 438 P CB 0.853 32.639 31.700 0.143 0.000 0.923 439 V N -0.597 119.450 119.914 0.221 0.000 2.733 439 V HA 0.662 4.782 4.120 -0.000 0.000 0.306 439 V C -0.391 175.874 176.094 0.286 0.000 1.084 439 V CA -0.678 61.795 62.300 0.289 0.000 0.905 439 V CB 1.496 33.437 31.823 0.196 0.000 1.010 439 V HN 0.757 nan 8.190 nan 0.000 0.424 440 S N 6.495 122.381 115.700 0.310 0.000 2.638 440 S HA 0.914 5.384 4.470 -0.000 0.000 0.298 440 S C -0.475 174.186 174.600 0.102 0.000 1.111 440 S CA -0.744 57.503 58.200 0.079 0.000 1.027 440 S CB 2.011 65.115 63.200 -0.161 0.000 1.064 440 S HN 1.521 nan 8.310 nan 0.000 0.525 441 M N 1.617 121.220 119.600 0.005 0.000 2.578 441 M HA 0.602 5.082 4.480 -0.000 0.000 0.276 441 M C -2.441 173.773 176.300 -0.143 0.000 1.245 441 M CA -0.644 54.645 55.300 -0.019 0.000 0.871 441 M CB 2.010 34.593 32.600 -0.028 0.000 1.722 441 M HN 0.674 nan 8.290 nan 0.000 0.473 442 V N 1.927 121.765 119.914 -0.127 0.000 2.808 442 V HA 0.909 5.028 4.120 -0.000 0.000 0.308 442 V C -0.978 175.022 176.094 -0.157 0.000 1.099 442 V CA -0.654 61.537 62.300 -0.182 0.000 0.920 442 V CB 1.816 33.595 31.823 -0.074 0.000 1.014 442 V HN 0.978 nan 8.190 nan 0.000 0.425 443 A N 4.149 126.852 122.820 -0.195 0.000 2.393 443 A HA 0.968 5.287 4.320 -0.000 0.000 0.306 443 A C -1.671 175.901 177.584 -0.020 0.000 1.050 443 A CA -0.539 51.470 52.037 -0.046 0.000 0.724 443 A CB 1.760 20.809 19.000 0.082 0.000 1.248 443 A HN 1.100 nan 8.150 nan 0.000 0.424 444 L N 2.151 123.379 121.223 0.008 0.000 2.409 444 L HA 0.862 5.202 4.340 -0.000 0.000 0.272 444 L C 0.329 177.197 176.870 -0.005 0.000 0.980 444 L CA 1.334 56.162 54.840 -0.020 0.000 0.826 444 L CB 1.495 43.522 42.059 -0.054 0.000 1.268 444 L HN 2.127 nan 8.230 nan 0.000 0.407 445 G N 4.137 112.924 108.800 -0.022 0.000 2.395 445 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.201 445 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.201 445 G C -0.750 174.143 174.900 -0.013 0.000 1.206 445 G CA -0.137 44.944 45.100 -0.033 0.000 1.210 445 G HN 1.000 nan 8.290 nan 0.000 0.557 446 N N 1.245 119.935 118.700 -0.017 0.000 2.819 446 N HA 0.303 5.042 4.740 -0.000 0.000 0.284 446 N C 1.451 176.957 175.510 -0.007 0.000 1.196 446 N CA 1.307 54.347 53.050 -0.017 0.000 1.114 446 N CB 0.333 38.805 38.487 -0.024 0.000 1.437 446 N HN 0.651 nan 8.380 nan 0.000 0.518 447 T N 0.233 114.792 114.554 0.007 0.000 2.946 447 T HA -0.166 4.184 4.350 -0.000 0.000 0.271 447 T C 1.787 176.448 174.700 -0.064 0.000 1.104 447 T CA 1.821 63.938 62.100 0.029 0.000 1.114 447 T CB -0.276 68.632 68.868 0.066 0.000 0.867 447 T HN 0.637 nan 8.240 nan 0.000 0.513 448 S N -0.278 115.376 115.700 -0.076 0.000 2.440 448 S HA -0.129 4.341 4.470 -0.000 0.000 0.240 448 S C 1.967 176.503 174.600 -0.108 0.000 1.014 448 S CA 1.841 59.978 58.200 -0.104 0.000 0.980 448 S CB -0.843 62.312 63.200 -0.075 0.000 0.775 448 S HN 0.567 nan 8.310 nan 0.000 0.499 449 T N 0.517 115.024 114.554 -0.078 0.000 3.085 449 T HA 0.377 4.726 4.350 -0.000 0.000 0.264 449 T C -0.020 174.632 174.700 -0.080 0.000 1.019 449 T CA -0.339 61.714 62.100 -0.078 0.000 0.910 449 T CB -0.167 68.673 68.868 -0.048 0.000 1.059 449 T HN 0.173 nan 8.240 nan 0.000 0.542 450 V N 5.396 125.277 119.914 -0.054 0.000 2.406 450 V HA 0.424 4.544 4.120 -0.000 0.000 0.272 450 V C -1.824 174.262 176.094 -0.014 0.000 1.043 450 V CA -1.867 60.447 62.300 0.023 0.000 0.915 450 V CB 1.039 33.001 31.823 0.231 0.000 0.988 450 V HN 0.400 nan 8.190 nan 0.000 0.466 451 P HA 0.173 nan 4.420 nan 0.000 0.274 451 P C -0.567 176.816 177.300 0.137 0.000 1.237 451 P CA -0.363 62.623 63.100 -0.190 0.000 0.793 451 P CB 0.840 32.166 31.700 -0.622 0.000 0.977 452 N N 0.185 118.996 118.700 0.185 0.000 2.448 452 N HA 0.035 4.775 4.740 -0.000 0.000 0.274 452 N C 1.053 176.724 175.510 0.270 0.000 1.239 452 N CA -0.528 52.738 53.050 0.359 0.000 0.982 452 N CB 0.035 38.696 38.487 0.290 0.000 1.199 452 N HN 0.037 nan 8.380 nan 0.000 0.576 453 V N 0.588 120.632 119.914 0.216 0.000 2.287 453 V HA -0.257 3.863 4.120 -0.000 0.000 0.248 453 V C 2.726 178.918 176.094 0.163 0.000 1.053 453 V CA 2.685 65.084 62.300 0.165 0.000 1.027 453 V CB -1.194 30.700 31.823 0.117 0.000 0.646 453 V HN 0.905 nan 8.190 nan 0.000 0.447 454 S N -0.798 114.993 115.700 0.151 0.000 2.442 454 S HA -0.260 4.210 4.470 -0.000 0.000 0.236 454 S C 1.951 176.624 174.600 0.122 0.000 1.007 454 S CA 1.653 59.922 58.200 0.115 0.000 0.965 454 S CB -0.707 62.550 63.200 0.095 0.000 0.773 454 S HN 0.682 nan 8.310 nan 0.000 0.504 455 Y N 2.050 122.384 120.300 0.056 0.000 2.153 455 Y HA 0.088 4.638 4.550 -0.000 0.000 0.289 455 Y C 1.982 177.907 175.900 0.042 0.000 1.127 455 Y CA 1.268 59.394 58.100 0.042 0.000 1.131 455 Y CB -0.479 38.007 38.460 0.044 0.000 0.995 455 Y HN 0.217 nan 8.280 nan 0.000 0.505 456 I N 0.564 121.317 120.570 0.305 0.000 2.151 456 I HA -0.343 3.827 4.170 -0.000 0.000 0.243 456 I C 2.277 178.431 176.117 0.062 0.000 1.080 456 I CA 2.022 63.440 61.300 0.196 0.000 1.339 456 I CB -0.455 37.677 38.000 0.220 0.000 1.039 456 I HN 0.374 nan 8.210 nan 0.000 0.409 457 E N 0.271 120.510 120.200 0.065 0.000 2.110 457 E HA -0.285 4.065 4.350 -0.000 0.000 0.193 457 E C 2.026 178.611 176.600 -0.025 0.000 0.988 457 E CA 1.246 57.664 56.400 0.030 0.000 0.804 457 E CB -0.173 29.549 29.700 0.037 0.000 0.745 457 E HN 0.533 nan 8.360 nan 0.000 0.458 458 E N 1.175 121.335 120.200 -0.066 0.000 2.031 458 E HA -0.207 4.142 4.350 -0.000 0.000 0.193 458 E C 1.927 178.441 176.600 -0.143 0.000 0.994 458 E CA 1.066 57.400 56.400 -0.109 0.000 0.800 458 E CB 0.232 29.840 29.700 -0.152 0.000 0.752 458 E HN -0.055 nan 8.360 nan 0.000 0.447 459 K N 0.477 120.738 120.400 -0.232 0.000 2.097 459 K HA -0.150 4.170 4.320 -0.000 0.000 0.206 459 K C 2.208 178.760 176.600 -0.081 0.000 1.049 459 K CA 0.607 56.773 56.287 -0.203 0.000 0.933 459 K CB -0.577 31.744 32.500 -0.297 0.000 0.717 459 K HN 0.213 nan 8.250 nan 0.000 0.442 460 L N 2.095 123.301 121.223 -0.028 0.000 2.027 460 L HA -0.092 4.248 4.340 -0.000 0.000 0.206 460 L C 1.448 178.324 176.870 0.010 0.000 1.074 460 L CA 1.810 56.675 54.840 0.042 0.000 0.745 460 L CB -0.669 41.458 42.059 0.113 0.000 0.898 460 L HN 0.111 nan 8.230 nan 0.000 0.433 461 N N -0.421 118.269 118.700 -0.018 0.000 2.409 461 N HA -0.098 4.642 4.740 -0.000 0.000 0.179 461 N C 0.847 176.336 175.510 -0.036 0.000 1.032 461 N CA 0.207 53.238 53.050 -0.032 0.000 0.898 461 N CB -0.179 38.285 38.487 -0.039 0.000 0.971 461 N HN 0.566 nan 8.380 nan 0.000 0.441 462 Q N 0.000 119.773 119.800 -0.044 0.000 2.315 462 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 462 Q CA 0.000 55.775 55.803 -0.048 0.000 1.022 462 Q CB 0.000 28.698 28.738 -0.068 0.000 1.108 462 Q HN 0.000 nan 8.270 nan 0.000 0.481