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 3oja_1_A DATA FIRST_RESID 23 DATA SEQUENCE AIHEIKQNGN RYKIEKVTDS SLKQALASLR QSAWNVKELD LSGNPLSQIS DATA SEQUENCE AADLAPFTKL ELLNLSSNVL YETLDLESLS TLRTLDLNNN YVQELLVGPS DATA SEQUENCE IETLHAANNN ISRVScSRGQ GKKNIYLANN KITMLRDLDE GcRSRVQYLD DATA SEQUENCE LKLNEIDTVN FAELAASSDT LEHLNLQYNF IYDVKGQVVF AKLKTLDLSS DATA SEQUENCE NKLAFMGPEF QSAAGVTWIS LRNNKLVLIE KALRFSQNLE HFDLRGNGFH DATA SEQUENCE cGTLRDFFSK NQRVQTVAKQ TVKKLTGQNE EEcTVPTLGH YGAYccEDLP DATA SEQUENCE APFADRLIAL KRKEHALLSX XXXXTERLEC ERENQARQRE IDALKEQYRT DATA SEQUENCE VIDQVTLRKQ AKITLEQKKK ALDEQVSNGR RAHAELDGTL QQAVGQIELQ DATA SEQUENCE HATEEQSPLQ LLRAIVKRYE EMYVEQQSVQ NNAIRDWDMY QHKETQLAEE DATA SEQUENCE NARLKKLNGE ADLALASANA TLQELVVREQ NLASQLG 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 23 A HA 0.000 nan 4.320 nan 0.000 0.244 23 A C 0.000 177.473 177.584 -0.185 0.000 1.274 23 A CA 0.000 51.907 52.037 -0.217 0.000 0.836 23 A CB 0.000 18.838 19.000 -0.270 0.000 0.831 24 I N 1.961 122.478 120.570 -0.089 0.000 3.684 24 I HA 0.092 4.262 4.170 -0.000 0.000 0.304 24 I C 0.793 176.903 176.117 -0.011 0.000 1.278 24 I CA 0.101 61.378 61.300 -0.038 0.000 1.272 24 I CB -0.266 37.740 38.000 0.010 0.000 1.029 24 I HN 0.738 nan 8.210 nan 0.000 0.458 25 H N 0.296 119.372 119.070 0.010 0.000 2.481 25 H HA 0.471 5.027 4.556 -0.000 0.000 0.339 25 H C -1.107 174.228 175.328 0.012 0.000 1.131 25 H CA -0.683 55.371 56.048 0.010 0.000 1.301 25 H CB 1.078 30.847 29.762 0.011 0.000 1.476 25 H HN 0.158 nan 8.280 nan 0.000 0.529 26 E N 2.682 122.987 120.200 0.175 0.000 2.187 26 E HA 0.380 4.730 4.350 -0.000 0.000 0.268 26 E C -0.576 176.107 176.600 0.138 0.000 0.896 26 E CA -0.649 55.816 56.400 0.108 0.000 0.766 26 E CB 2.396 32.126 29.700 0.051 0.000 1.142 26 E HN 0.504 nan 8.360 nan 0.000 0.408 27 I N 3.564 124.214 120.570 0.133 0.000 2.388 27 I HA 0.212 4.382 4.170 -0.000 0.000 0.281 27 I C -0.291 175.881 176.117 0.092 0.000 1.046 27 I CA -0.550 60.826 61.300 0.127 0.000 1.187 27 I CB 0.662 38.758 38.000 0.160 0.000 1.351 27 I HN 0.237 nan 8.210 nan 0.000 0.472 28 K N 5.556 125.983 120.400 0.045 0.000 2.249 28 K HA 0.296 4.616 4.320 -0.000 0.000 0.280 28 K C -0.293 176.250 176.600 -0.094 0.000 1.033 28 K CA -0.318 55.960 56.287 -0.016 0.000 0.946 28 K CB 1.248 33.731 32.500 -0.029 0.000 1.005 28 K HN 0.489 nan 8.250 nan 0.000 0.469 29 Q N 2.483 122.170 119.800 -0.187 0.000 2.342 29 Q HA 0.239 4.579 4.340 -0.000 0.000 0.267 29 Q C -1.388 174.411 176.000 -0.336 0.000 1.038 29 Q CA -0.773 54.746 55.803 -0.473 0.000 0.832 29 Q CB 1.345 29.751 28.738 -0.553 0.000 1.323 29 Q HN 0.535 nan 8.270 nan 0.000 0.448 30 N N 2.697 121.177 118.700 -0.366 0.000 2.675 30 N HA 0.380 5.120 4.740 -0.000 0.000 0.254 30 N C -0.097 175.282 175.510 -0.217 0.000 1.224 30 N CA 0.776 53.695 53.050 -0.217 0.000 0.777 30 N CB 0.969 39.365 38.487 -0.151 0.000 1.256 30 N HN 0.924 nan 8.380 nan 0.000 0.531 31 G N 3.430 112.113 108.800 -0.196 0.000 2.652 31 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.278 31 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.278 31 G C 0.161 174.949 174.900 -0.187 0.000 1.263 31 G CA 0.462 45.477 45.100 -0.141 0.000 0.966 31 G HN 0.868 nan 8.290 nan 0.000 0.544 32 N N 0.783 119.396 118.700 -0.145 0.000 2.291 32 N HA 0.368 5.108 4.740 -0.000 0.000 0.244 32 N C 0.210 175.678 175.510 -0.070 0.000 1.216 32 N CA -0.070 52.918 53.050 -0.103 0.000 0.879 32 N CB 0.399 38.858 38.487 -0.048 0.000 1.167 32 N HN 0.690 nan 8.380 nan 0.000 0.515 33 R N 0.396 120.783 120.500 -0.189 0.000 2.265 33 R HA 0.361 4.701 4.340 -0.000 0.000 0.328 33 R C -1.139 175.005 176.300 -0.259 0.000 0.969 33 R CA -0.454 55.571 56.100 -0.124 0.000 0.832 33 R CB 0.692 30.931 30.300 -0.102 0.000 1.139 33 R HN 0.156 nan 8.270 nan 0.000 0.457 34 Y N 1.452 121.681 120.300 -0.118 0.000 2.387 34 Y HA 0.374 4.924 4.550 -0.000 0.000 0.330 34 Y C 0.371 176.211 175.900 -0.099 0.000 1.133 34 Y CA -0.482 57.549 58.100 -0.115 0.000 1.152 34 Y CB 1.758 40.125 38.460 -0.156 0.000 1.215 34 Y HN 0.306 nan 8.280 nan 0.000 0.466 35 K N 4.031 124.460 120.400 0.047 0.000 2.397 35 K HA 0.583 4.903 4.320 -0.000 0.000 0.253 35 K C -1.778 174.838 176.600 0.028 0.000 0.932 35 K CA -0.403 55.892 56.287 0.014 0.000 0.795 35 K CB 1.063 33.552 32.500 -0.018 0.000 1.159 35 K HN 0.687 nan 8.250 nan 0.000 0.424 36 I N 3.517 124.092 120.570 0.008 0.000 2.404 36 I HA 0.330 4.500 4.170 -0.000 0.000 0.293 36 I C -0.308 175.816 176.117 0.012 0.000 0.992 36 I CA -0.710 60.597 61.300 0.012 0.000 1.149 36 I CB 1.896 39.877 38.000 -0.031 0.000 1.315 36 I HN 0.649 nan 8.210 nan 0.000 0.446 37 E N 4.591 124.814 120.200 0.039 0.000 2.359 37 E HA 0.390 4.740 4.350 -0.000 0.000 0.266 37 E C -0.763 175.876 176.600 0.064 0.000 0.920 37 E CA -1.024 55.398 56.400 0.037 0.000 0.788 37 E CB 1.978 31.696 29.700 0.029 0.000 1.279 37 E HN 0.351 nan 8.360 nan 0.000 0.438 38 K N -0.319 120.111 120.400 0.049 0.000 3.012 38 K HA -0.185 4.135 4.320 -0.000 0.000 0.259 38 K C -0.479 176.171 176.600 0.084 0.000 0.989 38 K CA 0.242 56.565 56.287 0.060 0.000 0.728 38 K CB -1.288 31.249 32.500 0.063 0.000 1.260 38 K HN 0.240 nan 8.250 nan 0.000 0.480 39 V N 0.405 120.347 119.914 0.046 0.000 2.834 39 V HA 0.655 4.775 4.120 -0.000 0.000 0.313 39 V C 0.401 176.501 176.094 0.009 0.000 1.060 39 V CA 0.506 62.811 62.300 0.009 0.000 0.989 39 V CB 1.986 33.757 31.823 -0.085 0.000 1.041 39 V HN 0.427 nan 8.190 nan 0.000 0.459 40 T N 0.552 115.109 114.554 0.006 0.000 2.838 40 T HA 0.405 4.755 4.350 -0.000 0.000 0.292 40 T C 0.428 175.132 174.700 0.006 0.000 1.113 40 T CA -0.439 61.670 62.100 0.015 0.000 1.008 40 T CB 1.490 70.374 68.868 0.027 0.000 1.259 40 T HN 0.546 nan 8.240 nan 0.000 0.520 41 D N 0.923 121.332 120.400 0.015 0.000 2.149 41 D HA -0.118 4.522 4.640 -0.000 0.000 0.198 41 D C 2.227 178.533 176.300 0.009 0.000 0.990 41 D CA 2.040 56.048 54.000 0.013 0.000 0.839 41 D CB -0.174 40.638 40.800 0.020 0.000 0.948 41 D HN 0.693 nan 8.370 nan 0.000 0.460 42 S N -0.135 115.573 115.700 0.014 0.000 2.496 42 S HA -0.050 4.420 4.470 -0.000 0.000 0.224 42 S C 1.881 176.492 174.600 0.019 0.000 0.996 42 S CA 0.899 59.109 58.200 0.016 0.000 0.927 42 S CB 0.094 63.306 63.200 0.019 0.000 0.774 42 S HN 0.192 nan 8.310 nan 0.000 0.524 43 S N 0.703 116.412 115.700 0.016 0.000 2.511 43 S HA 0.242 4.712 4.470 -0.000 0.000 0.214 43 S C 1.502 176.065 174.600 -0.061 0.000 0.997 43 S CA 0.015 58.224 58.200 0.015 0.000 0.908 43 S CB -0.296 62.950 63.200 0.076 0.000 0.803 43 S HN 0.360 nan 8.310 nan 0.000 0.504 44 L N 1.943 123.128 121.223 -0.063 0.000 2.141 44 L HA 0.226 4.566 4.340 -0.000 0.000 0.209 44 L C 2.265 179.095 176.870 -0.067 0.000 1.094 44 L CA 1.747 56.530 54.840 -0.096 0.000 0.763 44 L CB -0.556 41.471 42.059 -0.054 0.000 0.908 44 L HN 0.308 nan 8.230 nan 0.000 0.437 45 K N -0.861 119.523 120.400 -0.026 0.000 2.103 45 K HA -0.229 4.090 4.320 -0.000 0.000 0.204 45 K C 2.186 178.788 176.600 0.004 0.000 1.052 45 K CA 1.493 57.779 56.287 -0.001 0.000 0.945 45 K CB -0.115 32.390 32.500 0.008 0.000 0.722 45 K HN 0.583 nan 8.250 nan 0.000 0.443 46 Q N 0.282 120.085 119.800 0.004 0.000 2.030 46 Q HA -0.206 4.134 4.340 -0.000 0.000 0.204 46 Q C 1.911 177.924 176.000 0.021 0.000 0.986 46 Q CA 1.856 57.681 55.803 0.038 0.000 0.843 46 Q CB -0.287 28.503 28.738 0.087 0.000 0.904 46 Q HN 0.373 nan 8.270 nan 0.000 0.420 47 A N 1.056 123.803 122.820 -0.121 0.000 1.884 47 A HA -0.232 4.088 4.320 -0.000 0.000 0.219 47 A C 2.116 179.668 177.584 -0.054 0.000 1.197 47 A CA 1.910 53.805 52.037 -0.236 0.000 0.637 47 A CB -1.026 17.667 19.000 -0.513 0.000 0.827 47 A HN 0.502 nan 8.150 nan 0.000 0.450 48 L N -1.072 120.139 121.223 -0.019 0.000 2.056 48 L HA -0.158 4.182 4.340 -0.000 0.000 0.207 48 L C 3.101 180.065 176.870 0.156 0.000 1.078 48 L CA 0.951 55.845 54.840 0.090 0.000 0.749 48 L CB -0.709 41.441 42.059 0.151 0.000 0.901 48 L HN 0.447 nan 8.230 nan 0.000 0.433 49 A N 0.457 123.327 122.820 0.083 0.000 1.948 49 A HA -0.246 4.074 4.320 -0.000 0.000 0.220 49 A C 2.390 180.014 177.584 0.067 0.000 1.177 49 A CA 2.052 54.123 52.037 0.057 0.000 0.636 49 A CB -0.780 18.241 19.000 0.036 0.000 0.815 49 A HN 0.518 nan 8.150 nan 0.000 0.449 50 S N -1.027 114.720 115.700 0.077 0.000 2.727 50 S HA 0.209 4.679 4.470 -0.000 0.000 0.226 50 S C 0.958 175.599 174.600 0.068 0.000 0.963 50 S CA 0.795 59.042 58.200 0.078 0.000 0.950 50 S CB -0.447 62.817 63.200 0.107 0.000 0.779 50 S HN 0.446 nan 8.310 nan 0.000 0.532 51 L N -0.526 120.749 121.223 0.087 0.000 2.966 51 L HA 0.400 4.740 4.340 -0.000 0.000 0.262 51 L C 2.358 179.314 176.870 0.143 0.000 1.165 51 L CA -0.273 54.609 54.840 0.070 0.000 0.978 51 L CB 0.085 42.140 42.059 -0.005 0.000 1.337 51 L HN 0.168 nan 8.230 nan 0.000 0.563 52 R N -0.004 120.539 120.500 0.071 0.000 2.115 52 R HA -0.091 4.249 4.340 -0.000 0.000 0.226 52 R C 1.950 178.258 176.300 0.014 0.000 1.100 52 R CA 0.774 56.849 56.100 -0.042 0.000 0.980 52 R CB 0.044 30.291 30.300 -0.088 0.000 0.875 52 R HN 0.316 nan 8.270 nan 0.000 0.445 53 Q N 0.049 119.879 119.800 0.049 0.000 2.135 53 Q HA -0.072 4.268 4.340 -0.000 0.000 0.204 53 Q C 1.345 177.432 176.000 0.145 0.000 0.981 53 Q CA 1.537 57.392 55.803 0.087 0.000 0.856 53 Q CB -0.014 28.774 28.738 0.082 0.000 0.902 53 Q HN 0.106 nan 8.270 nan 0.000 0.425 54 S N -0.273 115.476 115.700 0.083 0.000 2.582 54 S HA 0.291 4.761 4.470 -0.000 0.000 0.234 54 S C 1.368 175.866 174.600 -0.170 0.000 0.961 54 S CA 0.303 58.496 58.200 -0.012 0.000 0.953 54 S CB 0.377 63.529 63.200 -0.079 0.000 0.800 54 S HN 0.387 nan 8.310 nan 0.000 0.471 55 A N 2.643 125.482 122.820 0.033 0.000 1.892 55 A HA -0.155 4.165 4.320 -0.000 0.000 0.218 55 A C 1.991 179.603 177.584 0.047 0.000 1.188 55 A CA 1.664 53.764 52.037 0.106 0.000 0.631 55 A CB -1.103 17.888 19.000 -0.015 0.000 0.822 55 A HN 0.910 nan 8.150 nan 0.000 0.447 56 W N 0.267 121.608 121.300 0.068 0.000 2.321 56 W HA -0.245 4.415 4.660 0.000 0.000 0.285 56 W C 1.065 177.638 176.519 0.090 0.000 1.213 56 W CA 1.456 58.840 57.345 0.065 0.000 1.205 56 W CB -0.924 28.564 29.460 0.045 0.000 1.134 56 W HN 0.492 nan 8.180 nan 0.000 0.549 57 N N 0.502 118.646 118.700 -0.927 0.000 2.236 57 N HA 0.029 4.769 4.740 -0.000 0.000 0.196 57 N C -0.480 174.871 175.510 -0.266 0.000 1.114 57 N CA 0.115 52.599 53.050 -0.943 0.000 0.859 57 N CB 0.110 37.674 38.487 -1.538 0.000 0.982 57 N HN -0.128 nan 8.380 nan 0.000 0.493 58 V N 1.947 121.735 119.914 -0.210 0.000 2.338 58 V HA 0.140 4.260 4.120 -0.000 0.000 0.255 58 V C 1.252 177.321 176.094 -0.042 0.000 1.082 58 V CA -0.010 62.196 62.300 -0.156 0.000 0.951 58 V CB 0.781 32.354 31.823 -0.415 0.000 1.102 58 V HN 0.239 nan 8.190 nan 0.000 0.489 59 K N 2.855 123.265 120.400 0.018 0.000 2.276 59 K HA 0.218 4.538 4.320 -0.000 0.000 0.198 59 K C 0.369 176.974 176.600 0.009 0.000 1.052 59 K CA 0.569 56.866 56.287 0.016 0.000 0.984 59 K CB 0.632 33.144 32.500 0.019 0.000 0.836 59 K HN 0.686 nan 8.250 nan 0.000 0.490 60 E N 0.735 120.945 120.200 0.016 0.000 2.293 60 E HA 0.288 4.638 4.350 -0.000 0.000 0.270 60 E C -1.679 174.919 176.600 -0.004 0.000 0.879 60 E CA -0.774 55.625 56.400 -0.002 0.000 0.756 60 E CB 2.341 32.038 29.700 -0.005 0.000 1.208 60 E HN -0.090 nan 8.360 nan 0.000 0.428 61 L N 2.194 123.392 121.223 -0.043 0.000 2.410 61 L HA 0.467 4.807 4.340 -0.000 0.000 0.270 61 L C -1.769 175.071 176.870 -0.050 0.000 0.983 61 L CA -0.391 54.407 54.840 -0.071 0.000 0.822 61 L CB 1.849 43.794 42.059 -0.191 0.000 1.285 61 L HN 0.441 nan 8.230 nan 0.000 0.409 62 D N 4.429 124.807 120.400 -0.036 0.000 2.549 62 D HA 0.366 5.006 4.640 -0.000 0.000 0.251 62 D C -0.378 175.902 176.300 -0.033 0.000 1.153 62 D CA -0.170 53.811 54.000 -0.033 0.000 0.861 62 D CB 1.159 41.942 40.800 -0.029 0.000 1.207 62 D HN 0.615 nan 8.370 nan 0.000 0.543 63 L N 2.434 123.637 121.223 -0.034 0.000 2.910 63 L HA 0.201 4.541 4.340 -0.000 0.000 0.252 63 L C 0.848 177.705 176.870 -0.022 0.000 1.195 63 L CA -0.392 54.430 54.840 -0.031 0.000 1.003 63 L CB -0.009 42.029 42.059 -0.035 0.000 1.328 63 L HN 0.317 nan 8.230 nan 0.000 0.540 64 S N -0.349 115.337 115.700 -0.023 0.000 2.589 64 S HA 0.340 4.810 4.470 -0.000 0.000 0.265 64 S C 1.319 175.910 174.600 -0.015 0.000 1.342 64 S CA 0.193 58.379 58.200 -0.022 0.000 1.005 64 S CB 0.968 64.150 63.200 -0.030 0.000 0.909 64 S HN 0.456 nan 8.310 nan 0.000 0.555 65 G N 1.358 110.150 108.800 -0.013 0.000 2.323 65 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.292 65 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.292 65 G C -0.023 174.879 174.900 0.005 0.000 1.040 65 G CA 0.222 45.319 45.100 -0.005 0.000 0.942 65 G HN 0.769 nan 8.290 nan 0.000 0.506 66 N N -0.569 118.136 118.700 0.008 0.000 2.906 66 N HA 0.570 5.309 4.740 -0.000 0.000 0.327 66 N C -2.549 172.979 175.510 0.030 0.000 1.344 66 N CA -1.438 51.622 53.050 0.017 0.000 0.823 66 N CB 1.796 40.288 38.487 0.010 0.000 1.351 66 N HN -0.042 nan 8.380 nan 0.000 0.604 67 P HA 0.315 nan 4.420 nan 0.000 0.257 67 P C -0.257 177.077 177.300 0.056 0.000 1.737 67 P CA 0.005 63.137 63.100 0.052 0.000 1.130 67 P CB 0.077 31.805 31.700 0.046 0.000 1.572 68 L N 0.540 121.791 121.223 0.046 0.000 2.456 68 L HA 0.135 4.475 4.340 -0.000 0.000 0.272 68 L C 1.536 178.455 176.870 0.081 0.000 1.189 68 L CA 0.467 55.334 54.840 0.046 0.000 0.846 68 L CB 0.368 42.443 42.059 0.026 0.000 1.111 68 L HN 0.080 nan 8.230 nan 0.000 0.475 69 S N 0.082 115.836 115.700 0.089 0.000 2.649 69 S HA 0.226 4.696 4.470 -0.000 0.000 0.246 69 S C 0.316 174.989 174.600 0.122 0.000 1.057 69 S CA -0.525 57.763 58.200 0.146 0.000 1.051 69 S CB 0.636 63.929 63.200 0.155 0.000 1.018 69 S HN 0.693 nan 8.310 nan 0.000 0.569 70 Q N 0.382 120.226 119.800 0.075 0.000 2.456 70 Q HA 0.585 4.925 4.340 -0.000 0.000 0.283 70 Q C -1.711 174.313 176.000 0.040 0.000 1.084 70 Q CA -0.817 55.021 55.803 0.059 0.000 0.801 70 Q CB 2.226 30.992 28.738 0.047 0.000 1.434 70 Q HN 0.273 nan 8.270 nan 0.000 0.419 71 I N 1.328 121.919 120.570 0.035 0.000 2.548 71 I HA 0.117 4.287 4.170 -0.000 0.000 0.287 71 I C -0.285 175.848 176.117 0.027 0.000 1.103 71 I CA -0.340 60.976 61.300 0.027 0.000 1.049 71 I CB 1.942 39.956 38.000 0.023 0.000 1.232 71 I HN 0.496 nan 8.210 nan 0.000 0.429 72 S N 5.107 120.823 115.700 0.026 0.000 2.701 72 S HA 0.338 4.808 4.470 -0.000 0.000 0.317 72 S C 1.470 176.090 174.600 0.032 0.000 1.149 72 S CA 0.126 58.342 58.200 0.027 0.000 1.052 72 S CB 0.419 63.633 63.200 0.024 0.000 1.257 72 S HN 0.746 nan 8.310 nan 0.000 0.532 73 A N 5.179 128.017 122.820 0.030 0.000 1.985 73 A HA -0.167 4.153 4.320 -0.000 0.000 0.223 73 A C 2.386 179.990 177.584 0.033 0.000 1.189 73 A CA 2.308 54.364 52.037 0.032 0.000 0.658 73 A CB -1.323 17.692 19.000 0.025 0.000 0.820 73 A HN 1.255 nan 8.150 nan 0.000 0.464 74 A N -0.813 122.021 122.820 0.023 0.000 1.929 74 A HA -0.067 4.253 4.320 -0.000 0.000 0.216 74 A C 1.687 179.278 177.584 0.012 0.000 1.176 74 A CA 1.582 53.627 52.037 0.013 0.000 0.628 74 A CB -0.461 18.542 19.000 0.006 0.000 0.816 74 A HN 0.440 nan 8.150 nan 0.000 0.444 75 D N -0.124 120.292 120.400 0.026 0.000 2.263 75 D HA -0.079 4.561 4.640 -0.000 0.000 0.208 75 D C 1.415 177.771 176.300 0.092 0.000 0.971 75 D CA 0.934 54.958 54.000 0.040 0.000 0.867 75 D CB -0.099 40.730 40.800 0.049 0.000 0.929 75 D HN 0.461 nan 8.370 nan 0.000 0.492 76 L N -0.341 120.954 121.223 0.119 0.000 2.640 76 L HA 0.260 4.600 4.340 -0.000 0.000 0.230 76 L C 2.020 178.993 176.870 0.171 0.000 1.123 76 L CA -0.041 54.952 54.840 0.256 0.000 0.900 76 L CB 0.227 42.398 42.059 0.186 0.000 1.146 76 L HN -0.111 nan 8.230 nan 0.000 0.484 77 A N 0.698 123.540 122.820 0.036 0.000 2.119 77 A HA 0.020 4.340 4.320 -0.000 0.000 0.217 77 A C -0.313 177.225 177.584 -0.076 0.000 1.153 77 A CA 0.718 52.756 52.037 0.002 0.000 0.692 77 A CB -1.121 17.874 19.000 -0.008 0.000 0.799 77 A HN 0.245 nan 8.150 nan 0.000 0.458 78 P HA -0.065 nan 4.420 nan 0.000 0.221 78 P C -0.117 176.947 177.300 -0.394 0.000 1.150 78 P CA 0.616 63.489 63.100 -0.379 0.000 0.800 78 P CB -0.133 31.190 31.700 -0.628 0.000 0.787 79 F N 0.676 120.610 119.950 -0.026 0.000 2.652 79 F HA 0.119 4.646 4.527 -0.000 0.000 0.352 79 F C 1.588 177.380 175.800 -0.013 0.000 1.259 79 F CA -0.017 57.961 58.000 -0.036 0.000 1.249 79 F CB -0.926 38.035 39.000 -0.065 0.000 1.628 79 F HN -0.115 nan 8.300 nan 0.000 0.654 80 T N -2.798 111.818 114.554 0.104 0.000 3.194 80 T HA 0.029 4.379 4.350 -0.000 0.000 0.251 80 T C 1.337 176.090 174.700 0.088 0.000 1.132 80 T CA 0.296 62.442 62.100 0.077 0.000 1.028 80 T CB -0.060 68.837 68.868 0.048 0.000 0.976 80 T HN 0.175 nan 8.240 nan 0.000 0.535 81 K N 0.437 120.904 120.400 0.110 0.000 2.402 81 K HA 0.326 4.646 4.320 -0.000 0.000 0.204 81 K C 0.245 176.890 176.600 0.074 0.000 1.056 81 K CA -0.405 55.938 56.287 0.093 0.000 1.069 81 K CB 0.341 32.907 32.500 0.109 0.000 0.888 81 K HN 0.353 nan 8.250 nan 0.000 0.546 82 L N 2.176 123.450 121.223 0.084 0.000 2.477 82 L HA 0.008 4.348 4.340 -0.000 0.000 0.272 82 L C 0.920 177.813 176.870 0.038 0.000 1.157 82 L CA 1.010 55.880 54.840 0.050 0.000 0.889 82 L CB 0.469 42.565 42.059 0.061 0.000 1.158 82 L HN 0.146 nan 8.230 nan 0.000 0.473 83 E N 3.881 124.095 120.200 0.025 0.000 2.453 83 E HA 0.281 4.631 4.350 -0.000 0.000 0.211 83 E C -0.677 175.937 176.600 0.022 0.000 0.897 83 E CA -0.100 56.316 56.400 0.027 0.000 1.063 83 E CB 0.623 30.341 29.700 0.029 0.000 1.080 83 E HN 0.655 nan 8.360 nan 0.000 0.512 84 L N 1.377 122.608 121.223 0.013 0.000 2.464 84 L HA 0.492 4.832 4.340 -0.000 0.000 0.266 84 L C -2.084 174.785 176.870 -0.001 0.000 0.965 84 L CA -1.005 53.843 54.840 0.014 0.000 0.833 84 L CB 1.767 43.835 42.059 0.014 0.000 1.296 84 L HN -0.015 nan 8.230 nan 0.000 0.405 85 L N 4.999 126.225 121.223 0.005 0.000 2.406 85 L HA 0.592 4.932 4.340 -0.000 0.000 0.272 85 L C -1.520 175.350 176.870 -0.001 0.000 0.980 85 L CA -0.099 54.735 54.840 -0.010 0.000 0.831 85 L CB 1.746 43.801 42.059 -0.007 0.000 1.253 85 L HN 0.657 nan 8.230 nan 0.000 0.406 86 N N 5.347 124.038 118.700 -0.015 0.000 2.479 86 N HA 0.387 5.127 4.740 -0.000 0.000 0.261 86 N C -0.581 174.916 175.510 -0.021 0.000 0.979 86 N CA -0.349 52.691 53.050 -0.016 0.000 0.930 86 N CB 1.112 39.582 38.487 -0.028 0.000 1.172 86 N HN 0.802 nan 8.380 nan 0.000 0.499 87 L N 1.238 122.451 121.223 -0.016 0.000 2.910 87 L HA 0.272 4.612 4.340 -0.000 0.000 0.252 87 L C 1.010 177.864 176.870 -0.027 0.000 1.195 87 L CA -0.277 54.553 54.840 -0.018 0.000 1.003 87 L CB 0.047 42.099 42.059 -0.012 0.000 1.328 87 L HN 0.393 nan 8.230 nan 0.000 0.540 88 S N 0.008 115.688 115.700 -0.033 0.000 2.558 88 S HA -0.012 4.458 4.470 -0.000 0.000 0.291 88 S C 1.131 175.704 174.600 -0.044 0.000 1.306 88 S CA 0.239 58.412 58.200 -0.045 0.000 1.056 88 S CB 0.267 63.437 63.200 -0.049 0.000 0.836 88 S HN 0.450 nan 8.310 nan 0.000 0.504 89 S N 2.510 118.174 115.700 -0.060 0.000 3.614 89 S HA -0.152 4.318 4.470 -0.000 0.000 0.360 89 S C 0.319 174.904 174.600 -0.026 0.000 1.023 89 S CA 0.891 59.060 58.200 -0.051 0.000 1.114 89 S CB -1.929 61.251 63.200 -0.034 0.000 0.907 89 S HN 0.805 nan 8.310 nan 0.000 0.470 90 N N 0.133 118.819 118.700 -0.024 0.000 2.645 90 N HA 0.507 5.247 4.740 -0.000 0.000 0.308 90 N C 0.726 176.267 175.510 0.051 0.000 1.335 90 N CA 0.164 53.223 53.050 0.015 0.000 0.909 90 N CB 0.563 39.062 38.487 0.019 0.000 1.109 90 N HN 0.323 nan 8.380 nan 0.000 0.555 91 V N -0.436 119.545 119.914 0.112 0.000 2.666 91 V HA 0.414 4.534 4.120 -0.000 0.000 0.306 91 V C -0.038 176.182 176.094 0.209 0.000 1.156 91 V CA -0.518 61.916 62.300 0.223 0.000 1.274 91 V CB -0.440 31.574 31.823 0.318 0.000 1.536 91 V HN 0.316 nan 8.190 nan 0.000 0.640 92 L N 1.688 122.964 121.223 0.088 0.000 2.490 92 L HA 0.401 4.741 4.340 -0.000 0.000 0.274 92 L C -0.139 176.735 176.870 0.006 0.000 1.201 92 L CA 0.568 55.461 54.840 0.088 0.000 0.869 92 L CB 0.108 42.184 42.059 0.028 0.000 1.123 92 L HN 0.393 nan 8.230 nan 0.000 0.484 93 Y N 0.914 121.272 120.300 0.097 0.000 2.662 93 Y HA 0.356 4.906 4.550 -0.000 0.000 0.335 93 Y C 0.598 176.531 175.900 0.054 0.000 1.066 93 Y CA -0.702 57.450 58.100 0.087 0.000 1.116 93 Y CB 1.272 39.751 38.460 0.033 0.000 1.308 93 Y HN 0.706 nan 8.280 nan 0.000 0.502 94 E N -0.924 119.414 120.200 0.230 0.000 3.431 94 E HA -0.240 4.110 4.350 -0.000 0.000 0.294 94 E C -0.886 175.765 176.600 0.085 0.000 1.487 94 E CA 1.251 57.730 56.400 0.132 0.000 2.027 94 E CB -1.129 28.637 29.700 0.109 0.000 1.966 94 E HN 0.576 nan 8.360 nan 0.000 0.482 95 T N 0.917 115.509 114.554 0.064 0.000 2.869 95 T HA 0.450 4.800 4.350 -0.000 0.000 0.295 95 T C -0.394 174.331 174.700 0.042 0.000 0.987 95 T CA -0.436 61.691 62.100 0.045 0.000 1.109 95 T CB 0.592 69.480 68.868 0.035 0.000 0.932 95 T HN 0.307 nan 8.240 nan 0.000 0.518 96 L N 3.943 125.185 121.223 0.031 0.000 2.318 96 L HA 0.512 4.852 4.340 -0.000 0.000 0.277 96 L C -0.950 175.932 176.870 0.021 0.000 1.008 96 L CA -0.489 54.367 54.840 0.026 0.000 0.846 96 L CB 1.067 43.138 42.059 0.019 0.000 1.220 96 L HN 0.443 nan 8.230 nan 0.000 0.423 97 D N 5.032 125.445 120.400 0.022 0.000 2.414 97 D HA 0.364 5.004 4.640 -0.000 0.000 0.232 97 D C -0.055 176.256 176.300 0.019 0.000 1.070 97 D CA -0.075 53.936 54.000 0.019 0.000 0.839 97 D CB 1.057 41.869 40.800 0.019 0.000 1.079 97 D HN 0.662 nan 8.370 nan 0.000 0.521 98 L N 3.084 124.317 121.223 0.018 0.000 3.298 98 L HA 0.223 4.563 4.340 -0.000 0.000 0.296 98 L C 1.769 178.650 176.870 0.019 0.000 1.237 98 L CA -0.232 54.620 54.840 0.020 0.000 1.038 98 L CB 0.493 42.565 42.059 0.021 0.000 1.423 98 L HN 0.372 nan 8.230 nan 0.000 0.605 99 E N 1.361 121.571 120.200 0.015 0.000 2.164 99 E HA -0.309 4.041 4.350 -0.000 0.000 0.206 99 E C 2.069 178.678 176.600 0.015 0.000 1.032 99 E CA 2.234 58.642 56.400 0.013 0.000 0.832 99 E CB 0.208 29.915 29.700 0.012 0.000 0.742 99 E HN 0.565 nan 8.360 nan 0.000 0.460 100 S N -0.069 115.641 115.700 0.017 0.000 2.453 100 S HA -0.042 4.428 4.470 -0.000 0.000 0.231 100 S C 1.136 175.749 174.600 0.021 0.000 1.005 100 S CA 0.158 58.368 58.200 0.017 0.000 0.949 100 S CB -0.222 62.987 63.200 0.016 0.000 0.774 100 S HN 0.199 nan 8.310 nan 0.000 0.510 101 L N 3.881 125.120 121.223 0.027 0.000 2.451 101 L HA 0.152 4.492 4.340 -0.000 0.000 0.272 101 L C 1.478 178.366 176.870 0.029 0.000 1.258 101 L CA -0.169 54.692 54.840 0.034 0.000 1.132 101 L CB -0.451 41.631 42.059 0.039 0.000 1.361 101 L HN 0.440 nan 8.230 nan 0.000 0.438 102 S N -1.327 114.390 115.700 0.027 0.000 2.555 102 S HA -0.084 4.386 4.470 -0.000 0.000 0.230 102 S C 1.392 176.007 174.600 0.026 0.000 0.978 102 S CA 0.673 58.887 58.200 0.023 0.000 0.934 102 S CB -0.118 63.094 63.200 0.020 0.000 0.766 102 S HN 0.611 nan 8.310 nan 0.000 0.533 103 T N 1.621 116.195 114.554 0.033 0.000 3.044 103 T HA 0.319 4.669 4.350 -0.000 0.000 0.250 103 T C 0.267 174.987 174.700 0.033 0.000 1.081 103 T CA -0.419 61.702 62.100 0.036 0.000 1.040 103 T CB -0.189 68.706 68.868 0.046 0.000 0.962 103 T HN 0.275 nan 8.240 nan 0.000 0.506 104 L N 2.761 124.004 121.223 0.032 0.000 2.513 104 L HA 0.187 4.527 4.340 -0.000 0.000 0.272 104 L C 0.997 177.882 176.870 0.025 0.000 1.187 104 L CA 0.576 55.433 54.840 0.029 0.000 0.895 104 L CB 0.258 42.334 42.059 0.028 0.000 1.147 104 L HN -0.013 nan 8.230 nan 0.000 0.483 105 R N 1.536 122.051 120.500 0.026 0.000 2.276 105 R HA 0.242 4.582 4.340 -0.000 0.000 0.195 105 R C -0.204 176.113 176.300 0.028 0.000 0.908 105 R CA 0.215 56.329 56.100 0.024 0.000 1.083 105 R CB 0.471 30.785 30.300 0.025 0.000 1.182 105 R HN 0.618 nan 8.270 nan 0.000 0.608 106 T N 1.616 116.194 114.554 0.040 0.000 2.809 106 T HA 0.443 4.792 4.350 -0.000 0.000 0.284 106 T C -1.573 173.169 174.700 0.069 0.000 0.992 106 T CA -0.442 61.697 62.100 0.065 0.000 0.957 106 T CB 1.825 70.741 68.868 0.081 0.000 0.942 106 T HN -0.126 nan 8.240 nan 0.000 0.439 107 L N 3.789 125.062 121.223 0.083 0.000 2.376 107 L HA 0.647 4.987 4.340 -0.000 0.000 0.275 107 L C -1.266 175.678 176.870 0.124 0.000 0.987 107 L CA -0.501 54.382 54.840 0.072 0.000 0.828 107 L CB 1.575 43.660 42.059 0.043 0.000 1.249 107 L HN 0.469 nan 8.230 nan 0.000 0.409 108 D N 4.900 125.360 120.400 0.101 0.000 2.425 108 D HA 0.401 5.041 4.640 -0.000 0.000 0.240 108 D C -0.270 176.050 176.300 0.034 0.000 1.080 108 D CA -0.297 53.765 54.000 0.104 0.000 0.836 108 D CB 1.279 42.091 40.800 0.020 0.000 1.125 108 D HN 0.589 nan 8.370 nan 0.000 0.525 109 L N 1.257 122.496 121.223 0.026 0.000 3.289 109 L HA 0.533 4.872 4.340 -0.000 0.000 0.291 109 L C -0.062 176.770 176.870 -0.063 0.000 1.279 109 L CA -0.916 53.912 54.840 -0.021 0.000 1.025 109 L CB -0.232 41.815 42.059 -0.021 0.000 1.413 109 L HN -0.049 nan 8.230 nan 0.000 0.593 110 N N 2.747 121.409 118.700 -0.064 0.000 2.292 110 N HA -0.043 4.696 4.740 -0.000 0.000 0.242 110 N C 0.006 175.431 175.510 -0.142 0.000 1.243 110 N CA 0.718 53.690 53.050 -0.131 0.000 0.851 110 N CB -0.101 38.316 38.487 -0.118 0.000 1.093 110 N HN 0.420 nan 8.380 nan 0.000 0.450 111 N N 0.582 119.165 118.700 -0.196 0.000 2.681 111 N HA -0.189 4.551 4.740 -0.000 0.000 0.259 111 N C -0.813 174.519 175.510 -0.296 0.000 1.066 111 N CA 0.601 53.513 53.050 -0.230 0.000 0.717 111 N CB -1.013 37.386 38.487 -0.147 0.000 0.885 111 N HN 0.629 nan 8.380 nan 0.000 0.547 112 N N -0.345 118.123 118.700 -0.386 0.000 3.566 112 N HA 0.432 5.172 4.740 -0.000 0.000 0.354 112 N C -0.420 174.624 175.510 -0.776 0.000 1.632 112 N CA -0.252 52.514 53.050 -0.473 0.000 0.690 112 N CB 0.477 38.835 38.487 -0.216 0.000 2.273 112 N HN 0.174 nan 8.380 nan 0.000 0.643 113 Y N 0.299 120.385 120.300 -0.357 0.000 2.750 113 Y HA 0.328 4.878 4.550 -0.000 0.000 0.247 113 Y C -0.117 175.615 175.900 -0.280 0.000 1.098 113 Y CA -0.341 57.507 58.100 -0.419 0.000 1.120 113 Y CB 0.536 38.418 38.460 -0.964 0.000 1.210 113 Y HN 0.018 nan 8.280 nan 0.000 0.601 114 V N 1.430 121.294 119.914 -0.083 0.000 2.963 114 V HA -0.042 4.077 4.120 -0.000 0.000 0.306 114 V C 0.783 176.883 176.094 0.010 0.000 1.077 114 V CA 0.826 63.116 62.300 -0.017 0.000 1.124 114 V CB 1.602 33.410 31.823 -0.025 0.000 0.987 114 V HN 0.541 nan 8.190 nan 0.000 0.487 115 Q N 1.252 121.074 119.800 0.037 0.000 2.471 115 Q HA 0.248 4.588 4.340 -0.000 0.000 0.241 115 Q C -0.180 175.837 176.000 0.029 0.000 0.886 115 Q CA 0.288 56.115 55.803 0.041 0.000 0.953 115 Q CB 0.949 29.724 28.738 0.061 0.000 1.108 115 Q HN 0.826 nan 8.270 nan 0.000 0.575 116 E N 0.675 120.891 120.200 0.028 0.000 2.317 116 E HA 0.545 4.895 4.350 -0.000 0.000 0.270 116 E C -1.654 174.956 176.600 0.016 0.000 0.885 116 E CA -0.783 55.629 56.400 0.020 0.000 0.760 116 E CB 2.722 32.434 29.700 0.022 0.000 1.227 116 E HN -0.120 nan 8.360 nan 0.000 0.434 117 L N 2.352 123.581 121.223 0.010 0.000 2.438 117 L HA 0.458 4.798 4.340 -0.000 0.000 0.270 117 L C -2.240 174.634 176.870 0.006 0.000 0.972 117 L CA -0.596 54.248 54.840 0.007 0.000 0.831 117 L CB 1.366 43.425 42.059 0.000 0.000 1.273 117 L HN 0.442 nan 8.230 nan 0.000 0.405 118 L N 6.363 127.591 121.223 0.009 0.000 2.381 118 L HA 0.851 5.191 4.340 -0.000 0.000 0.274 118 L C -0.191 176.684 176.870 0.008 0.000 0.988 118 L CA -0.583 54.261 54.840 0.008 0.000 0.824 118 L CB 1.862 43.927 42.059 0.010 0.000 1.263 118 L HN 0.500 nan 8.230 nan 0.000 0.410 119 V N -0.959 118.958 119.914 0.006 0.000 3.158 119 V HA 1.079 5.199 4.120 -0.000 0.000 0.315 119 V C 0.234 176.332 176.094 0.007 0.000 1.148 119 V CA -0.455 61.849 62.300 0.007 0.000 1.042 119 V CB 1.473 33.298 31.823 0.003 0.000 1.101 119 V HN 0.711 nan 8.190 nan 0.000 0.448 120 G N -0.751 108.054 108.800 0.009 0.000 2.613 120 G HA2 0.651 4.610 3.960 -0.000 0.000 0.303 120 G HA3 0.651 4.610 3.960 -0.000 0.000 0.303 120 G C -2.115 172.790 174.900 0.008 0.000 1.312 120 G CA -1.296 43.810 45.100 0.010 0.000 1.036 120 G HN 0.635 nan 8.290 nan 0.000 0.513 121 P HA 0.066 nan 4.420 nan 0.000 0.234 121 P C 1.178 178.483 177.300 0.009 0.000 1.167 121 P CA 0.836 63.941 63.100 0.008 0.000 0.763 121 P CB 0.524 32.230 31.700 0.010 0.000 0.835 122 S N -1.338 114.369 115.700 0.011 0.000 2.523 122 S HA 0.155 4.625 4.470 -0.000 0.000 0.217 122 S C 0.769 175.374 174.600 0.009 0.000 0.996 122 S CA -0.293 57.914 58.200 0.012 0.000 0.921 122 S CB -0.106 63.104 63.200 0.018 0.000 0.829 122 S HN 0.003 nan 8.310 nan 0.000 0.495 123 I N 3.459 124.032 120.570 0.005 0.000 2.742 123 I HA -0.010 4.160 4.170 -0.000 0.000 0.287 123 I C 1.230 177.342 176.117 -0.008 0.000 1.186 123 I CA 0.875 62.175 61.300 -0.001 0.000 1.417 123 I CB 0.012 38.008 38.000 -0.007 0.000 1.377 123 I HN 0.383 nan 8.210 nan 0.000 0.556 124 E N 3.440 123.636 120.200 -0.006 0.000 2.244 124 E HA 0.088 4.438 4.350 -0.000 0.000 0.196 124 E C -0.031 176.547 176.600 -0.036 0.000 0.939 124 E CA 0.485 56.877 56.400 -0.013 0.000 0.884 124 E CB 0.435 30.136 29.700 0.003 0.000 0.850 124 E HN 0.557 nan 8.360 nan 0.000 0.481 125 T N 1.412 115.947 114.554 -0.033 0.000 2.921 125 T HA 0.445 4.795 4.350 -0.000 0.000 0.297 125 T C -1.578 173.071 174.700 -0.084 0.000 1.013 125 T CA -0.588 61.465 62.100 -0.078 0.000 0.990 125 T CB 1.998 70.854 68.868 -0.021 0.000 1.023 125 T HN -0.080 nan 8.240 nan 0.000 0.447 126 L N 4.142 125.267 121.223 -0.164 0.000 2.427 126 L HA 0.424 4.763 4.340 -0.000 0.000 0.264 126 L C -1.140 175.696 176.870 -0.056 0.000 0.989 126 L CA -0.401 54.391 54.840 -0.080 0.000 0.865 126 L CB 0.590 42.602 42.059 -0.078 0.000 1.209 126 L HN 0.688 nan 8.230 nan 0.000 0.430 127 H N 5.181 124.340 119.070 0.148 0.000 2.690 127 H HA 0.615 5.171 4.556 -0.000 0.000 0.289 127 H C 0.021 175.368 175.328 0.031 0.000 1.089 127 H CA 0.244 56.384 56.048 0.154 0.000 1.299 127 H CB 1.503 31.311 29.762 0.075 0.000 1.405 127 H HN 0.718 nan 8.280 nan 0.000 0.463 128 A N 2.990 125.868 122.820 0.096 0.000 2.605 128 A HA 0.462 4.782 4.320 -0.000 0.000 0.292 128 A C 1.093 178.615 177.584 -0.103 0.000 1.055 128 A CA -0.076 51.955 52.037 -0.010 0.000 0.969 128 A CB 0.159 19.153 19.000 -0.010 0.000 1.236 128 A HN 0.674 nan 8.150 nan 0.000 0.534 129 A N 0.482 123.177 122.820 -0.208 0.000 2.536 129 A HA 0.377 4.697 4.320 -0.000 0.000 0.234 129 A C 0.642 178.035 177.584 -0.318 0.000 1.076 129 A CA 0.324 52.139 52.037 -0.371 0.000 0.769 129 A CB -0.254 18.193 19.000 -0.922 0.000 1.020 129 A HN 0.866 nan 8.150 nan 0.000 0.508 130 N N 0.822 119.363 118.700 -0.265 0.000 2.667 130 N HA -0.142 4.598 4.740 -0.000 0.000 0.263 130 N C -0.331 175.041 175.510 -0.231 0.000 1.038 130 N CA 1.285 54.206 53.050 -0.216 0.000 0.749 130 N CB -1.152 37.204 38.487 -0.218 0.000 0.892 130 N HN 0.739 nan 8.380 nan 0.000 0.546 131 N N 0.119 118.711 118.700 -0.179 0.000 3.294 131 N HA 0.298 5.038 4.740 -0.000 0.000 0.355 131 N C 0.172 175.622 175.510 -0.100 0.000 1.497 131 N CA -0.545 52.399 53.050 -0.177 0.000 0.707 131 N CB 0.532 38.937 38.487 -0.136 0.000 1.732 131 N HN 0.153 nan 8.380 nan 0.000 0.640 132 N N 0.484 119.154 118.700 -0.051 0.000 2.467 132 N HA 0.336 5.076 4.740 -0.000 0.000 0.278 132 N C -0.984 174.534 175.510 0.013 0.000 1.306 132 N CA -0.151 52.905 53.050 0.010 0.000 0.905 132 N CB -0.151 38.375 38.487 0.064 0.000 1.236 132 N HN 0.409 nan 8.380 nan 0.000 0.509 133 I N 0.882 121.448 120.570 -0.007 0.000 2.556 133 I HA 0.040 4.210 4.170 -0.000 0.000 0.284 133 I C 0.755 176.879 176.117 0.011 0.000 1.114 133 I CA 0.108 61.408 61.300 -0.000 0.000 1.418 133 I CB 1.032 39.023 38.000 -0.014 0.000 1.394 133 I HN 0.287 nan 8.210 nan 0.000 0.552 134 S N 5.767 121.477 115.700 0.017 0.000 2.960 134 S HA 0.389 4.859 4.470 -0.000 0.000 0.256 134 S C 0.129 174.739 174.600 0.016 0.000 1.017 134 S CA -0.688 57.524 58.200 0.020 0.000 1.144 134 S CB 0.371 63.587 63.200 0.027 0.000 1.109 134 S HN 0.604 nan 8.310 nan 0.000 0.638 135 R N 0.319 120.826 120.500 0.012 0.000 2.629 135 R HA 0.652 4.992 4.340 -0.000 0.000 0.266 135 R C -2.014 174.289 176.300 0.005 0.000 1.051 135 R CA -0.443 55.663 56.100 0.009 0.000 0.895 135 R CB 2.004 32.311 30.300 0.011 0.000 1.246 135 R HN 0.156 nan 8.270 nan 0.000 0.459 136 V N 1.055 120.970 119.914 0.002 0.000 2.711 136 V HA 0.440 4.560 4.120 -0.000 0.000 0.304 136 V C -0.669 175.424 176.094 -0.001 0.000 1.097 136 V CA -0.762 61.538 62.300 -0.001 0.000 0.906 136 V CB 2.431 34.249 31.823 -0.008 0.000 1.015 136 V HN 0.829 nan 8.190 nan 0.000 0.427 137 S N 2.370 118.070 115.700 0.000 0.000 2.503 137 S HA 0.704 5.174 4.470 -0.000 0.000 0.301 137 S C -0.717 173.882 174.600 -0.001 0.000 1.087 137 S CA -0.639 57.561 58.200 0.001 0.000 1.042 137 S CB 1.765 64.967 63.200 0.004 0.000 1.043 137 S HN 0.788 nan 8.310 nan 0.000 0.489 138 c N 2.473 121.072 118.600 -0.002 0.000 2.547 138 c HA 0.517 5.087 4.570 -0.000 0.000 0.327 138 c C 0.842 174.932 174.090 -0.000 0.000 1.076 138 c CA -1.020 55.307 56.329 -0.003 0.000 1.390 138 c CB -0.028 42.477 42.510 -0.009 0.000 1.918 138 c HN 0.928 nan 8.230 nan 0.000 0.438 139 S N 2.131 117.833 115.700 0.002 0.000 2.550 139 S HA 0.053 4.523 4.470 -0.000 0.000 0.285 139 S C 0.713 175.315 174.600 0.003 0.000 1.326 139 S CA 0.150 58.352 58.200 0.004 0.000 1.037 139 S CB 0.342 63.546 63.200 0.006 0.000 0.838 139 S HN 0.667 nan 8.310 nan 0.000 0.519 140 R N 0.752 121.254 120.500 0.004 0.000 2.679 140 R HA 0.454 4.794 4.340 -0.000 0.000 0.268 140 R C 0.633 176.935 176.300 0.004 0.000 1.044 140 R CA 0.141 56.243 56.100 0.003 0.000 1.105 140 R CB 0.182 30.484 30.300 0.004 0.000 0.989 140 R HN 0.741 nan 8.270 nan 0.000 0.447 141 G N 0.045 108.847 108.800 0.004 0.000 2.576 141 G HA2 0.118 4.078 3.960 -0.000 0.000 0.290 141 G HA3 0.118 4.078 3.960 -0.000 0.000 0.290 141 G C -0.533 174.369 174.900 0.005 0.000 1.442 141 G CA -0.572 44.531 45.100 0.004 0.000 0.792 141 G HN 0.531 nan 8.290 nan 0.000 0.491 142 Q N -0.889 118.914 119.800 0.006 0.000 2.378 142 Q HA 0.200 4.540 4.340 -0.000 0.000 0.216 142 Q C 1.343 177.347 176.000 0.007 0.000 0.892 142 Q CA 0.353 56.160 55.803 0.006 0.000 0.931 142 Q CB 1.161 29.903 28.738 0.008 0.000 1.086 142 Q HN 0.607 nan 8.270 nan 0.000 0.528 143 G N 0.864 109.667 108.800 0.006 0.000 2.528 143 G HA2 0.264 4.224 3.960 -0.000 0.000 0.289 143 G HA3 0.264 4.224 3.960 -0.000 0.000 0.289 143 G C -0.377 174.525 174.900 0.004 0.000 1.192 143 G CA -0.528 44.575 45.100 0.006 0.000 0.921 143 G HN -0.027 nan 8.290 nan 0.000 0.512 144 K N -0.254 120.149 120.400 0.005 0.000 2.187 144 K HA 0.280 4.600 4.320 -0.000 0.000 0.247 144 K C -0.278 176.317 176.600 -0.008 0.000 1.019 144 K CA 0.349 56.637 56.287 0.003 0.000 0.893 144 K CB 0.471 32.977 32.500 0.011 0.000 1.025 144 K HN 0.399 nan 8.250 nan 0.000 0.500 145 K N 1.344 121.732 120.400 -0.020 0.000 2.468 145 K HA 0.261 4.581 4.320 -0.000 0.000 0.252 145 K C -1.041 175.513 176.600 -0.076 0.000 0.932 145 K CA -0.612 55.647 56.287 -0.047 0.000 0.794 145 K CB 1.824 34.291 32.500 -0.054 0.000 1.241 145 K HN 0.458 nan 8.250 nan 0.000 0.428 146 N N 3.310 121.932 118.700 -0.130 0.000 2.457 146 N HA 0.308 5.048 4.740 -0.000 0.000 0.250 146 N C -0.886 174.324 175.510 -0.501 0.000 0.982 146 N CA -0.380 52.516 53.050 -0.257 0.000 0.941 146 N CB 1.029 39.370 38.487 -0.244 0.000 1.120 146 N HN 0.319 nan 8.380 nan 0.000 0.505 147 I N 3.291 123.586 120.570 -0.458 0.000 2.339 147 I HA 0.243 4.413 4.170 -0.000 0.000 0.290 147 I C -0.953 174.889 176.117 -0.459 0.000 0.994 147 I CA -0.696 60.360 61.300 -0.406 0.000 1.191 147 I CB 0.578 38.467 38.000 -0.185 0.000 1.343 147 I HN 0.336 nan 8.210 nan 0.000 0.458 148 Y N 6.778 127.063 120.300 -0.026 0.000 2.356 148 Y HA 0.462 5.012 4.550 -0.000 0.000 0.334 148 Y C 0.332 176.216 175.900 -0.027 0.000 0.958 148 Y CA -0.638 57.469 58.100 0.012 0.000 1.196 148 Y CB 1.114 39.580 38.460 0.009 0.000 1.137 148 Y HN 0.460 nan 8.280 nan 0.000 0.485 149 L N 2.422 123.706 121.223 0.102 0.000 3.333 149 L HA 0.467 4.807 4.340 -0.000 0.000 0.299 149 L C 0.761 177.631 176.870 0.001 0.000 1.256 149 L CA -0.472 54.380 54.840 0.021 0.000 1.037 149 L CB 0.364 42.424 42.059 0.001 0.000 1.423 149 L HN 0.737 nan 8.230 nan 0.000 0.605 150 A N 0.552 123.383 122.820 0.018 0.000 2.587 150 A HA 0.020 4.340 4.320 -0.000 0.000 0.235 150 A C 0.942 178.491 177.584 -0.058 0.000 1.044 150 A CA 0.699 52.737 52.037 0.002 0.000 0.754 150 A CB -0.185 18.843 19.000 0.048 0.000 0.968 150 A HN 0.641 nan 8.150 nan 0.000 0.509 151 N N 0.771 119.451 118.700 -0.033 0.000 2.726 151 N HA -0.145 4.595 4.740 -0.000 0.000 0.253 151 N C -0.311 175.173 175.510 -0.045 0.000 1.059 151 N CA 1.322 54.346 53.050 -0.043 0.000 0.701 151 N CB -1.322 37.127 38.487 -0.063 0.000 0.899 151 N HN 0.825 nan 8.380 nan 0.000 0.548 152 N N 0.136 118.824 118.700 -0.020 0.000 3.427 152 N HA 0.403 5.143 4.740 -0.000 0.000 0.364 152 N C -0.245 175.279 175.510 0.023 0.000 1.538 152 N CA -0.520 52.524 53.050 -0.010 0.000 0.662 152 N CB 0.455 38.931 38.487 -0.017 0.000 1.881 152 N HN 0.068 nan 8.380 nan 0.000 0.634 153 K N 1.161 121.579 120.400 0.029 0.000 2.826 153 K HA 0.377 4.697 4.320 -0.000 0.000 0.206 153 K C -0.336 176.292 176.600 0.048 0.000 1.116 153 K CA -0.267 56.050 56.287 0.051 0.000 1.045 153 K CB 0.620 33.149 32.500 0.048 0.000 0.758 153 K HN 0.422 nan 8.250 nan 0.000 0.465 154 I N 2.223 122.816 120.570 0.038 0.000 2.648 154 I HA -0.055 4.115 4.170 -0.000 0.000 0.284 154 I C 1.663 177.811 176.117 0.052 0.000 1.153 154 I CA 0.909 62.229 61.300 0.033 0.000 1.426 154 I CB 0.699 38.710 38.000 0.019 0.000 1.381 154 I HN 0.196 nan 8.210 nan 0.000 0.571 155 T N 2.477 117.059 114.554 0.046 0.000 2.958 155 T HA 0.363 4.713 4.350 -0.000 0.000 0.256 155 T C 0.188 174.913 174.700 0.041 0.000 0.983 155 T CA -0.223 61.913 62.100 0.061 0.000 0.924 155 T CB 0.431 69.331 68.868 0.052 0.000 1.136 155 T HN 0.624 nan 8.240 nan 0.000 0.506 156 M N -0.233 119.380 119.600 0.022 0.000 2.490 156 M HA 0.451 4.931 4.480 -0.000 0.000 0.286 156 M C -0.236 176.062 176.300 -0.004 0.000 1.185 156 M CA -0.932 54.370 55.300 0.003 0.000 0.912 156 M CB 1.365 33.966 32.600 0.001 0.000 1.744 156 M HN -0.253 nan 8.290 nan 0.000 0.494 157 L N 0.338 121.552 121.223 -0.016 0.000 2.197 157 L HA -0.151 4.189 4.340 -0.000 0.000 0.215 157 L C 2.184 179.050 176.870 -0.005 0.000 1.095 157 L CA 1.831 56.663 54.840 -0.013 0.000 0.764 157 L CB -0.724 41.324 42.059 -0.017 0.000 0.897 157 L HN 0.807 nan 8.230 nan 0.000 0.436 158 R N -0.578 119.920 120.500 -0.004 0.000 2.299 158 R HA -0.058 4.282 4.340 -0.000 0.000 0.197 158 R C 1.459 177.760 176.300 0.002 0.000 0.971 158 R CA 0.155 56.255 56.100 -0.001 0.000 1.030 158 R CB -0.027 30.272 30.300 -0.001 0.000 0.932 158 R HN 0.318 nan 8.270 nan 0.000 0.477 159 D N 0.620 121.022 120.400 0.003 0.000 2.182 159 D HA -0.111 4.529 4.640 -0.000 0.000 0.201 159 D C 0.146 176.447 176.300 0.002 0.000 0.986 159 D CA 1.080 55.083 54.000 0.005 0.000 0.847 159 D CB 0.112 40.918 40.800 0.009 0.000 0.942 159 D HN -0.020 nan 8.370 nan 0.000 0.467 160 L N 2.245 123.467 121.223 -0.001 0.000 2.305 160 L HA 0.137 4.477 4.340 -0.000 0.000 0.281 160 L C 0.642 177.511 176.870 -0.001 0.000 1.085 160 L CA -0.751 54.086 54.840 -0.004 0.000 0.813 160 L CB 0.858 42.912 42.059 -0.008 0.000 1.157 160 L HN -0.055 nan 8.230 nan 0.000 0.436 161 D N 2.171 122.570 120.400 -0.001 0.000 2.371 161 D HA -0.012 4.628 4.640 -0.000 0.000 0.242 161 D C 0.721 177.022 176.300 0.001 0.000 1.218 161 D CA -0.206 53.794 54.000 0.001 0.000 0.945 161 D CB 0.685 41.486 40.800 0.002 0.000 1.137 161 D HN 0.602 nan 8.370 nan 0.000 0.464 162 E N 0.364 120.566 120.200 0.003 0.000 2.086 162 E HA -0.195 4.155 4.350 -0.000 0.000 0.200 162 E C 1.941 178.543 176.600 0.003 0.000 1.012 162 E CA 1.589 57.991 56.400 0.004 0.000 0.812 162 E CB -0.515 29.188 29.700 0.004 0.000 0.743 162 E HN 0.757 nan 8.360 nan 0.000 0.453 163 G N 0.516 109.317 108.800 0.002 0.000 2.440 163 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.218 163 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.218 163 G C 1.700 176.598 174.900 -0.003 0.000 1.154 163 G CA 0.910 46.010 45.100 0.000 0.000 0.767 163 G HN 0.331 nan 8.290 nan 0.000 0.552 164 c N -0.015 118.581 118.600 -0.006 0.000 2.409 164 c HA 0.076 4.646 4.570 -0.000 0.000 0.284 164 c C 2.474 176.556 174.090 -0.012 0.000 1.354 164 c CA 0.484 56.805 56.329 -0.013 0.000 1.787 164 c CB -0.743 41.759 42.510 -0.014 0.000 1.900 164 c HN 0.400 nan 8.230 nan 0.000 0.520 165 R N 0.054 120.553 120.500 -0.002 0.000 2.507 165 R HA 0.134 4.474 4.340 -0.000 0.000 0.298 165 R C -0.119 176.190 176.300 0.015 0.000 0.999 165 R CA -0.022 56.082 56.100 0.006 0.000 1.082 165 R CB 0.316 30.626 30.300 0.017 0.000 1.246 165 R HN 0.351 nan 8.270 nan 0.000 0.553 166 S N 0.775 116.479 115.700 0.008 0.000 2.437 166 S HA 0.329 4.799 4.470 -0.000 0.000 0.305 166 S C 0.164 174.768 174.600 0.008 0.000 1.109 166 S CA -0.789 57.418 58.200 0.011 0.000 1.099 166 S CB 1.532 64.737 63.200 0.008 0.000 1.004 166 S HN 0.298 nan 8.310 nan 0.000 0.475 167 R N -0.186 120.324 120.500 0.015 0.000 3.651 167 R HA -0.122 4.218 4.340 -0.000 0.000 0.292 167 R C -0.745 175.557 176.300 0.003 0.000 1.161 167 R CA 0.115 56.222 56.100 0.012 0.000 0.787 167 R CB -2.298 28.007 30.300 0.008 0.000 1.249 167 R HN 0.474 nan 8.270 nan 0.000 0.476 168 V N 1.302 121.216 119.914 -0.001 0.000 2.572 168 V HA -0.052 4.068 4.120 -0.000 0.000 0.291 168 V C 1.690 177.777 176.094 -0.013 0.000 1.039 168 V CA 0.877 63.165 62.300 -0.020 0.000 1.055 168 V CB 1.553 33.354 31.823 -0.037 0.000 0.969 168 V HN 0.366 nan 8.190 nan 0.000 0.482 169 Q N 4.509 124.310 119.800 0.002 0.000 2.387 169 Q HA 0.110 4.450 4.340 -0.000 0.000 0.212 169 Q C -0.040 176.011 176.000 0.085 0.000 0.925 169 Q CA 0.233 56.058 55.803 0.036 0.000 0.901 169 Q CB 0.490 29.264 28.738 0.059 0.000 1.020 169 Q HN 0.743 nan 8.270 nan 0.000 0.545 170 Y N 0.736 120.999 120.300 -0.062 0.000 2.361 170 Y HA 0.522 5.072 4.550 -0.000 0.000 0.337 170 Y C -1.879 173.928 175.900 -0.156 0.000 0.965 170 Y CA -1.370 56.703 58.100 -0.044 0.000 1.091 170 Y CB 1.876 40.316 38.460 -0.035 0.000 1.182 170 Y HN 0.179 nan 8.280 nan 0.000 0.450 171 L N 6.990 127.980 121.223 -0.388 0.000 2.415 171 L HA 0.438 4.778 4.340 -0.000 0.000 0.268 171 L C -1.771 174.958 176.870 -0.235 0.000 0.984 171 L CA -0.394 54.309 54.840 -0.227 0.000 0.853 171 L CB 1.309 43.265 42.059 -0.172 0.000 1.215 171 L HN 0.696 nan 8.230 nan 0.000 0.419 172 D N 4.836 125.208 120.400 -0.046 0.000 2.454 172 D HA 0.299 4.939 4.640 -0.000 0.000 0.225 172 D C -0.108 176.222 176.300 0.050 0.000 1.081 172 D CA 0.040 54.078 54.000 0.063 0.000 0.864 172 D CB 0.820 41.849 40.800 0.381 0.000 1.040 172 D HN 0.645 nan 8.370 nan 0.000 0.517 173 L N 3.717 124.944 121.223 0.007 0.000 3.017 173 L HA 0.174 4.514 4.340 -0.000 0.000 0.255 173 L C 0.913 177.796 176.870 0.020 0.000 1.247 173 L CA -0.514 54.330 54.840 0.007 0.000 1.038 173 L CB -0.097 41.954 42.059 -0.013 0.000 1.380 173 L HN 0.307 nan 8.230 nan 0.000 0.548 174 K N 0.580 121.008 120.400 0.045 0.000 2.440 174 K HA 0.101 4.421 4.320 -0.000 0.000 0.270 174 K C 0.574 177.200 176.600 0.043 0.000 0.980 174 K CA -0.278 56.047 56.287 0.063 0.000 0.953 174 K CB 0.685 33.246 32.500 0.101 0.000 0.925 174 K HN 0.111 nan 8.250 nan 0.000 0.497 175 L N 0.416 121.668 121.223 0.047 0.000 3.717 175 L HA -0.305 4.035 4.340 -0.000 0.000 0.414 175 L C -0.008 176.860 176.870 -0.004 0.000 1.228 175 L CA 0.326 55.165 54.840 -0.001 0.000 0.918 175 L CB -1.771 40.269 42.059 -0.032 0.000 1.865 175 L HN 0.816 nan 8.230 nan 0.000 0.922 176 N N 0.115 118.813 118.700 -0.002 0.000 2.786 176 N HA 0.360 5.100 4.740 -0.000 0.000 0.315 176 N C 0.147 175.702 175.510 0.076 0.000 1.359 176 N CA -0.544 52.524 53.050 0.030 0.000 0.846 176 N CB 0.541 39.044 38.487 0.027 0.000 1.117 176 N HN 0.218 nan 8.380 nan 0.000 0.541 177 E N 0.470 120.757 120.200 0.145 0.000 3.575 177 E HA 0.327 4.677 4.350 -0.000 0.000 0.201 177 E C -0.861 175.903 176.600 0.273 0.000 0.999 177 E CA -0.125 56.471 56.400 0.325 0.000 1.315 177 E CB 0.343 30.215 29.700 0.288 0.000 1.146 177 E HN 0.373 nan 8.360 nan 0.000 0.453 178 I N 1.055 121.729 120.570 0.173 0.000 2.519 178 I HA 0.045 4.215 4.170 -0.000 0.000 0.287 178 I C 0.952 177.163 176.117 0.158 0.000 1.047 178 I CA -0.020 61.347 61.300 0.112 0.000 1.381 178 I CB 0.951 38.970 38.000 0.032 0.000 1.417 178 I HN 0.104 nan 8.210 nan 0.000 0.540 179 D N 2.228 122.697 120.400 0.116 0.000 2.369 179 D HA 0.029 4.669 4.640 -0.000 0.000 0.231 179 D C 0.606 176.839 176.300 -0.110 0.000 0.967 179 D CA 1.098 55.181 54.000 0.137 0.000 0.905 179 D CB 0.389 41.309 40.800 0.199 0.000 1.044 179 D HN 0.646 nan 8.370 nan 0.000 0.487 180 T N -1.069 113.386 114.554 -0.166 0.000 2.921 180 T HA 0.559 4.909 4.350 -0.000 0.000 0.297 180 T C -0.543 174.029 174.700 -0.214 0.000 1.013 180 T CA -0.843 61.081 62.100 -0.295 0.000 0.990 180 T CB 2.255 70.913 68.868 -0.349 0.000 1.023 180 T HN -0.247 nan 8.240 nan 0.000 0.447 181 V N 3.537 123.289 119.914 -0.270 0.000 2.439 181 V HA 0.586 4.706 4.120 -0.000 0.000 0.282 181 V C -0.024 175.856 176.094 -0.357 0.000 1.039 181 V CA -0.780 61.334 62.300 -0.310 0.000 0.913 181 V CB 1.360 32.929 31.823 -0.424 0.000 0.983 181 V HN 0.987 nan 8.190 nan 0.000 0.460 182 N N 3.443 121.990 118.700 -0.256 0.000 2.626 182 N HA 0.325 5.065 4.740 -0.000 0.000 0.249 182 N C 0.324 175.784 175.510 -0.084 0.000 1.021 182 N CA -0.609 52.328 53.050 -0.188 0.000 0.886 182 N CB 0.662 39.092 38.487 -0.095 0.000 1.149 182 N HN 0.372 nan 8.380 nan 0.000 0.517 183 F N 1.997 121.929 119.950 -0.030 0.000 2.236 183 F HA -0.132 4.395 4.527 -0.000 0.000 0.302 183 F C 2.280 178.083 175.800 0.005 0.000 1.073 183 F CA 1.251 59.271 58.000 0.034 0.000 1.336 183 F CB -0.720 38.297 39.000 0.030 0.000 1.040 183 F HN 0.667 nan 8.300 nan 0.000 0.507 184 A N -0.389 122.509 122.820 0.130 0.000 2.019 184 A HA -0.202 4.117 4.320 -0.000 0.000 0.219 184 A C 2.023 179.639 177.584 0.053 0.000 1.164 184 A CA 1.538 53.603 52.037 0.048 0.000 0.644 184 A CB -0.731 18.276 19.000 0.012 0.000 0.805 184 A HN 0.417 nan 8.150 nan 0.000 0.449 185 E N -0.955 119.283 120.200 0.063 0.000 2.516 185 E HA 0.094 4.444 4.350 -0.000 0.000 0.199 185 E C 0.463 177.108 176.600 0.075 0.000 1.069 185 E CA 0.189 56.617 56.400 0.047 0.000 0.876 185 E CB -0.025 29.687 29.700 0.021 0.000 0.843 185 E HN 0.572 nan 8.360 nan 0.000 0.530 186 L N -0.698 120.607 121.223 0.138 0.000 3.168 186 L HA 0.317 4.657 4.340 -0.000 0.000 0.277 186 L C 1.479 178.460 176.870 0.185 0.000 1.245 186 L CA -0.225 54.723 54.840 0.180 0.000 1.035 186 L CB 0.554 42.780 42.059 0.279 0.000 1.399 186 L HN 0.084 nan 8.230 nan 0.000 0.580 187 A N 0.433 123.299 122.820 0.077 0.000 2.015 187 A HA -0.044 4.276 4.320 -0.000 0.000 0.219 187 A C 2.209 179.802 177.584 0.016 0.000 1.163 187 A CA 1.518 53.552 52.037 -0.005 0.000 0.646 187 A CB -0.120 18.857 19.000 -0.039 0.000 0.806 187 A HN 0.385 nan 8.150 nan 0.000 0.448 188 A N -0.797 122.044 122.820 0.035 0.000 2.252 188 A HA 0.259 4.579 4.320 -0.000 0.000 0.207 188 A C 1.445 179.055 177.584 0.043 0.000 1.194 188 A CA 1.103 53.156 52.037 0.027 0.000 0.809 188 A CB -0.301 18.711 19.000 0.020 0.000 0.814 188 A HN 0.322 nan 8.150 nan 0.000 0.482 189 S N -0.678 115.073 115.700 0.085 0.000 2.749 189 S HA 0.080 4.550 4.470 -0.000 0.000 0.246 189 S C 1.404 176.118 174.600 0.189 0.000 1.023 189 S CA 0.286 58.550 58.200 0.107 0.000 1.012 189 S CB 0.342 63.602 63.200 0.099 0.000 0.942 189 S HN 0.571 nan 8.310 nan 0.000 0.531 190 S N 2.606 118.386 115.700 0.135 0.000 2.380 190 S HA -0.175 4.295 4.470 -0.000 0.000 0.229 190 S C 1.086 175.759 174.600 0.123 0.000 1.043 190 S CA 1.406 59.661 58.200 0.091 0.000 1.038 190 S CB -0.187 62.970 63.200 -0.072 0.000 0.872 190 S HN 0.496 nan 8.310 nan 0.000 0.456 191 D N 0.200 120.642 120.400 0.069 0.000 2.340 191 D HA 0.148 4.788 4.640 -0.000 0.000 0.217 191 D C 1.403 177.729 176.300 0.043 0.000 1.081 191 D CA 0.815 54.843 54.000 0.046 0.000 0.842 191 D CB 0.482 41.295 40.800 0.022 0.000 0.934 191 D HN 0.648 nan 8.370 nan 0.000 0.511 192 T N -2.622 111.963 114.554 0.052 0.000 3.010 192 T HA 0.104 4.454 4.350 -0.000 0.000 0.253 192 T C 0.629 175.334 174.700 0.008 0.000 0.939 192 T CA -0.359 61.758 62.100 0.029 0.000 0.910 192 T CB 0.409 69.293 68.868 0.026 0.000 1.226 192 T HN -0.098 nan 8.240 nan 0.000 0.508 193 L N 2.791 124.013 121.223 -0.000 0.000 2.477 193 L HA 0.377 4.717 4.340 -0.000 0.000 0.272 193 L C 0.760 177.535 176.870 -0.158 0.000 1.157 193 L CA 0.637 55.417 54.840 -0.099 0.000 0.889 193 L CB 0.320 42.255 42.059 -0.208 0.000 1.158 193 L HN 0.230 nan 8.230 nan 0.000 0.473 194 E N 3.205 123.300 120.200 -0.175 0.000 2.453 194 E HA 0.203 4.553 4.350 -0.000 0.000 0.211 194 E C -0.580 175.634 176.600 -0.643 0.000 0.897 194 E CA -0.031 56.175 56.400 -0.324 0.000 1.063 194 E CB 0.517 30.093 29.700 -0.207 0.000 1.080 194 E HN 0.578 nan 8.360 nan 0.000 0.512 195 H N 0.211 119.150 119.070 -0.219 0.000 2.877 195 H HA 0.342 4.898 4.556 -0.000 0.000 0.347 195 H C -1.520 173.506 175.328 -0.504 0.000 1.042 195 H CA -0.741 55.078 56.048 -0.381 0.000 1.276 195 H CB 2.175 31.614 29.762 -0.538 0.000 1.681 195 H HN -0.056 nan 8.280 nan 0.000 0.521 196 L N 4.000 125.055 121.223 -0.279 0.000 2.406 196 L HA 0.370 4.710 4.340 -0.000 0.000 0.270 196 L C -0.958 175.822 176.870 -0.149 0.000 0.982 196 L CA -0.448 54.247 54.840 -0.241 0.000 0.843 196 L CB 1.282 43.211 42.059 -0.217 0.000 1.225 196 L HN 0.472 nan 8.230 nan 0.000 0.412 197 N N 5.192 123.799 118.700 -0.154 0.000 2.424 197 N HA 0.452 5.192 4.740 -0.000 0.000 0.271 197 N C -0.496 175.003 175.510 -0.019 0.000 0.985 197 N CA -0.211 52.804 53.050 -0.059 0.000 0.921 197 N CB 1.323 39.779 38.487 -0.051 0.000 1.149 197 N HN 0.800 nan 8.380 nan 0.000 0.492 198 L N 2.421 123.650 121.223 0.010 0.000 3.333 198 L HA 0.174 4.514 4.340 -0.000 0.000 0.299 198 L C 0.936 177.809 176.870 0.006 0.000 1.256 198 L CA -0.278 54.562 54.840 -0.001 0.000 1.037 198 L CB 0.250 42.299 42.059 -0.016 0.000 1.423 198 L HN 0.578 nan 8.230 nan 0.000 0.605 199 Q N -0.460 119.362 119.800 0.037 0.000 2.524 199 Q HA -0.072 4.268 4.340 -0.000 0.000 0.246 199 Q C -0.371 175.661 176.000 0.054 0.000 1.063 199 Q CA -0.160 55.654 55.803 0.018 0.000 0.945 199 Q CB 0.268 29.052 28.738 0.075 0.000 1.292 199 Q HN 0.218 nan 8.270 nan 0.000 0.518 200 Y N -0.093 120.155 120.300 -0.087 0.000 3.225 200 Y HA -0.331 4.218 4.550 -0.000 0.000 0.211 200 Y C 0.010 175.720 175.900 -0.318 0.000 1.223 200 Y CA 1.180 59.177 58.100 -0.171 0.000 1.284 200 Y CB -1.810 36.581 38.460 -0.115 0.000 1.367 200 Y HN 0.669 nan 8.280 nan 0.000 0.566 201 N N -0.992 117.568 118.700 -0.232 0.000 2.849 201 N HA 0.512 5.252 4.740 -0.000 0.000 0.307 201 N C -0.151 174.898 175.510 -0.767 0.000 1.370 201 N CA -0.253 52.538 53.050 -0.432 0.000 0.790 201 N CB 0.320 38.721 38.487 -0.143 0.000 1.117 201 N HN 0.017 nan 8.380 nan 0.000 0.495 202 F N 0.718 120.705 119.950 0.062 0.000 2.605 202 F HA 0.476 5.003 4.527 -0.000 0.000 0.391 202 F C -0.383 175.479 175.800 0.103 0.000 1.429 202 F CA -0.327 57.720 58.000 0.077 0.000 1.138 202 F CB 0.223 39.272 39.000 0.083 0.000 1.198 202 F HN 0.074 nan 8.300 nan 0.000 0.516 203 I N 1.127 121.781 120.570 0.141 0.000 2.371 203 I HA 0.070 4.240 4.170 -0.000 0.000 0.290 203 I C 0.593 176.762 176.117 0.088 0.000 1.028 203 I CA -0.361 60.974 61.300 0.059 0.000 1.345 203 I CB 0.794 38.774 38.000 -0.033 0.000 1.407 203 I HN 0.372 nan 8.210 nan 0.000 0.501 204 Y N 2.296 122.611 120.300 0.026 0.000 2.563 204 Y HA 0.517 5.067 4.550 -0.000 0.000 0.250 204 Y C -0.390 175.514 175.900 0.006 0.000 1.126 204 Y CA -0.798 57.312 58.100 0.017 0.000 1.231 204 Y CB 0.446 38.915 38.460 0.015 0.000 1.288 204 Y HN 0.429 nan 8.280 nan 0.000 0.537 205 D N 0.530 120.603 120.400 -0.545 0.000 2.947 205 D HA 0.579 5.219 4.640 -0.000 0.000 0.224 205 D C -1.619 174.515 176.300 -0.276 0.000 1.230 205 D CA -0.374 53.429 54.000 -0.328 0.000 0.871 205 D CB 2.872 43.447 40.800 -0.375 0.000 1.671 205 D HN -0.025 nan 8.370 nan 0.000 0.507 206 V N 2.965 122.775 119.914 -0.173 0.000 2.823 206 V HA 0.731 4.851 4.120 -0.000 0.000 0.312 206 V C -0.468 175.499 176.094 -0.212 0.000 1.072 206 V CA -0.733 61.395 62.300 -0.286 0.000 0.937 206 V CB 2.115 33.745 31.823 -0.323 0.000 1.013 206 V HN 0.626 nan 8.190 nan 0.000 0.430 207 K N 1.727 121.961 120.400 -0.277 0.000 2.578 207 K HA 0.663 4.983 4.320 -0.000 0.000 0.269 207 K C -0.719 175.838 176.600 -0.071 0.000 0.941 207 K CA 0.228 56.444 56.287 -0.119 0.000 0.847 207 K CB 2.246 34.692 32.500 -0.090 0.000 1.397 207 K HN 1.564 nan 8.250 nan 0.000 0.422 208 G N 2.557 111.376 108.800 0.030 0.000 2.697 208 G HA2 0.001 3.961 3.960 -0.000 0.000 0.684 208 G HA3 0.001 3.961 3.960 -0.000 0.000 0.684 208 G C -1.916 173.047 174.900 0.105 0.000 1.274 208 G CA -0.940 44.203 45.100 0.072 0.000 0.806 208 G HN 0.338 nan 8.290 nan 0.000 0.644 209 Q N 0.106 119.916 119.800 0.017 0.000 2.333 209 Q HA 0.693 5.033 4.340 -0.000 0.000 0.265 209 Q C -0.348 175.565 176.000 -0.144 0.000 0.989 209 Q CA -0.675 55.099 55.803 -0.049 0.000 0.842 209 Q CB 2.388 31.100 28.738 -0.043 0.000 1.262 209 Q HN 0.861 nan 8.270 nan 0.000 0.451 210 V N 1.976 121.709 119.914 -0.301 0.000 2.777 210 V HA 0.300 4.420 4.120 -0.000 0.000 0.306 210 V C -0.319 175.398 176.094 -0.628 0.000 1.112 210 V CA -0.913 61.089 62.300 -0.495 0.000 0.917 210 V CB 2.495 33.865 31.823 -0.754 0.000 1.018 210 V HN 0.501 nan 8.190 nan 0.000 0.426 211 V N 4.809 124.456 119.914 -0.445 0.000 2.372 211 V HA 0.302 4.422 4.120 -0.000 0.000 0.261 211 V C -0.323 175.564 176.094 -0.345 0.000 1.055 211 V CA -0.018 62.089 62.300 -0.321 0.000 0.930 211 V CB 0.153 31.873 31.823 -0.171 0.000 1.031 211 V HN 0.649 nan 8.190 nan 0.000 0.479 212 F N 4.036 123.897 119.950 -0.147 0.000 2.499 212 F HA 0.415 4.942 4.527 -0.000 0.000 0.353 212 F C 1.500 177.245 175.800 -0.092 0.000 1.196 212 F CA -0.529 57.390 58.000 -0.135 0.000 1.244 212 F CB 0.467 39.354 39.000 -0.189 0.000 1.577 212 F HN 0.599 nan 8.300 nan 0.000 0.614 213 A N 2.404 125.273 122.820 0.081 0.000 2.032 213 A HA -0.191 4.129 4.320 -0.000 0.000 0.221 213 A C 2.072 179.683 177.584 0.046 0.000 1.165 213 A CA 1.644 53.707 52.037 0.043 0.000 0.645 213 A CB -0.262 18.750 19.000 0.020 0.000 0.807 213 A HN 0.636 nan 8.150 nan 0.000 0.453 214 K N -1.644 118.787 120.400 0.052 0.000 2.402 214 K HA 0.273 4.593 4.320 -0.000 0.000 0.204 214 K C -0.406 176.170 176.600 -0.040 0.000 1.056 214 K CA -0.439 55.853 56.287 0.009 0.000 1.069 214 K CB 0.279 32.782 32.500 0.004 0.000 0.888 214 K HN 0.344 nan 8.250 nan 0.000 0.546 215 L N 2.272 123.472 121.223 -0.038 0.000 2.562 215 L HA -0.044 4.296 4.340 -0.000 0.000 0.271 215 L C 0.814 177.623 176.870 -0.101 0.000 1.167 215 L CA 0.778 55.535 54.840 -0.137 0.000 0.917 215 L CB 0.406 42.357 42.059 -0.181 0.000 1.187 215 L HN 0.001 nan 8.230 nan 0.000 0.482 216 K N 1.857 122.132 120.400 -0.207 0.000 2.214 216 K HA 0.143 4.462 4.320 -0.000 0.000 0.201 216 K C 0.308 176.888 176.600 -0.033 0.000 1.049 216 K CA 0.972 57.182 56.287 -0.128 0.000 0.978 216 K CB 0.289 32.660 32.500 -0.214 0.000 0.842 216 K HN 0.756 nan 8.250 nan 0.000 0.474 217 T N -0.662 113.820 114.554 -0.121 0.000 2.909 217 T HA 0.560 4.910 4.350 -0.000 0.000 0.299 217 T C -1.427 173.311 174.700 0.063 0.000 1.073 217 T CA -0.970 61.179 62.100 0.083 0.000 0.999 217 T CB 1.806 70.686 68.868 0.019 0.000 1.098 217 T HN -0.046 nan 8.240 nan 0.000 0.477 218 L N 2.198 123.566 121.223 0.241 0.000 2.406 218 L HA 0.745 5.085 4.340 -0.000 0.000 0.272 218 L C -1.700 175.377 176.870 0.345 0.000 0.980 218 L CA -0.308 54.646 54.840 0.190 0.000 0.831 218 L CB 1.968 44.139 42.059 0.188 0.000 1.253 218 L HN 0.880 nan 8.230 nan 0.000 0.406 219 D N 4.872 125.421 120.400 0.249 0.000 2.462 219 D HA 0.310 4.950 4.640 -0.000 0.000 0.245 219 D C -0.155 176.248 176.300 0.173 0.000 1.122 219 D CA -0.052 54.146 54.000 0.330 0.000 0.864 219 D CB 1.193 42.155 40.800 0.271 0.000 1.098 219 D HN 0.696 nan 8.370 nan 0.000 0.541 220 L N 2.503 123.815 121.223 0.148 0.000 2.769 220 L HA 0.121 4.461 4.340 -0.000 0.000 0.240 220 L C 0.898 177.766 176.870 -0.003 0.000 1.163 220 L CA -0.255 54.628 54.840 0.072 0.000 0.962 220 L CB 0.139 42.269 42.059 0.118 0.000 1.258 220 L HN 0.329 nan 8.230 nan 0.000 0.513 221 S N -0.942 114.758 115.700 0.001 0.000 2.550 221 S HA -0.051 4.418 4.470 -0.000 0.000 0.285 221 S C 0.889 175.341 174.600 -0.248 0.000 1.326 221 S CA -0.096 58.047 58.200 -0.095 0.000 1.037 221 S CB 0.584 63.761 63.200 -0.037 0.000 0.838 221 S HN 0.320 nan 8.310 nan 0.000 0.519 222 S N 2.142 117.650 115.700 -0.321 0.000 3.524 222 S HA -0.139 4.331 4.470 -0.000 0.000 0.377 222 S C 0.170 174.583 174.600 -0.312 0.000 0.949 222 S CA 0.733 58.667 58.200 -0.444 0.000 1.264 222 S CB -1.906 60.643 63.200 -1.085 0.000 0.918 222 S HN 0.814 nan 8.310 nan 0.000 0.517 223 N N 0.798 119.397 118.700 -0.168 0.000 3.312 223 N HA 0.419 5.159 4.740 -0.000 0.000 0.361 223 N C 0.231 175.724 175.510 -0.027 0.000 1.476 223 N CA -0.758 52.239 53.050 -0.089 0.000 0.669 223 N CB 0.634 39.090 38.487 -0.053 0.000 1.629 223 N HN 0.223 nan 8.380 nan 0.000 0.612 224 K N 0.743 121.165 120.400 0.038 0.000 2.706 224 K HA 0.383 4.703 4.320 -0.000 0.000 0.203 224 K C -0.355 176.293 176.600 0.080 0.000 1.102 224 K CA -0.101 56.228 56.287 0.070 0.000 1.058 224 K CB 0.618 33.201 32.500 0.138 0.000 0.779 224 K HN 0.295 nan 8.250 nan 0.000 0.483 225 L N 0.990 122.239 121.223 0.042 0.000 2.456 225 L HA 0.059 4.399 4.340 -0.000 0.000 0.272 225 L C 1.163 178.064 176.870 0.051 0.000 1.189 225 L CA 0.103 54.975 54.840 0.052 0.000 0.846 225 L CB 0.943 43.021 42.059 0.032 0.000 1.111 225 L HN 0.300 nan 8.230 nan 0.000 0.475 226 A N 3.682 126.564 122.820 0.103 0.000 2.324 226 A HA 0.189 4.509 4.320 -0.000 0.000 0.220 226 A C -0.064 177.713 177.584 0.323 0.000 1.209 226 A CA 0.115 52.254 52.037 0.171 0.000 0.918 226 A CB 0.500 19.578 19.000 0.130 0.000 0.959 226 A HN 0.488 nan 8.150 nan 0.000 0.507 227 F N -0.420 119.556 119.950 0.044 0.000 2.653 227 F HA 0.498 5.025 4.527 -0.000 0.000 0.327 227 F C -0.665 175.134 175.800 -0.002 0.000 1.195 227 F CA -1.413 56.625 58.000 0.064 0.000 0.993 227 F CB 1.369 40.399 39.000 0.051 0.000 1.259 227 F HN -0.003 nan 8.300 nan 0.000 0.478 228 M N 6.184 125.555 119.600 -0.382 0.000 3.042 228 M HA 0.328 4.808 4.480 -0.000 0.000 0.283 228 M C 0.508 176.248 176.300 -0.934 0.000 1.473 228 M CA 0.187 55.027 55.300 -0.766 0.000 1.583 228 M CB -0.821 31.349 32.600 -0.717 0.000 1.221 228 M HN 0.817 nan 8.290 nan 0.000 0.518 229 G N 2.984 111.201 108.800 -0.972 0.000 2.531 229 G HA2 0.346 4.305 3.960 -0.000 0.000 0.281 229 G HA3 0.346 4.305 3.960 -0.000 0.000 0.281 229 G C -2.150 172.664 174.900 -0.143 0.000 1.382 229 G CA -1.004 43.524 45.100 -0.954 0.000 1.045 229 G HN 0.398 nan 8.290 nan 0.000 0.533 230 P HA -0.167 nan 4.420 nan 0.000 0.217 230 P C 1.701 179.058 177.300 0.095 0.000 1.148 230 P CA 1.602 64.742 63.100 0.068 0.000 0.834 230 P CB 0.084 31.836 31.700 0.086 0.000 0.783 231 E N -0.467 119.805 120.200 0.121 0.000 2.333 231 E HA -0.166 4.184 4.350 -0.000 0.000 0.198 231 E C 1.304 177.990 176.600 0.144 0.000 1.007 231 E CA 0.968 57.447 56.400 0.132 0.000 0.845 231 E CB -1.322 28.439 29.700 0.100 0.000 0.766 231 E HN 0.310 nan 8.360 nan 0.000 0.507 232 F N 1.331 121.323 119.950 0.070 0.000 2.816 232 F HA 0.048 4.575 4.527 -0.000 0.000 0.302 232 F C 2.277 178.029 175.800 -0.079 0.000 1.178 232 F CA 0.250 58.292 58.000 0.070 0.000 1.421 232 F CB 0.191 39.233 39.000 0.070 0.000 1.114 232 F HN -0.062 nan 8.300 nan 0.000 0.573 233 Q N -0.435 119.378 119.800 0.022 0.000 2.436 233 Q HA -0.073 4.267 4.340 -0.000 0.000 0.209 233 Q C 2.176 178.103 176.000 -0.122 0.000 0.965 233 Q CA 0.635 56.377 55.803 -0.101 0.000 0.910 233 Q CB -0.091 28.602 28.738 -0.074 0.000 0.980 233 Q HN 0.287 nan 8.270 nan 0.000 0.491 234 S N 0.212 115.822 115.700 -0.151 0.000 2.423 234 S HA -0.048 4.422 4.470 -0.000 0.000 0.231 234 S C 1.350 175.893 174.600 -0.095 0.000 1.014 234 S CA 0.944 58.989 58.200 -0.258 0.000 0.965 234 S CB 0.122 62.980 63.200 -0.571 0.000 0.785 234 S HN 0.399 nan 8.310 nan 0.000 0.495 235 A N 0.132 122.916 122.820 -0.060 0.000 2.713 235 A HA 0.754 5.074 4.320 -0.000 0.000 0.296 235 A C 1.513 179.192 177.584 0.158 0.000 1.255 235 A CA 0.324 52.406 52.037 0.074 0.000 0.955 235 A CB -0.252 18.826 19.000 0.130 0.000 1.149 235 A HN 0.334 nan 8.150 nan 0.000 0.538 236 A N -0.340 122.470 122.820 -0.016 0.000 2.015 236 A HA 0.147 4.467 4.320 -0.000 0.000 0.219 236 A C 2.037 179.718 177.584 0.162 0.000 1.163 236 A CA 1.665 53.632 52.037 -0.116 0.000 0.646 236 A CB -0.563 18.319 19.000 -0.196 0.000 0.806 236 A HN 0.821 nan 8.150 nan 0.000 0.448 237 G N -0.234 108.648 108.800 0.136 0.000 2.744 237 G HA2 0.271 4.231 3.960 -0.000 0.000 0.211 237 G HA3 0.271 4.231 3.960 -0.000 0.000 0.211 237 G C 0.777 175.782 174.900 0.176 0.000 1.143 237 G CA 0.641 45.825 45.100 0.140 0.000 0.788 237 G HN 0.824 nan 8.290 nan 0.000 0.534 238 V N -2.042 118.016 119.914 0.240 0.000 3.096 238 V HA 0.387 4.507 4.120 -0.000 0.000 0.306 238 V C 1.241 177.478 176.094 0.239 0.000 1.088 238 V CA 0.605 63.039 62.300 0.223 0.000 1.129 238 V CB 0.978 32.959 31.823 0.263 0.000 1.014 238 V HN 0.034 nan 8.190 nan 0.000 0.486 239 T N 1.748 116.437 114.554 0.225 0.000 2.976 239 T HA 0.092 4.442 4.350 -0.000 0.000 0.257 239 T C -0.031 174.873 174.700 0.340 0.000 1.051 239 T CA 1.212 63.457 62.100 0.241 0.000 1.141 239 T CB -0.073 68.924 68.868 0.215 0.000 0.881 239 T HN 0.820 nan 8.240 nan 0.000 0.461 240 W N 0.859 122.232 121.300 0.121 0.000 2.839 240 W HA 0.689 5.349 4.660 -0.000 0.000 0.334 240 W C -1.842 174.754 176.519 0.128 0.000 1.064 240 W CA -1.052 56.361 57.345 0.113 0.000 1.236 240 W CB 1.188 30.639 29.460 -0.017 0.000 1.405 240 W HN -0.046 nan 8.180 nan 0.000 0.478 241 I N 5.405 126.031 120.570 0.093 0.000 2.644 241 I HA 0.441 4.611 4.170 -0.000 0.000 0.291 241 I C -1.448 174.451 176.117 -0.363 0.000 1.180 241 I CA -0.223 61.118 61.300 0.070 0.000 1.040 241 I CB 2.062 40.151 38.000 0.147 0.000 1.255 241 I HN 0.235 nan 8.210 nan 0.000 0.422 242 S N 6.392 121.963 115.700 -0.215 0.000 2.532 242 S HA 0.644 5.114 4.470 -0.000 0.000 0.299 242 S C -0.507 174.026 174.600 -0.112 0.000 1.105 242 S CA -0.441 57.608 58.200 -0.252 0.000 1.018 242 S CB 1.436 64.523 63.200 -0.189 0.000 1.021 242 S HN 0.619 nan 8.310 nan 0.000 0.483 243 L N 4.033 125.125 121.223 -0.220 0.000 3.110 243 L HA 0.438 4.778 4.340 -0.000 0.000 0.266 243 L C 0.951 177.701 176.870 -0.200 0.000 1.257 243 L CA -0.118 54.617 54.840 -0.176 0.000 1.038 243 L CB 0.049 41.972 42.059 -0.227 0.000 1.395 243 L HN 0.620 nan 8.230 nan 0.000 0.566 244 R N 0.723 121.115 120.500 -0.180 0.000 2.740 244 R HA -0.121 4.219 4.340 -0.000 0.000 0.263 244 R C 0.341 176.548 176.300 -0.154 0.000 0.997 244 R CA 0.333 56.338 56.100 -0.158 0.000 1.108 244 R CB 0.215 30.459 30.300 -0.093 0.000 0.969 244 R HN 0.280 nan 8.270 nan 0.000 0.431 245 N N 1.625 120.239 118.700 -0.143 0.000 2.701 245 N HA -0.259 4.481 4.740 -0.000 0.000 0.252 245 N C -0.984 174.439 175.510 -0.146 0.000 1.002 245 N CA 1.136 54.105 53.050 -0.135 0.000 0.758 245 N CB -1.000 37.410 38.487 -0.127 0.000 0.937 245 N HN 0.559 nan 8.380 nan 0.000 0.538 246 N N 0.535 119.141 118.700 -0.158 0.000 2.669 246 N HA 0.277 5.017 4.740 -0.000 0.000 0.306 246 N C 0.329 175.759 175.510 -0.132 0.000 1.352 246 N CA -0.365 52.607 53.050 -0.130 0.000 0.886 246 N CB 0.535 38.948 38.487 -0.122 0.000 1.107 246 N HN -0.018 nan 8.380 nan 0.000 0.534 247 K N 1.311 121.647 120.400 -0.107 0.000 3.202 247 K HA 0.373 4.692 4.320 -0.000 0.000 0.206 247 K C -0.605 175.924 176.600 -0.118 0.000 1.142 247 K CA -0.128 56.100 56.287 -0.099 0.000 0.979 247 K CB 0.139 32.626 32.500 -0.022 0.000 0.863 247 K HN 0.370 nan 8.250 nan 0.000 0.479 248 L N 0.539 121.600 121.223 -0.270 0.000 2.397 248 L HA 0.164 4.504 4.340 -0.000 0.000 0.271 248 L C 1.253 177.888 176.870 -0.392 0.000 1.148 248 L CA -0.268 54.392 54.840 -0.300 0.000 0.825 248 L CB 1.137 42.913 42.059 -0.472 0.000 1.117 248 L HN -0.046 nan 8.230 nan 0.000 0.456 249 V N 2.980 122.848 119.914 -0.075 0.000 3.251 249 V HA 0.227 4.347 4.120 -0.000 0.000 0.239 249 V C 0.202 176.400 176.094 0.174 0.000 1.332 249 V CA 0.169 62.455 62.300 -0.024 0.000 1.224 249 V CB 0.823 32.554 31.823 -0.153 0.000 1.004 249 V HN 0.418 nan 8.190 nan 0.000 0.464 250 L N 0.810 122.206 121.223 0.289 0.000 2.362 250 L HA 0.612 4.952 4.340 -0.000 0.000 0.271 250 L C -1.191 175.913 176.870 0.390 0.000 1.002 250 L CA -0.472 54.568 54.840 0.334 0.000 0.818 250 L CB 2.489 44.739 42.059 0.318 0.000 1.298 250 L HN 0.088 nan 8.230 nan 0.000 0.420 251 I N 1.470 122.164 120.570 0.206 0.000 2.406 251 I HA 0.184 4.354 4.170 -0.000 0.000 0.290 251 I C -0.021 176.173 176.117 0.129 0.000 0.999 251 I CA -0.736 60.570 61.300 0.011 0.000 1.124 251 I CB 2.110 39.906 38.000 -0.340 0.000 1.289 251 I HN 0.574 nan 8.210 nan 0.000 0.441 252 E N 6.590 126.852 120.200 0.104 0.000 2.493 252 E HA -0.085 4.264 4.350 -0.000 0.000 0.255 252 E C 1.107 177.815 176.600 0.180 0.000 0.999 252 E CA 0.198 56.717 56.400 0.197 0.000 0.934 252 E CB 0.718 30.470 29.700 0.086 0.000 0.940 252 E HN 0.595 nan 8.360 nan 0.000 0.473 253 K N 3.912 124.431 120.400 0.199 0.000 2.211 253 K HA -0.099 4.221 4.320 -0.000 0.000 0.203 253 K C 1.394 178.104 176.600 0.184 0.000 1.050 253 K CA 1.158 57.572 56.287 0.211 0.000 0.945 253 K CB -0.041 32.538 32.500 0.132 0.000 0.732 253 K HN 0.376 nan 8.250 nan 0.000 0.451 254 A N 1.784 124.691 122.820 0.144 0.000 2.209 254 A HA 0.119 4.439 4.320 -0.000 0.000 0.212 254 A C 0.956 178.597 177.584 0.095 0.000 1.158 254 A CA 0.046 52.143 52.037 0.100 0.000 0.742 254 A CB -0.467 18.581 19.000 0.081 0.000 0.790 254 A HN 0.263 nan 8.150 nan 0.000 0.472 255 L N 1.131 122.446 121.223 0.153 0.000 2.490 255 L HA 0.092 4.432 4.340 -0.000 0.000 0.274 255 L C 0.219 177.148 176.870 0.099 0.000 1.201 255 L CA 0.075 54.988 54.840 0.121 0.000 0.869 255 L CB 0.280 42.494 42.059 0.258 0.000 1.123 255 L HN 0.244 nan 8.230 nan 0.000 0.484 256 R N 4.387 124.863 120.500 -0.039 0.000 2.407 256 R HA 0.344 4.683 4.340 -0.000 0.000 0.298 256 R C -1.071 175.189 176.300 -0.067 0.000 1.166 256 R CA -0.520 55.571 56.100 -0.015 0.000 1.006 256 R CB 0.818 31.109 30.300 -0.015 0.000 1.145 256 R HN 0.288 nan 8.270 nan 0.000 0.538 257 F N 0.723 120.719 119.950 0.077 0.000 2.399 257 F HA 0.176 4.703 4.527 -0.000 0.000 0.342 257 F C 1.340 177.161 175.800 0.035 0.000 1.106 257 F CA 0.387 58.435 58.000 0.081 0.000 1.196 257 F CB 0.831 39.890 39.000 0.097 0.000 1.163 257 F HN 0.272 nan 8.300 nan 0.000 0.547 258 S N 1.494 117.331 115.700 0.228 0.000 2.572 258 S HA -0.075 4.395 4.470 -0.000 0.000 0.267 258 S C 1.195 175.870 174.600 0.125 0.000 1.361 258 S CA -0.512 57.773 58.200 0.143 0.000 1.009 258 S CB 0.544 63.824 63.200 0.133 0.000 0.888 258 S HN 0.731 nan 8.310 nan 0.000 0.553 259 Q N 1.046 120.891 119.800 0.075 0.000 2.291 259 Q HA -0.094 4.246 4.340 -0.000 0.000 0.205 259 Q C 0.980 177.018 176.000 0.063 0.000 0.970 259 Q CA 0.915 56.748 55.803 0.051 0.000 0.876 259 Q CB -0.363 28.394 28.738 0.031 0.000 0.935 259 Q HN 0.445 nan 8.270 nan 0.000 0.455 260 N N 0.849 119.600 118.700 0.085 0.000 2.334 260 N HA -0.089 4.651 4.740 -0.000 0.000 0.187 260 N C 0.192 175.770 175.510 0.115 0.000 1.016 260 N CA 0.493 53.601 53.050 0.096 0.000 0.879 260 N CB -0.234 38.316 38.487 0.105 0.000 0.965 260 N HN 0.287 nan 8.380 nan 0.000 0.438 261 L N 1.176 122.471 121.223 0.121 0.000 2.453 261 L HA 0.016 4.356 4.340 -0.000 0.000 0.272 261 L C 0.880 177.801 176.870 0.085 0.000 1.182 261 L CA 0.794 55.704 54.840 0.115 0.000 0.858 261 L CB 0.545 42.636 42.059 0.054 0.000 1.120 261 L HN 0.132 nan 8.230 nan 0.000 0.474 262 E N 1.854 122.131 120.200 0.130 0.000 2.576 262 E HA 0.087 4.437 4.350 -0.000 0.000 0.214 262 E C -0.708 175.983 176.600 0.152 0.000 0.859 262 E CA -0.133 56.343 56.400 0.125 0.000 1.399 262 E CB 0.693 30.491 29.700 0.164 0.000 1.374 262 E HN 0.706 nan 8.360 nan 0.000 0.718 263 H N -0.337 118.754 119.070 0.034 0.000 2.689 263 H HA 0.425 4.981 4.556 -0.000 0.000 0.346 263 H C -1.891 173.368 175.328 -0.115 0.000 1.037 263 H CA -0.817 55.171 56.048 -0.101 0.000 1.234 263 H CB 1.000 30.595 29.762 -0.278 0.000 1.572 263 H HN -0.020 nan 8.280 nan 0.000 0.524 264 F N 5.382 125.126 119.950 -0.343 0.000 3.228 264 F HA 0.193 4.720 4.527 -0.000 0.000 0.390 264 F C -1.698 174.015 175.800 -0.144 0.000 1.235 264 F CA -0.717 57.162 58.000 -0.203 0.000 1.236 264 F CB 0.707 39.632 39.000 -0.125 0.000 1.855 264 F HN 0.510 nan 8.300 nan 0.000 0.647 265 D N 5.412 125.567 120.400 -0.408 0.000 2.317 265 D HA 0.358 4.998 4.640 -0.000 0.000 0.234 265 D C 0.043 176.075 176.300 -0.446 0.000 1.112 265 D CA -0.009 53.821 54.000 -0.283 0.000 0.840 265 D CB 1.312 41.949 40.800 -0.272 0.000 1.078 265 D HN 0.696 nan 8.370 nan 0.000 0.486 266 L N 3.354 124.177 121.223 -0.667 0.000 3.229 266 L HA 0.272 4.612 4.340 -0.000 0.000 0.286 266 L C 0.952 177.436 176.870 -0.645 0.000 1.239 266 L CA -0.393 53.956 54.840 -0.818 0.000 1.035 266 L CB 0.313 41.767 42.059 -1.009 0.000 1.408 266 L HN 0.107 nan 8.230 nan 0.000 0.593 267 R N 0.375 120.667 120.500 -0.346 0.000 2.756 267 R HA 0.255 4.595 4.340 -0.000 0.000 0.264 267 R C 1.240 177.475 176.300 -0.108 0.000 1.026 267 R CA 0.914 56.975 56.100 -0.064 0.000 1.121 267 R CB 0.087 30.433 30.300 0.076 0.000 0.999 267 R HN 0.266 nan 8.270 nan 0.000 0.449 268 G N 0.807 109.570 108.800 -0.061 0.000 2.143 268 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.249 268 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.249 268 G C 0.017 174.820 174.900 -0.163 0.000 0.981 268 G CA 0.007 45.054 45.100 -0.087 0.000 0.665 268 G HN 0.665 nan 8.290 nan 0.000 0.528 269 N N -0.205 118.339 118.700 -0.261 0.000 2.593 269 N HA 0.583 5.323 4.740 -0.000 0.000 0.304 269 N C 0.557 175.855 175.510 -0.352 0.000 1.296 269 N CA 0.237 53.027 53.050 -0.434 0.000 0.950 269 N CB 1.057 38.986 38.487 -0.930 0.000 1.127 269 N HN 0.493 nan 8.380 nan 0.000 0.587 270 G N 0.825 109.357 108.800 -0.448 0.000 4.332 270 G HA2 0.415 4.375 3.960 -0.000 0.000 0.321 270 G HA3 0.415 4.375 3.960 -0.000 0.000 0.321 270 G C -1.089 173.697 174.900 -0.189 0.000 1.439 270 G CA -0.295 44.667 45.100 -0.230 0.000 0.900 270 G HN 0.211 nan 8.290 nan 0.000 0.515 271 F N 1.117 121.051 119.950 -0.027 0.000 2.429 271 F HA 0.315 4.842 4.527 -0.000 0.000 0.348 271 F C 0.927 176.746 175.800 0.030 0.000 1.109 271 F CA -0.610 57.378 58.000 -0.020 0.000 1.232 271 F CB 1.057 40.036 39.000 -0.035 0.000 1.157 271 F HN 0.440 nan 8.300 nan 0.000 0.564 272 H N 2.416 121.565 119.070 0.131 0.000 2.668 272 H HA 0.191 4.747 4.556 -0.000 0.000 0.303 272 H C 0.638 175.992 175.328 0.043 0.000 1.074 272 H CA -1.264 54.809 56.048 0.043 0.000 1.406 272 H CB 0.746 30.487 29.762 -0.034 0.000 1.442 272 H HN 0.748 nan 8.280 nan 0.000 0.482 273 c N 3.496 122.022 118.600 -0.123 0.000 2.403 273 c HA -0.135 4.435 4.570 -0.000 0.000 0.279 273 c C 2.883 176.728 174.090 -0.409 0.000 1.269 273 c CA 1.305 57.536 56.329 -0.163 0.000 1.774 273 c CB -1.431 41.101 42.510 0.037 0.000 1.993 273 c HN 1.044 nan 8.230 nan 0.000 0.496 274 G N 1.165 109.435 108.800 -0.884 0.000 2.547 274 G HA2 -0.349 3.611 3.960 -0.000 0.000 0.221 274 G HA3 -0.349 3.611 3.960 -0.000 0.000 0.221 274 G C 1.694 176.381 174.900 -0.355 0.000 1.140 274 G CA 2.243 46.976 45.100 -0.612 0.000 0.760 274 G HN 0.641 nan 8.290 nan 0.000 0.583 275 T N -1.120 113.236 114.554 -0.331 0.000 3.009 275 T HA 0.224 4.574 4.350 -0.000 0.000 0.258 275 T C 2.405 176.913 174.700 -0.320 0.000 1.063 275 T CA 0.503 62.488 62.100 -0.191 0.000 1.139 275 T CB -0.193 68.649 68.868 -0.044 0.000 0.890 275 T HN 0.175 nan 8.240 nan 0.000 0.471 276 L N 0.803 121.731 121.223 -0.493 0.000 1.978 276 L HA -0.177 4.163 4.340 -0.000 0.000 0.218 276 L C 3.292 179.604 176.870 -0.930 0.000 1.075 276 L CA 1.896 56.247 54.840 -0.815 0.000 0.767 276 L CB -0.645 40.969 42.059 -0.742 0.000 0.890 276 L HN 0.223 nan 8.230 nan 0.000 0.434 277 R N 0.500 120.417 120.500 -0.971 0.000 2.103 277 R HA -0.221 4.119 4.340 -0.000 0.000 0.242 277 R C 1.643 177.814 176.300 -0.214 0.000 1.142 277 R CA 2.437 58.169 56.100 -0.613 0.000 0.960 277 R CB -0.524 29.665 30.300 -0.186 0.000 0.858 277 R HN 0.408 nan 8.270 nan 0.000 0.439 278 D N -0.934 119.365 120.400 -0.169 0.000 2.224 278 D HA -0.086 4.554 4.640 -0.000 0.000 0.205 278 D C 1.327 177.627 176.300 -0.001 0.000 0.965 278 D CA 0.802 54.774 54.000 -0.047 0.000 0.852 278 D CB -0.120 40.672 40.800 -0.014 0.000 0.947 278 D HN 0.263 nan 8.370 nan 0.000 0.494 279 F N -0.203 119.626 119.950 -0.200 0.000 2.274 279 F HA 0.038 4.565 4.527 -0.000 0.000 0.288 279 F C 1.578 177.352 175.800 -0.043 0.000 1.069 279 F CA 0.580 58.493 58.000 -0.145 0.000 1.343 279 F CB -0.228 38.629 39.000 -0.239 0.000 1.089 279 F HN -0.214 nan 8.300 nan 0.000 0.517 280 F N 1.429 121.202 119.950 -0.296 0.000 2.236 280 F HA -0.180 4.347 4.527 -0.000 0.000 0.302 280 F C 3.043 178.698 175.800 -0.241 0.000 1.073 280 F CA 1.056 58.855 58.000 -0.335 0.000 1.336 280 F CB -1.824 37.086 39.000 -0.150 0.000 1.040 280 F HN 0.248 nan 8.300 nan 0.000 0.507 281 S N -0.076 115.629 115.700 0.010 0.000 2.399 281 S HA -0.175 4.295 4.470 -0.000 0.000 0.231 281 S C 1.516 176.094 174.600 -0.038 0.000 1.022 281 S CA 1.152 59.359 58.200 0.011 0.000 0.983 281 S CB -0.348 62.863 63.200 0.019 0.000 0.803 281 S HN 0.458 nan 8.310 nan 0.000 0.480 282 K N 0.925 121.270 120.400 -0.091 0.000 2.537 282 K HA 0.331 4.651 4.320 -0.000 0.000 0.206 282 K C -0.563 175.947 176.600 -0.150 0.000 1.041 282 K CA -0.154 56.080 56.287 -0.088 0.000 1.090 282 K CB 0.500 32.973 32.500 -0.044 0.000 0.833 282 K HN 0.299 nan 8.250 nan 0.000 0.493 283 N N 1.583 120.131 118.700 -0.253 0.000 2.672 283 N HA 0.053 4.793 4.740 -0.000 0.000 0.295 283 N C 0.227 175.598 175.510 -0.232 0.000 1.924 283 N CA 0.007 52.886 53.050 -0.285 0.000 0.851 283 N CB 1.078 39.216 38.487 -0.581 0.000 1.281 283 N HN 0.153 nan 8.380 nan 0.000 0.494 284 Q N 0.654 120.364 119.800 -0.151 0.000 2.045 284 Q HA -0.158 4.182 4.340 -0.000 0.000 0.206 284 Q C 1.813 177.691 176.000 -0.203 0.000 0.991 284 Q CA 1.316 57.033 55.803 -0.143 0.000 0.851 284 Q CB 0.033 28.713 28.738 -0.096 0.000 0.911 284 Q HN 0.385 nan 8.270 nan 0.000 0.418 285 R N 0.249 120.651 120.500 -0.164 0.000 2.191 285 R HA -0.238 4.101 4.340 -0.000 0.000 0.248 285 R C 2.258 178.416 176.300 -0.237 0.000 1.127 285 R CA 2.199 58.202 56.100 -0.163 0.000 0.943 285 R CB -0.681 29.549 30.300 -0.116 0.000 0.891 285 R HN 0.169 nan 8.270 nan 0.000 0.439 286 V N 0.816 120.557 119.914 -0.288 0.000 2.660 286 V HA -0.285 3.834 4.120 -0.000 0.000 0.257 286 V C 2.402 178.229 176.094 -0.444 0.000 1.088 286 V CA 2.029 64.096 62.300 -0.388 0.000 1.106 286 V CB -0.633 30.896 31.823 -0.491 0.000 0.686 286 V HN 0.472 nan 8.190 nan 0.000 0.481 287 Q N -0.059 119.367 119.800 -0.623 0.000 2.079 287 Q HA -0.189 4.151 4.340 -0.000 0.000 0.200 287 Q C 2.254 177.970 176.000 -0.473 0.000 0.974 287 Q CA 2.131 57.387 55.803 -0.913 0.000 0.840 287 Q CB -0.092 28.029 28.738 -1.029 0.000 0.898 287 Q HN 0.682 nan 8.270 nan 0.000 0.430 288 T N -0.072 114.289 114.554 -0.322 0.000 2.904 288 T HA -0.053 4.297 4.350 -0.000 0.000 0.267 288 T C 1.833 176.433 174.700 -0.167 0.000 1.059 288 T CA 0.930 62.904 62.100 -0.210 0.000 1.137 288 T CB -0.060 68.714 68.868 -0.157 0.000 0.879 288 T HN 0.069 nan 8.240 nan 0.000 0.467 289 V N 1.798 121.609 119.914 -0.172 0.000 2.343 289 V HA -0.183 3.937 4.120 -0.000 0.000 0.247 289 V C 2.892 178.939 176.094 -0.078 0.000 1.051 289 V CA 1.721 63.953 62.300 -0.114 0.000 1.036 289 V CB -1.132 30.616 31.823 -0.125 0.000 0.654 289 V HN 0.540 nan 8.190 nan 0.000 0.451 290 A N -0.403 122.365 122.820 -0.086 0.000 1.902 290 A HA -0.268 4.052 4.320 -0.000 0.000 0.217 290 A C 2.370 179.865 177.584 -0.148 0.000 1.181 290 A CA 2.178 54.214 52.037 -0.002 0.000 0.623 290 A CB -0.490 18.525 19.000 0.024 0.000 0.818 290 A HN 0.506 nan 8.150 nan 0.000 0.443 291 K N -0.564 119.725 120.400 -0.185 0.000 2.057 291 K HA -0.186 4.134 4.320 -0.000 0.000 0.206 291 K C 2.174 178.704 176.600 -0.117 0.000 1.050 291 K CA 1.721 57.906 56.287 -0.170 0.000 0.935 291 K CB -0.200 32.205 32.500 -0.159 0.000 0.715 291 K HN 0.609 nan 8.250 nan 0.000 0.439 292 Q N -0.408 119.334 119.800 -0.097 0.000 2.167 292 Q HA -0.080 4.260 4.340 -0.000 0.000 0.202 292 Q C 1.836 177.800 176.000 -0.061 0.000 0.970 292 Q CA 1.783 57.548 55.803 -0.064 0.000 0.855 292 Q CB 0.174 28.883 28.738 -0.047 0.000 0.911 292 Q HN 0.354 nan 8.270 nan 0.000 0.438 293 T N 0.013 114.510 114.554 -0.095 0.000 2.737 293 T HA -0.098 4.252 4.350 -0.000 0.000 0.265 293 T C 1.958 176.592 174.700 -0.109 0.000 1.038 293 T CA 1.287 63.289 62.100 -0.164 0.000 1.144 293 T CB -0.164 68.533 68.868 -0.286 0.000 0.866 293 T HN 0.058 nan 8.240 nan 0.000 0.434 294 V N 1.705 121.577 119.914 -0.071 0.000 2.407 294 V HA -0.147 3.973 4.120 -0.000 0.000 0.248 294 V C 2.458 178.543 176.094 -0.015 0.000 1.055 294 V CA 1.663 63.949 62.300 -0.023 0.000 1.049 294 V CB -0.579 31.224 31.823 -0.035 0.000 0.662 294 V HN 0.356 nan 8.190 nan 0.000 0.455 295 K N 1.216 121.597 120.400 -0.032 0.000 2.057 295 K HA -0.202 4.118 4.320 -0.000 0.000 0.207 295 K C 2.188 178.790 176.600 0.004 0.000 1.049 295 K CA 1.834 58.111 56.287 -0.017 0.000 0.931 295 K CB -0.362 32.120 32.500 -0.029 0.000 0.714 295 K HN 0.406 nan 8.250 nan 0.000 0.440 296 K N 0.159 120.564 120.400 0.008 0.000 2.063 296 K HA -0.126 4.194 4.320 -0.000 0.000 0.208 296 K C 1.892 178.524 176.600 0.053 0.000 1.048 296 K CA 1.644 57.954 56.287 0.038 0.000 0.928 296 K CB -0.076 32.461 32.500 0.061 0.000 0.713 296 K HN 0.206 nan 8.250 nan 0.000 0.442 297 L N -0.218 121.032 121.223 0.045 0.000 2.162 297 L HA -0.043 4.297 4.340 -0.000 0.000 0.205 297 L C 2.544 179.449 176.870 0.058 0.000 1.086 297 L CA 1.450 56.331 54.840 0.068 0.000 0.778 297 L CB -0.154 41.947 42.059 0.070 0.000 0.928 297 L HN 0.450 nan 8.230 nan 0.000 0.446 298 T N -4.969 109.611 114.554 0.043 0.000 2.987 298 T HA 0.300 4.650 4.350 -0.000 0.000 0.248 298 T C 1.386 176.105 174.700 0.032 0.000 0.997 298 T CA 0.749 62.874 62.100 0.043 0.000 1.013 298 T CB 1.176 70.073 68.868 0.047 0.000 1.077 298 T HN 0.347 nan 8.240 nan 0.000 0.483 299 G N 0.532 109.345 108.800 0.022 0.000 2.284 299 G HA2 -0.092 3.868 3.960 -0.000 0.000 0.201 299 G HA3 -0.092 3.868 3.960 -0.000 0.000 0.201 299 G C -0.182 174.721 174.900 0.004 0.000 0.998 299 G CA -0.049 45.059 45.100 0.014 0.000 0.651 299 G HN 0.746 nan 8.290 nan 0.000 0.489 300 Q N -0.538 119.264 119.800 0.002 0.000 2.416 300 Q HA 0.630 4.970 4.340 -0.000 0.000 0.279 300 Q C -0.024 175.961 176.000 -0.025 0.000 1.101 300 Q CA -0.714 55.082 55.803 -0.012 0.000 0.830 300 Q CB 1.020 29.755 28.738 -0.006 0.000 1.402 300 Q HN 0.213 nan 8.270 nan 0.000 0.445 301 N N 0.644 119.315 118.700 -0.049 0.000 2.346 301 N HA 0.093 4.833 4.740 -0.000 0.000 0.225 301 N C -1.325 174.129 175.510 -0.094 0.000 1.144 301 N CA -0.095 52.911 53.050 -0.074 0.000 0.837 301 N CB 0.194 38.630 38.487 -0.085 0.000 1.069 301 N HN 0.455 nan 8.380 nan 0.000 0.487 302 E N -1.324 118.841 120.200 -0.058 0.000 2.388 302 E HA 0.137 4.487 4.350 -0.000 0.000 0.281 302 E C -1.406 175.256 176.600 0.103 0.000 1.046 302 E CA -1.229 55.160 56.400 -0.019 0.000 0.825 302 E CB 0.670 30.275 29.700 -0.158 0.000 1.243 302 E HN 0.223 nan 8.360 nan 0.000 0.438 303 E N 1.112 121.451 120.200 0.232 0.000 2.366 303 E HA 0.160 4.510 4.350 -0.000 0.000 0.266 303 E C -0.590 176.153 176.600 0.238 0.000 1.051 303 E CA -0.697 55.840 56.400 0.227 0.000 0.884 303 E CB 0.922 30.789 29.700 0.279 0.000 1.006 303 E HN 0.454 nan 8.360 nan 0.000 0.417 304 E N 2.324 122.617 120.200 0.155 0.000 1.774 304 E HA 0.047 4.397 4.350 -0.000 0.000 0.265 304 E C -0.428 176.231 176.600 0.098 0.000 1.207 304 E CA -0.442 56.037 56.400 0.130 0.000 1.054 304 E CB -0.147 29.605 29.700 0.086 0.000 1.074 304 E HN 0.474 nan 8.360 nan 0.000 0.433 305 c N 1.972 120.621 118.600 0.082 0.000 2.494 305 c HA -0.113 4.457 4.570 -0.000 0.000 0.399 305 c C 2.454 176.561 174.090 0.028 0.000 1.388 305 c CA 0.281 56.617 56.329 0.013 0.000 1.657 305 c CB -0.250 42.231 42.510 -0.049 0.000 2.585 305 c HN 0.747 nan 8.230 nan 0.000 0.601 306 T N 0.486 115.049 114.554 0.014 0.000 2.699 306 T HA -0.114 4.236 4.350 -0.000 0.000 0.268 306 T C 0.442 175.152 174.700 0.017 0.000 1.036 306 T CA 1.291 63.401 62.100 0.015 0.000 1.147 306 T CB -0.321 68.550 68.868 0.005 0.000 0.862 306 T HN 0.534 nan 8.240 nan 0.000 0.446 307 V N 3.256 123.177 119.914 0.013 0.000 2.357 307 V HA 0.288 4.408 4.120 -0.000 0.000 0.284 307 V C -1.605 174.505 176.094 0.027 0.000 1.018 307 V CA -1.893 60.418 62.300 0.018 0.000 0.841 307 V CB 1.499 33.330 31.823 0.013 0.000 0.991 307 V HN 0.055 nan 8.190 nan 0.000 0.437 308 P HA -0.214 nan 4.420 nan 0.000 0.218 308 P C 1.825 179.160 177.300 0.058 0.000 1.154 308 P CA 1.566 64.700 63.100 0.057 0.000 0.872 308 P CB 0.155 31.884 31.700 0.047 0.000 0.790 309 T N -1.500 113.079 114.554 0.041 0.000 2.946 309 T HA -0.157 4.193 4.350 -0.000 0.000 0.270 309 T C 0.648 175.375 174.700 0.045 0.000 1.129 309 T CA 0.416 62.539 62.100 0.039 0.000 1.103 309 T CB -0.773 68.112 68.868 0.028 0.000 0.839 309 T HN -0.142 nan 8.240 nan 0.000 0.544 310 L N 0.754 122.002 121.223 0.041 0.000 2.334 310 L HA 0.651 4.991 4.340 -0.000 0.000 0.277 310 L C 0.502 177.386 176.870 0.023 0.000 1.075 310 L CA -0.238 54.612 54.840 0.016 0.000 0.804 310 L CB 1.323 43.371 42.059 -0.019 0.000 1.174 310 L HN 0.050 nan 8.230 nan 0.000 0.438 311 G N 1.415 110.237 108.800 0.037 0.000 2.416 311 G HA2 0.498 4.457 3.960 -0.000 0.000 0.329 311 G HA3 0.498 4.457 3.960 -0.000 0.000 0.329 311 G C -1.047 173.912 174.900 0.099 0.000 1.173 311 G CA -0.440 44.739 45.100 0.133 0.000 0.929 311 G HN 0.688 nan 8.290 nan 0.000 0.475 312 H N -0.355 118.774 119.070 0.098 0.000 2.534 312 H HA 0.427 4.983 4.556 -0.000 0.000 0.364 312 H C -1.208 174.236 175.328 0.193 0.000 1.328 312 H CA -0.341 55.792 56.048 0.141 0.000 1.415 312 H CB 1.000 30.820 29.762 0.096 0.000 1.573 312 H HN 0.544 nan 8.280 nan 0.000 0.601 313 Y N 0.398 120.834 120.300 0.226 0.000 2.373 313 Y HA 0.387 4.937 4.550 -0.000 0.000 0.327 313 Y C 0.671 176.709 175.900 0.230 0.000 1.036 313 Y CA 0.265 58.474 58.100 0.182 0.000 1.265 313 Y CB 0.102 38.642 38.460 0.134 0.000 1.108 313 Y HN 1.008 nan 8.280 nan 0.000 0.471 314 G N 3.161 112.146 108.800 0.309 0.000 2.536 314 G HA2 -0.359 3.601 3.960 -0.000 0.000 0.277 314 G HA3 -0.359 3.601 3.960 -0.000 0.000 0.277 314 G C 0.688 175.633 174.900 0.076 0.000 1.155 314 G CA 0.285 45.468 45.100 0.139 0.000 0.960 314 G HN 1.304 nan 8.290 nan 0.000 0.544 315 A N -1.462 121.336 122.820 -0.037 0.000 2.229 315 A HA 0.647 4.967 4.320 -0.000 0.000 0.211 315 A C 0.383 177.890 177.584 -0.129 0.000 1.193 315 A CA 0.780 52.693 52.037 -0.207 0.000 0.879 315 A CB 0.308 19.026 19.000 -0.470 0.000 0.911 315 A HN 0.804 nan 8.150 nan 0.000 0.492 316 Y N -0.008 120.459 120.300 0.279 0.000 2.335 316 Y HA 0.379 4.929 4.550 -0.000 0.000 0.339 316 Y C 0.801 176.791 175.900 0.150 0.000 0.987 316 Y CA -2.036 56.196 58.100 0.221 0.000 1.140 316 Y CB 0.009 38.573 38.460 0.173 0.000 1.173 316 Y HN 0.168 nan 8.280 nan 0.000 0.486 317 c N 3.416 122.098 118.600 0.138 0.000 2.250 317 c HA 0.182 4.752 4.570 -0.000 0.000 0.389 317 c C 1.009 175.164 174.090 0.107 0.000 1.488 317 c CA -0.479 55.784 56.329 -0.110 0.000 1.514 317 c CB -2.111 40.352 42.510 -0.078 0.000 2.546 317 c HN 1.055 nan 8.230 nan 0.000 0.579 318 c N 2.003 120.640 118.600 0.062 0.000 3.293 318 c HA 0.949 5.519 4.570 -0.000 0.000 0.362 318 c C -1.159 172.995 174.090 0.108 0.000 1.539 318 c CA -0.564 55.852 56.329 0.144 0.000 1.201 318 c CB 1.551 44.168 42.510 0.179 0.000 1.770 318 c HN 0.934 nan 8.230 nan 0.000 0.440 319 E N 0.065 120.349 120.200 0.140 0.000 2.597 319 E HA 0.241 4.591 4.350 -0.000 0.000 0.310 319 E C -1.961 174.776 176.600 0.228 0.000 0.970 319 E CA -0.250 56.229 56.400 0.131 0.000 0.819 319 E CB 1.056 30.802 29.700 0.078 0.000 1.267 319 E HN 0.744 nan 8.360 nan 0.000 0.411 320 D N 4.425 124.949 120.400 0.206 0.000 2.357 320 D HA 0.147 4.787 4.640 -0.000 0.000 0.265 320 D C -0.429 175.904 176.300 0.055 0.000 1.334 320 D CA 0.570 54.731 54.000 0.268 0.000 0.984 320 D CB 0.201 41.104 40.800 0.172 0.000 1.077 320 D HN 0.296 nan 8.370 nan 0.000 0.514 321 L N 4.297 125.410 121.223 -0.183 0.000 2.296 321 L HA 0.247 4.587 4.340 -0.000 0.000 0.286 321 L C -1.069 175.598 176.870 -0.340 0.000 1.023 321 L CA -1.674 53.011 54.840 -0.259 0.000 0.812 321 L CB 1.772 43.668 42.059 -0.272 0.000 1.223 321 L HN 0.098 nan 8.230 nan 0.000 0.421 322 P HA -0.110 nan 4.420 nan 0.000 0.214 322 P C -0.102 177.089 177.300 -0.181 0.000 1.163 322 P CA 0.848 63.858 63.100 -0.151 0.000 0.883 322 P CB 0.312 31.957 31.700 -0.092 0.000 0.788 323 A N -2.462 120.247 122.820 -0.185 0.000 2.730 323 A HA 0.376 4.696 4.320 -0.000 0.000 0.280 323 A C -2.328 175.145 177.584 -0.184 0.000 1.307 323 A CA -0.619 51.310 52.037 -0.180 0.000 0.933 323 A CB -0.154 18.787 19.000 -0.099 0.000 1.431 323 A HN -0.057 nan 8.150 nan 0.000 0.601 324 P HA -0.092 nan 4.420 nan 0.000 0.216 324 P C 1.272 178.466 177.300 -0.176 0.000 1.153 324 P CA 1.143 64.079 63.100 -0.273 0.000 0.848 324 P CB -0.043 31.401 31.700 -0.426 0.000 0.787 325 F N 0.542 120.458 119.950 -0.056 0.000 2.113 325 F HA -0.040 4.487 4.527 -0.000 0.000 0.297 325 F C 2.560 178.336 175.800 -0.040 0.000 1.103 325 F CA 0.771 58.743 58.000 -0.047 0.000 1.248 325 F CB -1.884 37.083 39.000 -0.054 0.000 0.999 325 F HN -0.100 nan 8.300 nan 0.000 0.475 326 A N 0.043 122.937 122.820 0.123 0.000 1.908 326 A HA -0.194 4.126 4.320 -0.000 0.000 0.218 326 A C 2.025 179.631 177.584 0.036 0.000 1.181 326 A CA 2.090 54.163 52.037 0.061 0.000 0.627 326 A CB -0.869 18.146 19.000 0.025 0.000 0.818 326 A HN 0.304 nan 8.150 nan 0.000 0.445 327 D N -0.887 119.521 120.400 0.012 0.000 2.219 327 D HA -0.079 4.561 4.640 -0.000 0.000 0.205 327 D C 2.147 178.456 176.300 0.017 0.000 0.970 327 D CA 0.868 54.869 54.000 0.002 0.000 0.851 327 D CB -0.236 40.552 40.800 -0.020 0.000 0.943 327 D HN 0.426 nan 8.370 nan 0.000 0.488 328 R N -0.018 120.506 120.500 0.040 0.000 2.092 328 R HA -0.074 4.266 4.340 -0.000 0.000 0.231 328 R C 2.122 178.441 176.300 0.032 0.000 1.119 328 R CA 0.453 56.578 56.100 0.043 0.000 0.970 328 R CB -0.203 30.146 30.300 0.082 0.000 0.864 328 R HN 0.080 nan 8.270 nan 0.000 0.440 329 L N 0.891 122.138 121.223 0.040 0.000 2.109 329 L HA -0.052 4.288 4.340 -0.000 0.000 0.207 329 L C 1.794 178.678 176.870 0.022 0.000 1.086 329 L CA 1.562 56.416 54.840 0.024 0.000 0.760 329 L CB -0.306 41.769 42.059 0.027 0.000 0.910 329 L HN 0.163 nan 8.230 nan 0.000 0.437 330 I N -0.449 120.135 120.570 0.023 0.000 2.286 330 I HA -0.306 3.864 4.170 -0.000 0.000 0.248 330 I C 2.502 178.632 176.117 0.023 0.000 1.115 330 I CA 1.167 62.480 61.300 0.023 0.000 1.392 330 I CB -0.549 37.460 38.000 0.014 0.000 1.065 330 I HN 0.347 nan 8.210 nan 0.000 0.418 331 A N 0.935 123.763 122.820 0.014 0.000 1.898 331 A HA -0.117 4.203 4.320 -0.000 0.000 0.216 331 A C 2.285 179.871 177.584 0.004 0.000 1.181 331 A CA 1.109 53.151 52.037 0.008 0.000 0.620 331 A CB -0.701 18.301 19.000 0.003 0.000 0.819 331 A HN 0.342 nan 8.150 nan 0.000 0.442 332 L N -0.387 120.835 121.223 -0.002 0.000 1.989 332 L HA -0.226 4.114 4.340 -0.000 0.000 0.211 332 L C 2.543 179.405 176.870 -0.013 0.000 1.071 332 L CA 1.643 56.473 54.840 -0.018 0.000 0.749 332 L CB -0.566 41.476 42.059 -0.028 0.000 0.890 332 L HN 0.299 nan 8.230 nan 0.000 0.431 333 K N -0.058 120.358 120.400 0.026 0.000 2.147 333 K HA -0.198 4.122 4.320 -0.000 0.000 0.205 333 K C 2.102 178.785 176.600 0.138 0.000 1.049 333 K CA 1.043 57.388 56.287 0.096 0.000 0.936 333 K CB -0.329 32.269 32.500 0.163 0.000 0.722 333 K HN 0.290 nan 8.250 nan 0.000 0.446 334 R N 1.850 122.397 120.500 0.078 0.000 2.080 334 R HA -0.166 4.174 4.340 -0.000 0.000 0.236 334 R C 2.092 178.408 176.300 0.027 0.000 1.137 334 R CA 1.871 58.009 56.100 0.062 0.000 0.943 334 R CB -0.033 30.287 30.300 0.033 0.000 0.846 334 R HN 0.060 nan 8.270 nan 0.000 0.431 335 K N 0.123 120.518 120.400 -0.008 0.000 2.113 335 K HA -0.221 4.099 4.320 -0.000 0.000 0.208 335 K C 2.070 178.625 176.600 -0.075 0.000 1.047 335 K CA 1.898 58.165 56.287 -0.034 0.000 0.928 335 K CB -0.123 32.352 32.500 -0.042 0.000 0.716 335 K HN 0.348 nan 8.250 nan 0.000 0.446 336 E N -0.167 119.948 120.200 -0.141 0.000 2.107 336 E HA -0.163 4.187 4.350 -0.000 0.000 0.191 336 E C 1.234 177.628 176.600 -0.344 0.000 0.982 336 E CA 0.914 57.135 56.400 -0.298 0.000 0.809 336 E CB 0.237 29.635 29.700 -0.504 0.000 0.756 336 E HN 0.442 nan 8.360 nan 0.000 0.459 337 H N -0.871 118.186 119.070 -0.020 0.000 2.652 337 H HA 0.328 4.884 4.556 -0.000 0.000 0.274 337 H C 0.121 175.438 175.328 -0.018 0.000 1.021 337 H CA 0.384 56.420 56.048 -0.019 0.000 1.187 337 H CB 0.463 30.215 29.762 -0.018 0.000 1.505 337 H HN 0.085 nan 8.280 nan 0.000 0.530 338 A N 1.544 124.408 122.820 0.072 0.000 2.511 338 A HA 0.028 4.348 4.320 -0.000 0.000 0.242 338 A C 1.634 179.233 177.584 0.026 0.000 1.069 338 A CA -0.167 51.895 52.037 0.041 0.000 0.763 338 A CB 0.321 19.332 19.000 0.018 0.000 1.001 338 A HN 0.312 nan 8.150 nan 0.000 0.498 339 L N 3.086 124.322 121.223 0.021 0.000 2.012 339 L HA -0.059 4.281 4.340 -0.000 0.000 0.210 339 L C 0.875 177.747 176.870 0.003 0.000 1.073 339 L CA 1.704 56.550 54.840 0.011 0.000 0.748 339 L CB -0.649 41.415 42.059 0.008 0.000 0.891 339 L HN 0.655 nan 8.230 nan 0.000 0.431 340 L N -0.442 120.782 121.223 0.002 0.000 2.439 340 L HA 0.258 4.598 4.340 -0.000 0.000 0.261 340 L C 1.133 177.999 176.870 -0.007 0.000 1.153 340 L CA -0.134 54.704 54.840 -0.003 0.000 0.808 340 L CB 0.787 42.845 42.059 -0.002 0.000 1.126 340 L HN 0.270 nan 8.230 nan 0.000 0.460 348 E N 1.635 121.837 120.200 0.002 0.000 2.358 348 E HA 0.191 4.541 4.350 -0.000 0.000 0.195 348 E C 1.781 178.384 176.600 0.005 0.000 1.010 348 E CA 0.468 56.869 56.400 0.003 0.000 0.856 348 E CB -0.089 29.611 29.700 -0.001 0.000 0.795 348 E HN 0.325 nan 8.360 nan 0.000 0.504 349 R N -0.119 120.384 120.500 0.005 0.000 2.313 349 R HA 0.104 4.444 4.340 -0.000 0.000 0.199 349 R C 0.992 177.298 176.300 0.011 0.000 0.958 349 R CA 0.204 56.308 56.100 0.007 0.000 1.047 349 R CB 0.132 30.434 30.300 0.004 0.000 0.955 349 R HN 0.104 nan 8.270 nan 0.000 0.481 350 L N -0.440 120.790 121.223 0.011 0.000 2.467 350 L HA 0.107 4.447 4.340 -0.000 0.000 0.213 350 L C 2.049 178.930 176.870 0.018 0.000 1.053 350 L CA 1.252 56.100 54.840 0.014 0.000 0.847 350 L CB 0.132 42.198 42.059 0.012 0.000 1.075 350 L HN -0.062 nan 8.230 nan 0.000 0.479 351 E N -1.202 119.007 120.200 0.016 0.000 2.106 351 E HA -0.241 4.109 4.350 -0.000 0.000 0.192 351 E C 2.395 179.011 176.600 0.026 0.000 0.984 351 E CA 1.706 58.117 56.400 0.018 0.000 0.806 351 E CB -0.344 29.363 29.700 0.012 0.000 0.750 351 E HN 0.558 nan 8.360 nan 0.000 0.458 352 C N 0.201 119.516 119.300 0.025 0.000 2.489 352 C HA 0.028 4.488 4.460 -0.000 0.000 0.279 352 C C 2.603 177.617 174.990 0.041 0.000 1.266 352 C CA 1.308 60.346 59.018 0.033 0.000 1.707 352 C CB -0.987 26.766 27.740 0.023 0.000 2.059 352 C HN 0.623 nan 8.230 nan 0.000 0.481 353 E N -0.273 119.946 120.200 0.032 0.000 2.150 353 E HA -0.132 4.218 4.350 -0.000 0.000 0.193 353 E C 2.158 178.782 176.600 0.040 0.000 0.985 353 E CA 0.815 57.235 56.400 0.033 0.000 0.814 353 E CB 0.028 29.742 29.700 0.024 0.000 0.752 353 E HN 0.527 nan 8.360 nan 0.000 0.466 354 R N 0.105 120.629 120.500 0.040 0.000 2.240 354 R HA -0.012 4.328 4.340 -0.000 0.000 0.203 354 R C 1.717 178.053 176.300 0.061 0.000 1.011 354 R CA 0.561 56.687 56.100 0.044 0.000 1.007 354 R CB -0.179 30.143 30.300 0.037 0.000 0.911 354 R HN 0.291 nan 8.270 nan 0.000 0.468 355 E N 0.900 121.141 120.200 0.068 0.000 2.158 355 E HA -0.074 4.276 4.350 -0.000 0.000 0.191 355 E C 1.052 177.724 176.600 0.120 0.000 0.982 355 E CA 0.787 57.244 56.400 0.094 0.000 0.823 355 E CB 0.134 29.886 29.700 0.087 0.000 0.766 355 E HN 0.237 nan 8.360 nan 0.000 0.468 356 N N -0.249 118.510 118.700 0.099 0.000 2.409 356 N HA -0.058 4.682 4.740 -0.000 0.000 0.179 356 N C 1.369 176.921 175.510 0.071 0.000 1.032 356 N CA 0.571 53.680 53.050 0.098 0.000 0.898 356 N CB 0.224 38.758 38.487 0.078 0.000 0.971 356 N HN 0.144 nan 8.380 nan 0.000 0.441 357 Q N -0.175 119.661 119.800 0.060 0.000 2.123 357 Q HA 0.163 4.503 4.340 -0.000 0.000 0.196 357 Q C 2.112 178.137 176.000 0.041 0.000 0.958 357 Q CA 1.029 56.857 55.803 0.041 0.000 0.841 357 Q CB 0.001 28.761 28.738 0.037 0.000 0.915 357 Q HN 0.366 nan 8.270 nan 0.000 0.455 358 A N 1.331 124.197 122.820 0.075 0.000 1.917 358 A HA -0.265 4.055 4.320 -0.000 0.000 0.219 358 A C 2.015 179.618 177.584 0.032 0.000 1.182 358 A CA 1.684 53.785 52.037 0.107 0.000 0.633 358 A CB -0.506 18.613 19.000 0.197 0.000 0.819 358 A HN 0.214 nan 8.150 nan 0.000 0.448 359 R N -1.147 119.378 120.500 0.041 0.000 2.066 359 R HA -0.166 4.174 4.340 -0.000 0.000 0.232 359 R C 2.404 178.611 176.300 -0.155 0.000 1.131 359 R CA 1.827 57.853 56.100 -0.123 0.000 0.955 359 R CB -0.244 30.079 30.300 0.038 0.000 0.851 359 R HN 0.577 nan 8.270 nan 0.000 0.432 360 Q N 0.274 120.042 119.800 -0.052 0.000 2.291 360 Q HA -0.068 4.272 4.340 -0.000 0.000 0.205 360 Q C 1.798 177.765 176.000 -0.055 0.000 0.970 360 Q CA 1.315 57.094 55.803 -0.041 0.000 0.876 360 Q CB 0.135 28.871 28.738 -0.004 0.000 0.935 360 Q HN 0.233 nan 8.270 nan 0.000 0.455 361 R N -0.455 120.009 120.500 -0.059 0.000 2.115 361 R HA -0.047 4.293 4.340 -0.000 0.000 0.226 361 R C 1.783 178.027 176.300 -0.093 0.000 1.100 361 R CA 1.038 57.107 56.100 -0.051 0.000 0.980 361 R CB 0.115 30.402 30.300 -0.021 0.000 0.875 361 R HN 0.264 nan 8.270 nan 0.000 0.445 362 E N 0.630 120.714 120.200 -0.194 0.000 2.112 362 E HA -0.082 4.268 4.350 -0.000 0.000 0.190 362 E C 2.009 178.506 176.600 -0.171 0.000 0.979 362 E CA 0.778 57.026 56.400 -0.254 0.000 0.814 362 E CB 0.094 29.419 29.700 -0.625 0.000 0.762 362 E HN 0.349 nan 8.360 nan 0.000 0.460 363 I N 1.574 122.052 120.570 -0.154 0.000 2.202 363 I HA -0.260 3.910 4.170 -0.000 0.000 0.242 363 I C 1.812 177.902 176.117 -0.045 0.000 1.091 363 I CA 1.086 62.334 61.300 -0.087 0.000 1.368 363 I CB -0.200 37.761 38.000 -0.065 0.000 1.058 363 I HN -0.044 nan 8.210 nan 0.000 0.410 364 D N 1.340 121.716 120.400 -0.040 0.000 2.084 364 D HA -0.171 4.469 4.640 -0.000 0.000 0.194 364 D C 2.261 178.552 176.300 -0.016 0.000 0.990 364 D CA 1.614 55.602 54.000 -0.020 0.000 0.826 364 D CB -0.451 40.339 40.800 -0.017 0.000 0.971 364 D HN 0.318 nan 8.370 nan 0.000 0.453 365 A N 0.930 123.735 122.820 -0.026 0.000 1.903 365 A HA -0.217 4.103 4.320 -0.000 0.000 0.219 365 A C 2.308 179.889 177.584 -0.005 0.000 1.191 365 A CA 1.640 53.665 52.037 -0.020 0.000 0.638 365 A CB -1.036 17.948 19.000 -0.027 0.000 0.823 365 A HN 0.307 nan 8.150 nan 0.000 0.451 366 L N -0.944 120.285 121.223 0.010 0.000 2.027 366 L HA -0.131 4.209 4.340 -0.000 0.000 0.206 366 L C 2.442 179.389 176.870 0.128 0.000 1.074 366 L CA 1.869 56.758 54.840 0.083 0.000 0.745 366 L CB -0.300 41.811 42.059 0.087 0.000 0.898 366 L HN 0.329 nan 8.230 nan 0.000 0.433 367 K N -0.449 119.985 120.400 0.057 0.000 2.228 367 K HA -0.222 4.098 4.320 -0.000 0.000 0.205 367 K C 1.943 178.572 176.600 0.048 0.000 1.045 367 K CA 1.411 57.724 56.287 0.043 0.000 0.931 367 K CB 0.009 32.511 32.500 0.003 0.000 0.727 367 K HN 0.342 nan 8.250 nan 0.000 0.458 368 E N 0.301 120.517 120.200 0.025 0.000 2.076 368 E HA -0.151 4.199 4.350 -0.000 0.000 0.190 368 E C 1.808 178.389 176.600 -0.032 0.000 0.979 368 E CA 0.760 57.158 56.400 -0.003 0.000 0.807 368 E CB -0.015 29.674 29.700 -0.018 0.000 0.761 368 E HN 0.321 nan 8.360 nan 0.000 0.454 369 Q N -0.461 119.304 119.800 -0.059 0.000 2.500 369 Q HA -0.140 4.200 4.340 -0.000 0.000 0.213 369 Q C 0.350 176.110 176.000 -0.400 0.000 0.974 369 Q CA 0.881 56.550 55.803 -0.223 0.000 0.918 369 Q CB 0.173 28.748 28.738 -0.272 0.000 0.980 369 Q HN 0.309 nan 8.270 nan 0.000 0.505 370 Y N -0.940 119.317 120.300 -0.072 0.000 2.527 370 Y HA 0.287 4.837 4.550 -0.000 0.000 0.247 370 Y C 0.275 176.127 175.900 -0.081 0.000 1.138 370 Y CA -0.514 57.535 58.100 -0.085 0.000 1.228 370 Y CB 0.681 39.092 38.460 -0.082 0.000 1.252 370 Y HN -0.119 nan 8.280 nan 0.000 0.531 371 R N 1.093 121.620 120.500 0.046 0.000 2.570 371 R HA 0.190 4.530 4.340 -0.000 0.000 0.277 371 R C -0.351 175.941 176.300 -0.013 0.000 1.039 371 R CA 0.686 56.792 56.100 0.010 0.000 1.065 371 R CB 0.521 30.818 30.300 -0.004 0.000 0.964 371 R HN 0.016 nan 8.270 nan 0.000 0.428 372 T N 2.269 116.814 114.554 -0.015 0.000 2.949 372 T HA 0.334 4.684 4.350 -0.000 0.000 0.287 372 T C -0.720 173.967 174.700 -0.021 0.000 1.034 372 T CA -0.666 61.420 62.100 -0.024 0.000 1.018 372 T CB 1.743 70.597 68.868 -0.024 0.000 1.135 372 T HN 0.286 nan 8.240 nan 0.000 0.532 373 V N 2.283 122.183 119.914 -0.022 0.000 2.465 373 V HA 0.532 4.652 4.120 -0.000 0.000 0.279 373 V C -0.294 175.793 176.094 -0.012 0.000 1.045 373 V CA -0.359 61.930 62.300 -0.017 0.000 0.938 373 V CB 0.587 32.398 31.823 -0.020 0.000 0.986 373 V HN 0.639 nan 8.190 nan 0.000 0.467 374 I N 4.121 124.687 120.570 -0.006 0.000 2.656 374 I HA 0.342 4.512 4.170 -0.000 0.000 0.292 374 I C -0.461 175.657 176.117 0.002 0.000 1.144 374 I CA -0.619 60.681 61.300 -0.001 0.000 1.038 374 I CB 2.325 40.327 38.000 0.004 0.000 1.244 374 I HN 0.744 nan 8.210 nan 0.000 0.420 375 D N 6.048 126.451 120.400 0.004 0.000 2.304 375 D HA 0.070 4.710 4.640 -0.000 0.000 0.247 375 D C 0.314 176.619 176.300 0.009 0.000 1.089 375 D CA -0.451 53.553 54.000 0.005 0.000 0.910 375 D CB 1.599 42.402 40.800 0.005 0.000 1.199 375 D HN 0.439 nan 8.370 nan 0.000 0.426 376 Q N 1.111 120.915 119.800 0.008 0.000 2.152 376 Q HA -0.133 4.207 4.340 -0.000 0.000 0.206 376 Q C 1.966 177.973 176.000 0.012 0.000 0.985 376 Q CA 0.966 56.775 55.803 0.009 0.000 0.863 376 Q CB -0.408 28.335 28.738 0.007 0.000 0.904 376 Q HN 0.592 nan 8.270 nan 0.000 0.422 377 V N 1.287 121.208 119.914 0.012 0.000 2.871 377 V HA -0.131 3.989 4.120 -0.000 0.000 0.256 377 V C 2.165 178.269 176.094 0.018 0.000 1.082 377 V CA 2.133 64.441 62.300 0.014 0.000 1.105 377 V CB -0.379 31.452 31.823 0.013 0.000 0.713 377 V HN 0.583 nan 8.190 nan 0.000 0.473 378 T N -2.902 111.663 114.554 0.019 0.000 3.067 378 T HA 0.080 4.430 4.350 -0.000 0.000 0.257 378 T C 1.847 176.564 174.700 0.027 0.000 1.105 378 T CA 0.875 62.989 62.100 0.023 0.000 1.104 378 T CB -0.175 68.706 68.868 0.022 0.000 0.925 378 T HN 0.418 nan 8.240 nan 0.000 0.498 379 L N 0.345 121.583 121.223 0.024 0.000 2.046 379 L HA -0.001 4.339 4.340 -0.000 0.000 0.208 379 L C 3.264 180.153 176.870 0.032 0.000 1.077 379 L CA 1.384 56.241 54.840 0.029 0.000 0.747 379 L CB -0.368 41.705 42.059 0.023 0.000 0.896 379 L HN 0.242 nan 8.230 nan 0.000 0.432 380 R N -0.127 120.388 120.500 0.025 0.000 2.075 380 R HA -0.089 4.251 4.340 -0.000 0.000 0.226 380 R C 2.252 178.567 176.300 0.025 0.000 1.114 380 R CA 0.741 56.855 56.100 0.023 0.000 0.972 380 R CB -0.182 30.128 30.300 0.017 0.000 0.869 380 R HN 0.325 nan 8.270 nan 0.000 0.437 381 K N 0.953 121.369 120.400 0.026 0.000 2.103 381 K HA -0.211 4.109 4.320 -0.000 0.000 0.207 381 K C 2.184 178.807 176.600 0.038 0.000 1.048 381 K CA 1.504 57.809 56.287 0.028 0.000 0.930 381 K CB -0.034 32.483 32.500 0.028 0.000 0.716 381 K HN 0.274 nan 8.250 nan 0.000 0.444 382 Q N -0.274 119.555 119.800 0.049 0.000 2.083 382 Q HA -0.061 4.279 4.340 -0.000 0.000 0.198 382 Q C 2.083 178.127 176.000 0.074 0.000 0.969 382 Q CA 1.226 57.073 55.803 0.073 0.000 0.838 382 Q CB -0.033 28.754 28.738 0.082 0.000 0.900 382 Q HN 0.327 nan 8.270 nan 0.000 0.436 383 A N 1.109 123.962 122.820 0.056 0.000 2.067 383 A HA -0.184 4.136 4.320 -0.000 0.000 0.219 383 A C 1.905 179.505 177.584 0.026 0.000 1.158 383 A CA 1.334 53.399 52.037 0.046 0.000 0.661 383 A CB -0.295 18.727 19.000 0.036 0.000 0.801 383 A HN 0.212 nan 8.150 nan 0.000 0.452 384 K N -0.041 120.372 120.400 0.021 0.000 2.057 384 K HA -0.023 4.297 4.320 -0.000 0.000 0.206 384 K C 1.641 178.235 176.600 -0.010 0.000 1.050 384 K CA 1.527 57.816 56.287 0.004 0.000 0.935 384 K CB -0.269 32.234 32.500 0.004 0.000 0.715 384 K HN 0.462 nan 8.250 nan 0.000 0.439 385 I N 0.467 121.038 120.570 0.003 0.000 2.439 385 I HA -0.188 3.982 4.170 -0.000 0.000 0.251 385 I C 2.088 178.160 176.117 -0.074 0.000 1.139 385 I CA 0.996 62.279 61.300 -0.028 0.000 1.438 385 I CB -0.173 37.843 38.000 0.026 0.000 1.085 385 I HN 0.236 nan 8.210 nan 0.000 0.427 386 T N 1.133 115.684 114.554 -0.004 0.000 2.777 386 T HA -0.042 4.308 4.350 -0.000 0.000 0.266 386 T C 1.938 176.596 174.700 -0.070 0.000 1.040 386 T CA 1.121 63.207 62.100 -0.024 0.000 1.141 386 T CB -0.093 68.802 68.868 0.046 0.000 0.868 386 T HN 0.212 nan 8.240 nan 0.000 0.444 387 L N 0.433 121.631 121.223 -0.041 0.000 2.093 387 L HA -0.039 4.301 4.340 -0.000 0.000 0.208 387 L C 2.624 179.453 176.870 -0.069 0.000 1.085 387 L CA 1.299 56.114 54.840 -0.042 0.000 0.755 387 L CB -0.458 41.589 42.059 -0.020 0.000 0.904 387 L HN 0.284 nan 8.230 nan 0.000 0.435 388 E N -0.435 119.713 120.200 -0.086 0.000 2.118 388 E HA -0.244 4.106 4.350 -0.000 0.000 0.195 388 E C 2.306 178.812 176.600 -0.157 0.000 0.992 388 E CA 1.076 57.411 56.400 -0.108 0.000 0.804 388 E CB 0.127 29.760 29.700 -0.112 0.000 0.741 388 E HN 0.412 nan 8.360 nan 0.000 0.458 389 Q N 0.273 119.932 119.800 -0.234 0.000 2.123 389 Q HA -0.082 4.258 4.340 -0.000 0.000 0.199 389 Q C 1.931 177.842 176.000 -0.149 0.000 0.966 389 Q CA 0.904 56.539 55.803 -0.281 0.000 0.845 389 Q CB -0.090 28.319 28.738 -0.548 0.000 0.907 389 Q HN 0.225 nan 8.270 nan 0.000 0.439 390 K N 0.985 121.324 120.400 -0.102 0.000 2.097 390 K HA -0.147 4.173 4.320 -0.000 0.000 0.206 390 K C 2.090 178.661 176.600 -0.047 0.000 1.049 390 K CA 1.029 57.284 56.287 -0.054 0.000 0.933 390 K CB -0.012 32.470 32.500 -0.031 0.000 0.717 390 K HN 0.084 nan 8.250 nan 0.000 0.442 391 K N 1.670 122.037 120.400 -0.055 0.000 2.103 391 K HA -0.168 4.152 4.320 -0.000 0.000 0.204 391 K C 2.101 178.674 176.600 -0.045 0.000 1.052 391 K CA 1.361 57.623 56.287 -0.043 0.000 0.945 391 K CB 0.058 32.532 32.500 -0.043 0.000 0.722 391 K HN -0.069 nan 8.250 nan 0.000 0.443 392 K N 0.216 120.579 120.400 -0.063 0.000 2.025 392 K HA -0.080 4.240 4.320 -0.000 0.000 0.207 392 K C 2.005 178.578 176.600 -0.045 0.000 1.049 392 K CA 1.159 57.411 56.287 -0.059 0.000 0.933 392 K CB -0.207 32.244 32.500 -0.083 0.000 0.714 392 K HN 0.204 nan 8.250 nan 0.000 0.438 393 A N 1.430 124.223 122.820 -0.046 0.000 1.940 393 A HA -0.136 4.184 4.320 -0.000 0.000 0.219 393 A C 2.133 179.706 177.584 -0.019 0.000 1.176 393 A CA 1.307 53.327 52.037 -0.027 0.000 0.631 393 A CB -0.614 18.374 19.000 -0.020 0.000 0.814 393 A HN 0.355 nan 8.150 nan 0.000 0.446 394 L N -0.730 120.480 121.223 -0.020 0.000 2.056 394 L HA -0.180 4.160 4.340 -0.000 0.000 0.207 394 L C 2.179 179.040 176.870 -0.015 0.000 1.078 394 L CA 1.377 56.208 54.840 -0.015 0.000 0.749 394 L CB -0.520 41.530 42.059 -0.015 0.000 0.901 394 L HN 0.315 nan 8.230 nan 0.000 0.433 395 D N 0.033 120.422 120.400 -0.018 0.000 2.092 395 D HA -0.222 4.418 4.640 -0.000 0.000 0.193 395 D C 2.063 178.355 176.300 -0.012 0.000 0.994 395 D CA 1.243 55.234 54.000 -0.016 0.000 0.828 395 D CB -0.047 40.742 40.800 -0.019 0.000 0.963 395 D HN 0.287 nan 8.370 nan 0.000 0.450 396 E N 0.157 120.349 120.200 -0.014 0.000 2.097 396 E HA -0.232 4.118 4.350 -0.000 0.000 0.196 396 E C 2.197 178.794 176.600 -0.006 0.000 1.000 396 E CA 1.264 57.658 56.400 -0.010 0.000 0.804 396 E CB 0.021 29.715 29.700 -0.011 0.000 0.740 396 E HN 0.334 nan 8.360 nan 0.000 0.454 397 Q N -0.489 119.307 119.800 -0.007 0.000 2.062 397 Q HA -0.066 4.274 4.340 -0.000 0.000 0.196 397 Q C 2.228 178.224 176.000 -0.005 0.000 0.967 397 Q CA 0.928 56.728 55.803 -0.005 0.000 0.832 397 Q CB 0.172 28.906 28.738 -0.006 0.000 0.899 397 Q HN 0.129 nan 8.270 nan 0.000 0.442 398 V N 0.719 120.629 119.914 -0.006 0.000 2.720 398 V HA -0.226 3.894 4.120 -0.000 0.000 0.256 398 V C 2.226 178.320 176.094 0.001 0.000 1.082 398 V CA 1.938 64.234 62.300 -0.005 0.000 1.101 398 V CB -0.320 31.499 31.823 -0.007 0.000 0.693 398 V HN 0.446 nan 8.190 nan 0.000 0.479 399 S N -0.287 115.414 115.700 0.001 0.000 2.470 399 S HA -0.070 4.399 4.470 -0.000 0.000 0.222 399 S C 1.744 176.350 174.600 0.009 0.000 1.024 399 S CA 0.625 58.828 58.200 0.006 0.000 0.931 399 S CB -0.328 62.873 63.200 0.002 0.000 0.791 399 S HN 0.565 nan 8.310 nan 0.000 0.513 400 N N 2.232 120.935 118.700 0.006 0.000 2.166 400 N HA -0.010 4.730 4.740 -0.000 0.000 0.186 400 N C 1.823 177.341 175.510 0.014 0.000 1.019 400 N CA 1.428 54.483 53.050 0.008 0.000 0.856 400 N CB -1.187 37.302 38.487 0.003 0.000 0.993 400 N HN 0.613 nan 8.380 nan 0.000 0.426 401 G N 0.919 109.726 108.800 0.011 0.000 2.433 401 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.216 401 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.216 401 G C 1.601 176.527 174.900 0.043 0.000 1.186 401 G CA 0.577 45.684 45.100 0.012 0.000 0.779 401 G HN 0.286 nan 8.290 nan 0.000 0.543 402 R N 0.374 120.902 120.500 0.046 0.000 2.105 402 R HA -0.064 4.276 4.340 -0.000 0.000 0.239 402 R C 2.579 178.926 176.300 0.078 0.000 1.135 402 R CA 1.599 57.746 56.100 0.079 0.000 0.967 402 R CB -0.260 30.069 30.300 0.049 0.000 0.861 402 R HN 0.380 nan 8.270 nan 0.000 0.442 403 R N -0.157 120.371 120.500 0.047 0.000 2.073 403 R HA -0.056 4.284 4.340 -0.000 0.000 0.229 403 R C 2.094 178.420 176.300 0.044 0.000 1.120 403 R CA 1.336 57.456 56.100 0.034 0.000 0.967 403 R CB -0.260 30.051 30.300 0.018 0.000 0.862 403 R HN 0.267 nan 8.270 nan 0.000 0.436 404 A N 0.422 123.273 122.820 0.053 0.000 1.902 404 A HA -0.232 4.088 4.320 -0.000 0.000 0.217 404 A C 1.977 179.623 177.584 0.103 0.000 1.181 404 A CA 1.818 53.889 52.037 0.056 0.000 0.623 404 A CB -0.937 18.088 19.000 0.042 0.000 0.818 404 A HN 0.555 nan 8.150 nan 0.000 0.443 405 H N 0.300 119.367 119.070 -0.005 0.000 2.290 405 H HA -0.063 4.493 4.556 -0.000 0.000 0.298 405 H C 2.292 177.617 175.328 -0.003 0.000 1.087 405 H CA 2.025 58.071 56.048 -0.005 0.000 1.291 405 H CB -0.573 29.186 29.762 -0.004 0.000 1.369 405 H HN 0.379 nan 8.280 nan 0.000 0.492 406 A N 0.640 123.427 122.820 -0.055 0.000 1.908 406 A HA -0.199 4.121 4.320 -0.000 0.000 0.218 406 A C 2.324 179.871 177.584 -0.062 0.000 1.181 406 A CA 1.837 53.807 52.037 -0.113 0.000 0.627 406 A CB -0.550 18.413 19.000 -0.061 0.000 0.818 406 A HN 0.675 nan 8.150 nan 0.000 0.445 407 E N -0.125 120.065 120.200 -0.017 0.000 2.097 407 E HA -0.202 4.148 4.350 -0.000 0.000 0.196 407 E C 1.951 178.545 176.600 -0.010 0.000 1.000 407 E CA 1.361 57.755 56.400 -0.009 0.000 0.804 407 E CB -0.345 29.358 29.700 0.004 0.000 0.740 407 E HN 0.652 nan 8.360 nan 0.000 0.454 408 L N 1.077 122.302 121.223 0.003 0.000 1.994 408 L HA -0.224 4.116 4.340 -0.000 0.000 0.208 408 L C 2.147 179.007 176.870 -0.017 0.000 1.071 408 L CA 1.140 55.986 54.840 0.011 0.000 0.745 408 L CB -0.494 41.600 42.059 0.058 0.000 0.892 408 L HN 0.089 nan 8.230 nan 0.000 0.431 409 D N 0.220 120.579 120.400 -0.069 0.000 2.133 409 D HA -0.176 4.464 4.640 -0.000 0.000 0.195 409 D C 2.046 178.315 176.300 -0.052 0.000 0.997 409 D CA 1.609 55.556 54.000 -0.088 0.000 0.840 409 D CB -0.415 40.276 40.800 -0.181 0.000 0.947 409 D HN 0.405 nan 8.370 nan 0.000 0.452 410 G N -0.141 108.632 108.800 -0.047 0.000 2.433 410 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.216 410 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.216 410 G C 1.727 176.619 174.900 -0.014 0.000 1.186 410 G CA 1.524 46.607 45.100 -0.028 0.000 0.779 410 G HN 0.236 nan 8.290 nan 0.000 0.543 411 T N 1.574 116.123 114.554 -0.009 0.000 2.720 411 T HA -0.075 4.275 4.350 -0.000 0.000 0.268 411 T C 2.417 177.122 174.700 0.007 0.000 1.037 411 T CA 1.045 63.145 62.100 0.000 0.000 1.144 411 T CB -0.255 68.614 68.868 0.001 0.000 0.864 411 T HN 0.146 nan 8.240 nan 0.000 0.444 412 L N 0.746 121.972 121.223 0.005 0.000 2.191 412 L HA -0.128 4.212 4.340 -0.000 0.000 0.212 412 L C 2.788 179.666 176.870 0.012 0.000 1.103 412 L CA 1.104 55.951 54.840 0.013 0.000 0.769 412 L CB -0.438 41.627 42.059 0.009 0.000 0.908 412 L HN 0.242 nan 8.230 nan 0.000 0.438 413 Q N 0.039 119.840 119.800 0.002 0.000 2.137 413 Q HA -0.165 4.175 4.340 -0.000 0.000 0.198 413 Q C 2.143 178.149 176.000 0.009 0.000 0.960 413 Q CA 1.331 57.135 55.803 0.002 0.000 0.847 413 Q CB 0.027 28.760 28.738 -0.008 0.000 0.915 413 Q HN 0.431 nan 8.270 nan 0.000 0.448 414 Q N -0.584 119.222 119.800 0.010 0.000 2.084 414 Q HA -0.114 4.226 4.340 -0.000 0.000 0.202 414 Q C 1.987 178.006 176.000 0.031 0.000 0.978 414 Q CA 1.458 57.271 55.803 0.017 0.000 0.844 414 Q CB -0.229 28.518 28.738 0.015 0.000 0.898 414 Q HN 0.509 nan 8.270 nan 0.000 0.426 415 A N 0.702 123.546 122.820 0.039 0.000 1.855 415 A HA -0.132 4.188 4.320 -0.000 0.000 0.215 415 A C 2.229 179.848 177.584 0.058 0.000 1.191 415 A CA 1.548 53.626 52.037 0.068 0.000 0.613 415 A CB -0.949 18.097 19.000 0.077 0.000 0.829 415 A HN 0.349 nan 8.150 nan 0.000 0.442 416 V N -2.099 117.837 119.914 0.036 0.000 3.383 416 V HA 0.127 4.247 4.120 -0.000 0.000 0.272 416 V C 1.644 177.745 176.094 0.011 0.000 1.181 416 V CA 1.603 63.916 62.300 0.021 0.000 1.171 416 V CB -1.134 30.699 31.823 0.015 0.000 0.800 416 V HN 0.420 nan 8.190 nan 0.000 0.515 417 G N -0.646 108.165 108.800 0.017 0.000 3.088 417 G HA2 0.137 4.097 3.960 -0.000 0.000 0.217 417 G HA3 0.137 4.097 3.960 -0.000 0.000 0.217 417 G C 1.198 176.104 174.900 0.011 0.000 1.159 417 G CA 0.198 45.305 45.100 0.012 0.000 0.760 417 G HN 0.571 nan 8.290 nan 0.000 0.550 418 Q N -0.169 119.642 119.800 0.018 0.000 2.217 418 Q HA 0.380 4.720 4.340 -0.000 0.000 0.217 418 Q C 0.540 176.525 176.000 -0.024 0.000 0.844 418 Q CA -0.064 55.752 55.803 0.022 0.000 0.957 418 Q CB 0.683 29.462 28.738 0.069 0.000 1.127 418 Q HN 0.702 nan 8.270 nan 0.000 0.503 419 I N -4.381 116.150 120.570 -0.065 0.000 3.524 419 I HA 0.521 4.691 4.170 -0.000 0.000 0.312 419 I C -1.251 174.812 176.117 -0.091 0.000 1.203 419 I CA -1.221 59.990 61.300 -0.148 0.000 0.974 419 I CB 2.081 39.902 38.000 -0.299 0.000 1.352 419 I HN -0.284 nan 8.210 nan 0.000 0.475 420 E N 1.892 122.033 120.200 -0.098 0.000 2.279 420 E HA 0.512 4.862 4.350 -0.000 0.000 0.252 420 E C -1.781 174.794 176.600 -0.043 0.000 0.894 420 E CA -0.566 55.803 56.400 -0.052 0.000 0.785 420 E CB 1.758 31.434 29.700 -0.040 0.000 1.237 420 E HN 0.525 nan 8.360 nan 0.000 0.418 421 L N 3.157 124.368 121.223 -0.020 0.000 2.375 421 L HA 0.297 4.637 4.340 -0.000 0.000 0.271 421 L C 1.001 177.883 176.870 0.019 0.000 1.107 421 L CA -0.685 54.151 54.840 -0.006 0.000 0.806 421 L CB 1.091 43.150 42.059 0.001 0.000 1.146 421 L HN 0.500 nan 8.230 nan 0.000 0.447 422 Q N 0.328 120.140 119.800 0.020 0.000 2.523 422 Q HA -0.116 4.223 4.340 -0.000 0.000 0.283 422 Q C -0.440 175.609 176.000 0.082 0.000 1.140 422 Q CA 0.361 56.191 55.803 0.045 0.000 0.981 422 Q CB 0.281 29.037 28.738 0.030 0.000 1.310 422 Q HN 0.358 nan 8.270 nan 0.000 0.483 423 H N -0.255 118.812 119.070 -0.005 0.000 2.722 423 H HA 0.350 4.906 4.556 -0.000 0.000 0.328 423 H C -1.100 174.227 175.328 -0.002 0.000 1.067 423 H CA 0.044 56.090 56.048 -0.004 0.000 1.447 423 H CB 0.650 30.410 29.762 -0.003 0.000 1.469 423 H HN 0.550 nan 8.280 nan 0.000 0.544 424 A N 4.015 126.527 122.820 -0.514 0.000 2.249 424 A HA 0.259 4.579 4.320 -0.000 0.000 0.314 424 A C 1.364 178.652 177.584 -0.492 0.000 1.290 424 A CA -0.008 51.817 52.037 -0.354 0.000 0.893 424 A CB 0.505 19.376 19.000 -0.215 0.000 1.165 424 A HN 0.932 nan 8.150 nan 0.000 0.530 425 T N 1.255 115.656 114.554 -0.256 0.000 2.812 425 T HA -0.018 4.332 4.350 -0.000 0.000 0.264 425 T C 0.656 175.292 174.700 -0.106 0.000 1.042 425 T CA 1.484 63.493 62.100 -0.152 0.000 1.140 425 T CB -0.227 68.610 68.868 -0.052 0.000 0.870 425 T HN 0.676 nan 8.240 nan 0.000 0.445 426 E N 1.631 121.778 120.200 -0.089 0.000 2.232 426 E HA 0.296 4.645 4.350 -0.000 0.000 0.265 426 E C -0.450 176.116 176.600 -0.058 0.000 1.001 426 E CA -0.579 55.788 56.400 -0.055 0.000 0.870 426 E CB 1.138 30.816 29.700 -0.036 0.000 1.175 426 E HN 0.575 nan 8.360 nan 0.000 0.407 427 E N 1.483 121.662 120.200 -0.036 0.000 2.414 427 E HA -0.068 4.282 4.350 -0.000 0.000 0.263 427 E C -0.618 175.968 176.600 -0.024 0.000 1.000 427 E CA -0.060 56.323 56.400 -0.028 0.000 0.914 427 E CB 0.519 30.210 29.700 -0.014 0.000 0.948 427 E HN 0.130 nan 8.360 nan 0.000 0.444 428 Q N 2.516 122.303 119.800 -0.023 0.000 2.271 428 Q HA 0.192 4.532 4.340 -0.000 0.000 0.258 428 Q C -0.272 175.727 176.000 -0.001 0.000 0.936 428 Q CA -0.433 55.361 55.803 -0.016 0.000 0.909 428 Q CB 1.841 30.567 28.738 -0.021 0.000 1.253 428 Q HN 0.678 nan 8.270 nan 0.000 0.440 429 S N 1.874 117.578 115.700 0.005 0.000 2.624 429 S HA 0.276 4.746 4.470 -0.000 0.000 0.263 429 S C -1.769 172.845 174.600 0.024 0.000 1.287 429 S CA -0.969 57.242 58.200 0.019 0.000 0.990 429 S CB 0.481 63.692 63.200 0.018 0.000 0.950 429 S HN 0.302 nan 8.310 nan 0.000 0.561 430 P HA -0.042 nan 4.420 nan 0.000 0.217 430 P C 1.683 179.000 177.300 0.028 0.000 1.150 430 P CA 0.315 63.438 63.100 0.039 0.000 0.832 430 P CB -0.087 31.653 31.700 0.068 0.000 0.787 431 L N 0.380 121.618 121.223 0.024 0.000 1.970 431 L HA -0.243 4.096 4.340 -0.000 0.000 0.212 431 L C 2.232 179.110 176.870 0.013 0.000 1.071 431 L CA 2.047 56.896 54.840 0.015 0.000 0.751 431 L CB -1.689 40.376 42.059 0.010 0.000 0.889 431 L HN -0.051 nan 8.230 nan 0.000 0.432 432 Q N -0.710 119.096 119.800 0.010 0.000 2.152 432 Q HA -0.231 4.109 4.340 -0.000 0.000 0.206 432 Q C 2.304 178.310 176.000 0.009 0.000 0.985 432 Q CA 2.021 57.828 55.803 0.007 0.000 0.863 432 Q CB -0.373 28.365 28.738 0.000 0.000 0.904 432 Q HN 0.565 nan 8.270 nan 0.000 0.422 433 L N -0.074 121.157 121.223 0.012 0.000 2.056 433 L HA -0.178 4.162 4.340 -0.000 0.000 0.207 433 L C 2.332 179.217 176.870 0.025 0.000 1.078 433 L CA 0.478 55.328 54.840 0.016 0.000 0.749 433 L CB -0.342 41.727 42.059 0.015 0.000 0.901 433 L HN 0.255 nan 8.230 nan 0.000 0.433 434 L N -0.096 121.142 121.223 0.025 0.000 2.046 434 L HA -0.172 4.168 4.340 -0.000 0.000 0.208 434 L C 2.703 179.591 176.870 0.031 0.000 1.077 434 L CA 1.631 56.488 54.840 0.029 0.000 0.747 434 L CB -0.413 41.659 42.059 0.020 0.000 0.896 434 L HN 0.069 nan 8.230 nan 0.000 0.432 435 R N -0.400 120.114 120.500 0.023 0.000 2.081 435 R HA -0.097 4.243 4.340 -0.000 0.000 0.235 435 R C 2.278 178.596 176.300 0.030 0.000 1.131 435 R CA 1.279 57.392 56.100 0.023 0.000 0.960 435 R CB -0.702 29.607 30.300 0.015 0.000 0.856 435 R HN 0.537 nan 8.270 nan 0.000 0.436 436 A N 1.235 124.070 122.820 0.026 0.000 1.898 436 A HA -0.124 4.196 4.320 -0.000 0.000 0.216 436 A C 2.158 179.766 177.584 0.040 0.000 1.181 436 A CA 1.146 53.198 52.037 0.024 0.000 0.620 436 A CB -0.440 18.568 19.000 0.012 0.000 0.819 436 A HN 0.169 nan 8.150 nan 0.000 0.442 437 I N -0.755 119.851 120.570 0.060 0.000 2.226 437 I HA -0.218 3.951 4.170 -0.000 0.000 0.245 437 I C 2.374 178.609 176.117 0.197 0.000 1.100 437 I CA 1.124 62.492 61.300 0.113 0.000 1.374 437 I CB -0.260 37.821 38.000 0.135 0.000 1.057 437 I HN 0.165 nan 8.210 nan 0.000 0.413 438 V N 0.644 120.641 119.914 0.139 0.000 2.307 438 V HA -0.280 3.840 4.120 -0.000 0.000 0.245 438 V C 2.535 178.705 176.094 0.127 0.000 1.045 438 V CA 1.719 64.101 62.300 0.137 0.000 1.024 438 V CB -0.562 31.294 31.823 0.054 0.000 0.651 438 V HN 0.374 nan 8.190 nan 0.000 0.449 439 K N -0.047 120.400 120.400 0.078 0.000 2.089 439 K HA -0.315 4.005 4.320 -0.000 0.000 0.210 439 K C 2.340 178.978 176.600 0.063 0.000 1.048 439 K CA 2.232 58.555 56.287 0.059 0.000 0.926 439 K CB -0.141 32.381 32.500 0.037 0.000 0.714 439 K HN 0.212 nan 8.250 nan 0.000 0.448 440 R N -0.101 120.426 120.500 0.046 0.000 2.075 440 R HA -0.114 4.226 4.340 -0.000 0.000 0.232 440 R C 2.014 178.305 176.300 -0.016 0.000 1.126 440 R CA 1.575 57.665 56.100 -0.016 0.000 0.963 440 R CB -0.860 29.388 30.300 -0.086 0.000 0.858 440 R HN 0.266 nan 8.270 nan 0.000 0.435 441 Y N 1.046 121.361 120.300 0.025 0.000 2.207 441 Y HA -0.158 4.392 4.550 -0.000 0.000 0.287 441 Y C 2.259 178.193 175.900 0.055 0.000 1.156 441 Y CA 1.761 59.880 58.100 0.032 0.000 1.182 441 Y CB -0.024 38.438 38.460 0.004 0.000 0.979 441 Y HN 0.129 nan 8.280 nan 0.000 0.521 442 E N 0.253 120.565 120.200 0.187 0.000 2.051 442 E HA -0.203 4.147 4.350 -0.000 0.000 0.192 442 E C 2.031 178.722 176.600 0.151 0.000 0.991 442 E CA 1.206 57.694 56.400 0.147 0.000 0.799 442 E CB -0.329 29.426 29.700 0.092 0.000 0.748 442 E HN 0.599 nan 8.360 nan 0.000 0.449 443 E N 0.113 120.372 120.200 0.098 0.000 2.130 443 E HA -0.189 4.161 4.350 -0.000 0.000 0.196 443 E C 2.101 178.747 176.600 0.077 0.000 0.998 443 E CA 1.253 57.695 56.400 0.069 0.000 0.806 443 E CB -0.100 29.620 29.700 0.033 0.000 0.738 443 E HN 0.221 nan 8.360 nan 0.000 0.459 444 M N -0.925 118.731 119.600 0.093 0.000 2.193 444 M HA -0.120 4.360 4.480 -0.000 0.000 0.265 444 M C 2.097 178.474 176.300 0.127 0.000 1.071 444 M CA 0.985 56.331 55.300 0.077 0.000 1.140 444 M CB -0.190 32.437 32.600 0.045 0.000 1.369 444 M HN 0.126 nan 8.290 nan 0.000 0.423 445 Y N 0.730 121.064 120.300 0.056 0.000 2.081 445 Y HA -0.266 4.283 4.550 -0.000 0.000 0.280 445 Y C 2.215 178.134 175.900 0.032 0.000 1.163 445 Y CA 1.773 59.904 58.100 0.051 0.000 1.135 445 Y CB -0.630 37.867 38.460 0.060 0.000 0.970 445 Y HN -0.112 nan 8.280 nan 0.000 0.498 446 V N 0.355 120.331 119.914 0.104 0.000 2.287 446 V HA -0.352 3.768 4.120 -0.000 0.000 0.248 446 V C 2.224 178.292 176.094 -0.043 0.000 1.053 446 V CA 2.391 64.693 62.300 0.003 0.000 1.027 446 V CB -0.614 31.246 31.823 0.062 0.000 0.646 446 V HN 0.429 nan 8.190 nan 0.000 0.447 447 E N -0.753 119.441 120.200 -0.010 0.000 2.097 447 E HA -0.320 4.030 4.350 -0.000 0.000 0.196 447 E C 2.284 178.855 176.600 -0.048 0.000 1.000 447 E CA 1.663 58.051 56.400 -0.019 0.000 0.804 447 E CB -0.165 29.533 29.700 -0.003 0.000 0.740 447 E HN 0.457 nan 8.360 nan 0.000 0.454 448 Q N 0.333 120.089 119.800 -0.072 0.000 2.119 448 Q HA -0.194 4.146 4.340 -0.000 0.000 0.201 448 Q C 1.913 177.832 176.000 -0.134 0.000 0.972 448 Q CA 1.507 57.257 55.803 -0.089 0.000 0.847 448 Q CB -0.110 28.576 28.738 -0.086 0.000 0.903 448 Q HN 0.081 nan 8.270 nan 0.000 0.433 449 Q N -0.779 118.893 119.800 -0.214 0.000 2.119 449 Q HA -0.050 4.290 4.340 -0.000 0.000 0.201 449 Q C 2.042 177.977 176.000 -0.109 0.000 0.972 449 Q CA 1.735 57.412 55.803 -0.210 0.000 0.847 449 Q CB -0.593 27.968 28.738 -0.295 0.000 0.903 449 Q HN 0.350 nan 8.270 nan 0.000 0.433 450 S N -1.440 114.212 115.700 -0.080 0.000 2.368 450 S HA -0.072 4.398 4.470 -0.000 0.000 0.224 450 S C 1.871 176.452 174.600 -0.032 0.000 1.029 450 S CA 1.120 59.293 58.200 -0.044 0.000 0.988 450 S CB -0.332 62.849 63.200 -0.031 0.000 0.838 450 S HN 0.260 nan 8.310 nan 0.000 0.462 451 V N 1.990 121.884 119.914 -0.033 0.000 2.287 451 V HA -0.217 3.903 4.120 -0.000 0.000 0.248 451 V C 2.753 178.838 176.094 -0.016 0.000 1.053 451 V CA 2.437 64.726 62.300 -0.018 0.000 1.027 451 V CB -0.895 30.918 31.823 -0.017 0.000 0.646 451 V HN 0.647 nan 8.190 nan 0.000 0.447 452 Q N 0.033 119.812 119.800 -0.034 0.000 2.061 452 Q HA -0.297 4.043 4.340 -0.000 0.000 0.204 452 Q C 2.106 178.096 176.000 -0.018 0.000 0.984 452 Q CA 2.475 58.260 55.803 -0.030 0.000 0.846 452 Q CB -0.252 28.453 28.738 -0.055 0.000 0.902 452 Q HN 0.731 nan 8.270 nan 0.000 0.421 453 N N 0.203 118.888 118.700 -0.025 0.000 2.060 453 N HA -0.195 4.545 4.740 -0.000 0.000 0.195 453 N C 1.457 176.973 175.510 0.010 0.000 1.028 453 N CA 1.740 54.783 53.050 -0.012 0.000 0.861 453 N CB -0.060 38.417 38.487 -0.017 0.000 1.029 453 N HN 0.298 nan 8.380 nan 0.000 0.428 454 N N 0.141 118.847 118.700 0.011 0.000 2.104 454 N HA -0.107 4.633 4.740 -0.000 0.000 0.190 454 N C 1.482 177.023 175.510 0.052 0.000 1.024 454 N CA 1.241 54.306 53.050 0.025 0.000 0.853 454 N CB -0.559 37.941 38.487 0.020 0.000 1.008 454 N HN 0.310 nan 8.380 nan 0.000 0.424 455 A N 0.856 123.708 122.820 0.053 0.000 1.930 455 A HA -0.022 4.298 4.320 -0.000 0.000 0.217 455 A C 2.286 179.946 177.584 0.126 0.000 1.175 455 A CA 0.827 52.916 52.037 0.087 0.000 0.627 455 A CB -0.551 18.485 19.000 0.060 0.000 0.815 455 A HN 0.226 nan 8.150 nan 0.000 0.443 456 I N -1.193 119.426 120.570 0.082 0.000 2.353 456 I HA -0.179 3.991 4.170 -0.000 0.000 0.248 456 I C 2.633 178.845 176.117 0.158 0.000 1.119 456 I CA 0.705 62.058 61.300 0.089 0.000 1.417 456 I CB -0.250 37.759 38.000 0.015 0.000 1.078 456 I HN 0.164 nan 8.210 nan 0.000 0.421 457 R N 0.849 121.412 120.500 0.105 0.000 2.073 457 R HA -0.113 4.227 4.340 -0.000 0.000 0.229 457 R C 1.772 178.125 176.300 0.089 0.000 1.120 457 R CA 1.230 57.382 56.100 0.087 0.000 0.967 457 R CB -0.909 29.413 30.300 0.037 0.000 0.862 457 R HN 0.323 nan 8.270 nan 0.000 0.436 458 D N -0.367 120.093 120.400 0.100 0.000 2.116 458 D HA -0.218 4.422 4.640 -0.000 0.000 0.193 458 D C 1.655 178.093 176.300 0.230 0.000 0.998 458 D CA 1.033 55.099 54.000 0.110 0.000 0.836 458 D CB -0.473 40.446 40.800 0.198 0.000 0.951 458 D HN 0.307 nan 8.370 nan 0.000 0.449 459 W N 1.718 123.083 121.300 0.110 0.000 2.350 459 W HA -0.162 4.498 4.660 -0.000 0.000 0.289 459 W C 1.553 178.126 176.519 0.089 0.000 1.215 459 W CA 1.271 58.693 57.345 0.129 0.000 1.236 459 W CB 0.128 29.636 29.460 0.081 0.000 1.130 459 W HN -0.126 nan 8.180 nan 0.000 0.541 460 D N -0.312 120.320 120.400 0.387 0.000 2.149 460 D HA -0.216 4.424 4.640 -0.000 0.000 0.201 460 D C 2.201 178.490 176.300 -0.020 0.000 0.972 460 D CA 1.426 55.567 54.000 0.236 0.000 0.835 460 D CB -0.675 40.261 40.800 0.226 0.000 0.966 460 D HN 0.234 nan 8.370 nan 0.000 0.476 461 M N -0.231 119.320 119.600 -0.081 0.000 2.086 461 M HA -0.212 4.268 4.480 -0.000 0.000 0.261 461 M C 1.802 177.947 176.300 -0.258 0.000 1.067 461 M CA 1.403 56.587 55.300 -0.195 0.000 1.116 461 M CB -0.214 32.191 32.600 -0.324 0.000 1.348 461 M HN -0.013 nan 8.290 nan 0.000 0.407 462 Y N 0.314 120.543 120.300 -0.119 0.000 2.293 462 Y HA -0.241 4.309 4.550 -0.000 0.000 0.291 462 Y C 2.570 178.292 175.900 -0.296 0.000 1.137 462 Y CA 1.788 59.776 58.100 -0.187 0.000 1.202 462 Y CB -0.927 37.414 38.460 -0.199 0.000 0.990 462 Y HN 0.459 nan 8.280 nan 0.000 0.537 463 Q N -0.737 118.855 119.800 -0.346 0.000 2.172 463 Q HA -0.184 4.156 4.340 -0.000 0.000 0.200 463 Q C 1.967 177.859 176.000 -0.179 0.000 0.964 463 Q CA 1.754 57.278 55.803 -0.466 0.000 0.855 463 Q CB -0.371 27.809 28.738 -0.930 0.000 0.918 463 Q HN 0.555 nan 8.270 nan 0.000 0.444 464 H N 0.200 119.161 119.070 -0.181 0.000 2.363 464 H HA 0.071 4.627 4.556 -0.000 0.000 0.301 464 H C 1.781 177.059 175.328 -0.083 0.000 1.074 464 H CA 1.874 57.860 56.048 -0.104 0.000 1.354 464 H CB 0.142 29.853 29.762 -0.084 0.000 1.397 464 H HN 0.242 nan 8.280 nan 0.000 0.516 465 K N 0.313 120.642 120.400 -0.119 0.000 2.063 465 K HA -0.201 4.119 4.320 -0.000 0.000 0.208 465 K C 2.239 178.762 176.600 -0.129 0.000 1.048 465 K CA 1.680 57.890 56.287 -0.128 0.000 0.928 465 K CB -0.057 32.440 32.500 -0.006 0.000 0.713 465 K HN 0.478 nan 8.250 nan 0.000 0.442 466 E N -0.164 119.968 120.200 -0.113 0.000 2.077 466 E HA -0.184 4.165 4.350 -0.000 0.000 0.193 466 E C 1.719 178.252 176.600 -0.113 0.000 0.989 466 E CA 1.850 58.187 56.400 -0.104 0.000 0.800 466 E CB -0.018 29.611 29.700 -0.117 0.000 0.746 466 E HN 0.490 nan 8.360 nan 0.000 0.452 467 T N -1.206 113.264 114.554 -0.141 0.000 2.867 467 T HA -0.117 4.233 4.350 -0.000 0.000 0.268 467 T C 1.862 176.470 174.700 -0.153 0.000 1.057 467 T CA 0.716 62.742 62.100 -0.123 0.000 1.136 467 T CB -0.087 68.725 68.868 -0.094 0.000 0.874 467 T HN 0.060 nan 8.240 nan 0.000 0.466 468 Q N 0.996 120.652 119.800 -0.240 0.000 2.124 468 Q HA 0.107 4.447 4.340 -0.000 0.000 0.202 468 Q C 2.459 178.391 176.000 -0.114 0.000 0.977 468 Q CA 1.079 56.764 55.803 -0.197 0.000 0.850 468 Q CB -0.490 28.102 28.738 -0.244 0.000 0.901 468 Q HN 0.550 nan 8.270 nan 0.000 0.429 469 L N -0.337 120.825 121.223 -0.101 0.000 2.240 469 L HA -0.030 4.310 4.340 -0.000 0.000 0.211 469 L C 2.115 178.953 176.870 -0.054 0.000 1.106 469 L CA 0.726 55.526 54.840 -0.066 0.000 0.793 469 L CB -0.270 41.756 42.059 -0.055 0.000 0.927 469 L HN 0.073 nan 8.230 nan 0.000 0.446 470 A N -0.862 121.923 122.820 -0.058 0.000 2.147 470 A HA -0.043 4.277 4.320 -0.000 0.000 0.211 470 A C 2.058 179.620 177.584 -0.037 0.000 1.160 470 A CA 0.349 52.361 52.037 -0.042 0.000 0.781 470 A CB -0.044 18.932 19.000 -0.041 0.000 0.842 470 A HN 0.315 nan 8.150 nan 0.000 0.475 471 E N -0.252 119.920 120.200 -0.046 0.000 2.028 471 E HA -0.206 4.144 4.350 -0.000 0.000 0.191 471 E C 1.892 178.474 176.600 -0.031 0.000 0.988 471 E CA 1.274 57.652 56.400 -0.037 0.000 0.799 471 E CB -0.068 29.606 29.700 -0.043 0.000 0.755 471 E HN 0.611 nan 8.360 nan 0.000 0.447 472 E N 1.093 121.272 120.200 -0.036 0.000 2.267 472 E HA -0.199 4.151 4.350 -0.000 0.000 0.197 472 E C 1.640 178.226 176.600 -0.023 0.000 0.998 472 E CA 0.966 57.349 56.400 -0.028 0.000 0.830 472 E CB -0.131 29.551 29.700 -0.031 0.000 0.751 472 E HN 0.172 nan 8.360 nan 0.000 0.491 473 N N -0.621 118.064 118.700 -0.025 0.000 2.171 473 N HA -0.111 4.629 4.740 -0.000 0.000 0.184 473 N C 1.612 177.112 175.510 -0.016 0.000 1.021 473 N CA 1.197 54.235 53.050 -0.020 0.000 0.854 473 N CB -0.051 38.423 38.487 -0.021 0.000 0.994 473 N HN 0.260 nan 8.380 nan 0.000 0.426 474 A N 1.674 124.484 122.820 -0.016 0.000 1.968 474 A HA -0.086 4.234 4.320 -0.000 0.000 0.217 474 A C 2.232 179.809 177.584 -0.011 0.000 1.169 474 A CA 0.680 52.710 52.037 -0.012 0.000 0.638 474 A CB -0.512 18.481 19.000 -0.011 0.000 0.812 474 A HN 0.339 nan 8.150 nan 0.000 0.446 475 R N -0.115 120.377 120.500 -0.013 0.000 2.081 475 R HA -0.069 4.271 4.340 -0.000 0.000 0.235 475 R C 1.783 178.077 176.300 -0.010 0.000 1.131 475 R CA 1.657 57.750 56.100 -0.011 0.000 0.960 475 R CB -0.388 29.905 30.300 -0.013 0.000 0.856 475 R HN 0.500 nan 8.270 nan 0.000 0.436 476 L N 0.519 121.735 121.223 -0.011 0.000 2.109 476 L HA -0.077 4.263 4.340 -0.000 0.000 0.207 476 L C 2.542 179.407 176.870 -0.009 0.000 1.086 476 L CA 1.270 56.104 54.840 -0.010 0.000 0.760 476 L CB -0.257 41.795 42.059 -0.011 0.000 0.910 476 L HN 0.148 nan 8.230 nan 0.000 0.437 477 K N 0.192 120.586 120.400 -0.009 0.000 2.209 477 K HA -0.217 4.103 4.320 -0.000 0.000 0.204 477 K C 2.117 178.713 176.600 -0.006 0.000 1.048 477 K CA 1.213 57.495 56.287 -0.007 0.000 0.940 477 K CB 0.066 32.562 32.500 -0.008 0.000 0.729 477 K HN 0.197 nan 8.250 nan 0.000 0.451 478 K N 0.934 121.331 120.400 -0.006 0.000 2.128 478 K HA -0.006 4.314 4.320 -0.000 0.000 0.202 478 K C 1.935 178.533 176.600 -0.005 0.000 1.050 478 K CA 0.469 56.753 56.287 -0.005 0.000 0.966 478 K CB 0.047 32.544 32.500 -0.005 0.000 0.759 478 K HN -0.015 nan 8.250 nan 0.000 0.454 479 L N 1.436 122.656 121.223 -0.005 0.000 2.043 479 L HA -0.239 4.101 4.340 -0.000 0.000 0.212 479 L C 2.034 178.902 176.870 -0.005 0.000 1.075 479 L CA 1.495 56.332 54.840 -0.005 0.000 0.752 479 L CB -0.708 41.347 42.059 -0.006 0.000 0.891 479 L HN 0.327 nan 8.230 nan 0.000 0.432 480 N N 0.346 119.043 118.700 -0.005 0.000 2.043 480 N HA -0.149 4.591 4.740 -0.000 0.000 0.193 480 N C 1.827 177.335 175.510 -0.004 0.000 1.037 480 N CA 1.576 54.623 53.050 -0.005 0.000 0.851 480 N CB -0.743 37.741 38.487 -0.005 0.000 1.027 480 N HN 0.312 nan 8.380 nan 0.000 0.422 481 G N 0.565 109.363 108.800 -0.004 0.000 2.503 481 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.221 481 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.221 481 G C 1.326 176.224 174.900 -0.003 0.000 1.131 481 G CA 1.068 46.166 45.100 -0.003 0.000 0.756 481 G HN 0.426 nan 8.290 nan 0.000 0.572 482 E N 0.216 120.414 120.200 -0.003 0.000 2.216 482 E HA 0.193 4.543 4.350 -0.000 0.000 0.192 482 E C 2.811 179.409 176.600 -0.003 0.000 0.988 482 E CA 0.435 56.833 56.400 -0.003 0.000 0.834 482 E CB -0.037 29.661 29.700 -0.003 0.000 0.772 482 E HN 0.430 nan 8.360 nan 0.000 0.479 483 A N 1.417 124.235 122.820 -0.003 0.000 1.968 483 A HA -0.168 4.152 4.320 -0.000 0.000 0.217 483 A C 1.598 179.180 177.584 -0.003 0.000 1.169 483 A CA 1.265 53.300 52.037 -0.003 0.000 0.638 483 A CB -0.124 18.874 19.000 -0.003 0.000 0.812 483 A HN 0.043 nan 8.150 nan 0.000 0.446 484 D N 0.035 120.433 120.400 -0.003 0.000 2.117 484 D HA -0.089 4.551 4.640 -0.000 0.000 0.198 484 D C 1.963 178.262 176.300 -0.002 0.000 0.982 484 D CA 0.802 54.801 54.000 -0.002 0.000 0.828 484 D CB -0.188 40.611 40.800 -0.002 0.000 0.967 484 D HN 0.405 nan 8.370 nan 0.000 0.464 485 L N 0.408 121.630 121.223 -0.002 0.000 2.005 485 L HA -0.138 4.202 4.340 -0.000 0.000 0.207 485 L C 2.489 179.358 176.870 -0.002 0.000 1.072 485 L CA 1.221 56.060 54.840 -0.002 0.000 0.744 485 L CB -0.488 41.570 42.059 -0.002 0.000 0.895 485 L HN -0.007 nan 8.230 nan 0.000 0.433 486 A N -0.023 122.796 122.820 -0.002 0.000 1.940 486 A HA -0.193 4.126 4.320 -0.000 0.000 0.219 486 A C 2.236 179.819 177.584 -0.002 0.000 1.176 486 A CA 1.386 53.422 52.037 -0.002 0.000 0.631 486 A CB -0.716 18.283 19.000 -0.002 0.000 0.814 486 A HN 0.372 nan 8.150 nan 0.000 0.446 487 L N -0.860 120.362 121.223 -0.002 0.000 2.042 487 L HA -0.254 4.086 4.340 -0.000 0.000 0.210 487 L C 3.124 179.993 176.870 -0.002 0.000 1.076 487 L CA 1.193 56.032 54.840 -0.002 0.000 0.749 487 L CB -0.549 41.509 42.059 -0.002 0.000 0.893 487 L HN 0.464 nan 8.230 nan 0.000 0.432 488 A N -1.029 121.790 122.820 -0.001 0.000 1.902 488 A HA -0.211 4.109 4.320 -0.000 0.000 0.217 488 A C 2.503 180.086 177.584 -0.001 0.000 1.181 488 A CA 2.081 54.117 52.037 -0.001 0.000 0.623 488 A CB -0.641 18.358 19.000 -0.001 0.000 0.818 488 A HN 0.357 nan 8.150 nan 0.000 0.443 489 S N -0.421 115.278 115.700 -0.001 0.000 2.351 489 S HA -0.108 4.362 4.470 -0.000 0.000 0.220 489 S C 2.303 176.902 174.600 -0.001 0.000 1.035 489 S CA 1.462 59.662 58.200 -0.001 0.000 1.031 489 S CB -0.522 62.678 63.200 -0.001 0.000 0.928 489 S HN 0.836 nan 8.310 nan 0.000 0.433 490 A N 1.245 124.064 122.820 -0.001 0.000 2.070 490 A HA -0.125 4.195 4.320 -0.000 0.000 0.220 490 A C 1.834 179.417 177.584 -0.001 0.000 1.159 490 A CA 1.771 53.808 52.037 -0.001 0.000 0.656 490 A CB -0.705 18.294 19.000 -0.001 0.000 0.800 490 A HN 0.526 nan 8.150 nan 0.000 0.453 491 N N 0.370 119.070 118.700 -0.001 0.000 2.109 491 N HA -0.017 4.723 4.740 -0.000 0.000 0.188 491 N C 1.806 177.315 175.510 -0.001 0.000 1.034 491 N CA 1.767 54.816 53.050 -0.001 0.000 0.846 491 N CB -0.456 38.030 38.487 -0.001 0.000 1.010 491 N HN 0.285 nan 8.380 nan 0.000 0.425 492 A N -0.729 122.090 122.820 -0.001 0.000 1.986 492 A HA -0.158 4.162 4.320 -0.000 0.000 0.220 492 A C 2.247 179.831 177.584 -0.001 0.000 1.171 492 A CA 2.226 54.262 52.037 -0.001 0.000 0.640 492 A CB -1.164 17.836 19.000 -0.001 0.000 0.811 492 A HN 0.447 nan 8.150 nan 0.000 0.451 493 T N -0.434 114.120 114.554 -0.001 0.000 2.851 493 T HA -0.038 4.312 4.350 -0.000 0.000 0.262 493 T C 1.795 176.495 174.700 -0.001 0.000 1.043 493 T CA 1.176 63.276 62.100 -0.001 0.000 1.140 493 T CB -0.278 68.590 68.868 -0.001 0.000 0.872 493 T HN 0.348 nan 8.240 nan 0.000 0.446 494 L N 1.420 122.642 121.223 -0.001 0.000 2.079 494 L HA -0.081 4.259 4.340 -0.000 0.000 0.210 494 L C 2.250 179.119 176.870 -0.001 0.000 1.081 494 L CA 1.742 56.581 54.840 -0.001 0.000 0.752 494 L CB -0.652 41.407 42.059 -0.001 0.000 0.896 494 L HN 0.069 nan 8.230 nan 0.000 0.433 495 Q N -0.036 119.764 119.800 -0.001 0.000 2.083 495 Q HA -0.158 4.182 4.340 -0.000 0.000 0.198 495 Q C 2.173 178.173 176.000 -0.001 0.000 0.969 495 Q CA 1.643 57.446 55.803 -0.001 0.000 0.838 495 Q CB -0.251 28.487 28.738 -0.001 0.000 0.900 495 Q HN 0.668 nan 8.270 nan 0.000 0.436 496 E N 0.325 120.525 120.200 -0.001 0.000 2.160 496 E HA -0.130 4.220 4.350 -0.000 0.000 0.195 496 E C 1.996 178.596 176.600 -0.001 0.000 0.991 496 E CA 0.574 56.973 56.400 -0.001 0.000 0.810 496 E CB -0.035 29.665 29.700 -0.001 0.000 0.742 496 E HN 0.270 nan 8.360 nan 0.000 0.466 497 L N 0.188 121.411 121.223 -0.001 0.000 2.240 497 L HA -0.096 4.244 4.340 -0.000 0.000 0.211 497 L C 2.304 179.174 176.870 -0.001 0.000 1.106 497 L CA 0.287 55.127 54.840 -0.001 0.000 0.793 497 L CB 0.008 42.066 42.059 -0.001 0.000 0.927 497 L HN 0.032 nan 8.230 nan 0.000 0.446 498 V N -0.906 119.007 119.914 -0.001 0.000 2.548 498 V HA -0.192 3.928 4.120 -0.000 0.000 0.249 498 V C 2.298 178.392 176.094 -0.001 0.000 1.055 498 V CA 1.078 63.377 62.300 -0.001 0.000 1.065 498 V CB 0.386 32.208 31.823 -0.001 0.000 0.681 498 V HN 0.176 nan 8.190 nan 0.000 0.462 499 V N -0.268 119.646 119.914 -0.001 0.000 2.453 499 V HA -0.178 3.942 4.120 -0.000 0.000 0.247 499 V C 2.466 178.560 176.094 -0.000 0.000 1.048 499 V CA 1.774 64.074 62.300 -0.000 0.000 1.049 499 V CB -0.622 31.201 31.823 -0.000 0.000 0.672 499 V HN 0.462 nan 8.190 nan 0.000 0.457 500 R N -0.402 120.098 120.500 -0.000 0.000 2.237 500 R HA -0.126 4.214 4.340 -0.000 0.000 0.219 500 R C 2.239 178.538 176.300 -0.000 0.000 1.080 500 R CA 1.122 57.222 56.100 -0.000 0.000 0.995 500 R CB -0.061 30.238 30.300 -0.000 0.000 0.875 500 R HN 0.620 nan 8.270 nan 0.000 0.462 501 E N 0.998 121.198 120.200 -0.000 0.000 2.102 501 E HA -0.154 4.196 4.350 -0.000 0.000 0.190 501 E C 1.727 178.327 176.600 -0.000 0.000 0.971 501 E CA 0.645 57.045 56.400 -0.000 0.000 0.821 501 E CB 0.272 29.971 29.700 -0.001 0.000 0.777 501 E HN 0.422 nan 8.360 nan 0.000 0.460 502 Q N -0.142 119.658 119.800 -0.000 0.000 2.311 502 Q HA -0.036 4.304 4.340 -0.000 0.000 0.203 502 Q C 1.427 177.427 176.000 -0.000 0.000 0.954 502 Q CA 0.751 56.554 55.803 -0.000 0.000 0.885 502 Q CB -0.142 28.596 28.738 -0.000 0.000 0.963 502 Q HN 0.102 nan 8.270 nan 0.000 0.471 503 N N 1.585 120.284 118.700 -0.000 0.000 2.142 503 N HA -0.041 4.699 4.740 -0.000 0.000 0.186 503 N C 1.825 177.335 175.510 -0.000 0.000 1.023 503 N CA 0.982 54.032 53.050 -0.000 0.000 0.852 503 N CB -0.239 38.248 38.487 -0.000 0.000 0.998 503 N HN 0.213 nan 8.380 nan 0.000 0.424 504 L N 0.147 121.370 121.223 -0.000 0.000 2.083 504 L HA -0.084 4.256 4.340 -0.000 0.000 0.209 504 L C 2.207 179.077 176.870 -0.000 0.000 1.083 504 L CA 1.182 56.022 54.840 -0.000 0.000 0.752 504 L CB -0.415 41.644 42.059 -0.000 0.000 0.899 504 L HN 0.158 nan 8.230 nan 0.000 0.433 505 A N -1.193 121.626 122.820 -0.000 0.000 1.970 505 A HA -0.107 4.213 4.320 -0.000 0.000 0.216 505 A C 2.476 180.060 177.584 -0.000 0.000 1.170 505 A CA 1.400 53.437 52.037 -0.000 0.000 0.645 505 A CB -0.366 18.633 19.000 -0.000 0.000 0.816 505 A HN 0.300 nan 8.150 nan 0.000 0.447 506 S N 0.076 115.776 115.700 -0.000 0.000 2.378 506 S HA -0.265 4.205 4.470 -0.000 0.000 0.221 506 S C 2.050 176.650 174.600 -0.000 0.000 1.037 506 S CA 1.831 60.031 58.200 -0.000 0.000 1.069 506 S CB -0.476 62.724 63.200 -0.000 0.000 1.006 506 S HN 0.706 nan 8.310 nan 0.000 0.423 507 Q N -0.053 119.746 119.800 -0.000 0.000 2.325 507 Q HA -0.111 4.229 4.340 -0.000 0.000 0.211 507 Q C 1.927 177.927 176.000 -0.000 0.000 0.988 507 Q CA 1.128 56.931 55.803 -0.000 0.000 0.887 507 Q CB -0.158 28.579 28.738 -0.000 0.000 0.915 507 Q HN 0.465 nan 8.270 nan 0.000 0.440 508 L N -1.767 119.456 121.223 -0.000 0.000 2.717 508 L HA 0.318 4.658 4.340 -0.000 0.000 0.239 508 L C 0.610 177.480 176.870 -0.000 0.000 1.086 508 L CA 0.072 54.912 54.840 -0.000 0.000 0.897 508 L CB 0.875 42.934 42.059 -0.000 0.000 1.214 508 L HN 0.098 nan 8.230 nan 0.000 0.508 509 G N 0.000 108.800 108.800 -0.000 0.000 5.446 509 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 509 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 509 G CA 0.000 45.100 45.100 -0.000 0.000 0.502 509 G HN 0.000 nan 8.290 nan 0.000 0.925