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 3hj3_1_D DATA FIRST_RESID 3 DATA SEQUENCE EKNVSIVVAA SVLSSGIGIN GQLPWSISED LKFFSKITNN KCDSNKKNAL DATA SEQUENCE IMGRKTWDSI GRRPLKNRII VVISSSLPQD EADPNVVVFR NLEDSIENLM DATA SEQUENCE NDDSIENIFV CGGESIYRDA LKDNFVDRIY LTRVALEDIE FDTYFPEIPE DATA SEQUENCE TFLPVYMSQT FCTKNISYDF MIFEKQXXXX XXXXXXXXXX LKSIDDTVDL DATA SEQUENCE LGEIAGIRKM GNRHKFPKEE IYNTPSIRFG REHYEFQYLD LLSRVLENGA DATA SEQUENCE YRENRTGIST YSIFGQMMRF DMRESFPLLT TKKVAIRSIF EELIWFIKGD DATA SEQUENCE TNGNHLIEKK VYIWSGNGSK EYLERIGLGH REENDLGPIY GFQWRHYNGE DATA SEQUENCE YKTMHDDYTG VGVDQLAKLI ETLKNNPKDR RHILTAWNPS ALSQMALPPC DATA SEQUENCE HVLSQYYVTN DNCLSCNLYQ RSCDLGLGSP FNIASYAILT MMLAQVCGYE DATA SEQUENCE PGELAIFIGD AHIYENHLTQ LKEQLSRTPR PFPQLKFKRK VENIEDFKWE DATA SEQUENCE DIELIGYYPY PTIKMDMAV 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 3 E HA 0.000 nan 4.350 nan 0.000 0.291 3 E C 0.000 176.588 176.600 -0.020 0.000 1.382 3 E CA 0.000 56.392 56.400 -0.013 0.000 0.976 3 E CB 0.000 29.695 29.700 -0.008 0.000 0.812 4 K N 0.518 120.903 120.400 -0.026 0.000 2.507 4 K HA 0.600 4.920 4.320 -0.000 0.000 0.284 4 K C -1.342 175.229 176.600 -0.049 0.000 1.038 4 K CA -1.019 55.243 56.287 -0.042 0.000 0.903 4 K CB 1.311 33.778 32.500 -0.055 0.000 1.531 4 K HN 0.350 nan 8.250 nan 0.000 0.430 5 N N 0.044 118.693 118.700 -0.084 0.000 2.321 5 N HA 0.507 5.246 4.740 -0.000 0.000 0.299 5 N C -1.923 173.495 175.510 -0.152 0.000 1.048 5 N CA -0.515 52.477 53.050 -0.096 0.000 0.836 5 N CB 1.852 40.273 38.487 -0.109 0.000 1.269 5 N HN 0.229 nan 8.380 nan 0.000 0.486 6 V N 2.254 122.123 119.914 -0.075 0.000 2.419 6 V HA 0.481 4.601 4.120 -0.000 0.000 0.287 6 V C -0.970 175.149 176.094 0.042 0.000 1.017 6 V CA -0.668 61.601 62.300 -0.051 0.000 0.844 6 V CB 0.981 32.827 31.823 0.037 0.000 1.011 6 V HN 0.811 nan 8.190 nan 0.000 0.429 7 S N 5.041 120.755 115.700 0.025 0.000 2.561 7 S HA 0.742 5.211 4.470 -0.000 0.000 0.303 7 S C -0.502 174.309 174.600 0.351 0.000 1.110 7 S CA -0.683 57.657 58.200 0.232 0.000 1.034 7 S CB 2.081 65.495 63.200 0.356 0.000 1.010 7 S HN 0.807 nan 8.310 nan 0.000 0.482 8 I N 1.785 122.556 120.570 0.335 0.000 2.588 8 I HA 0.551 4.721 4.170 -0.000 0.000 0.283 8 I C -0.876 175.495 176.117 0.425 0.000 1.119 8 I CA -0.335 61.195 61.300 0.383 0.000 1.419 8 I CB 0.567 38.785 38.000 0.364 0.000 1.394 8 I HN 0.420 nan 8.210 nan 0.000 0.562 9 V N 7.303 127.451 119.914 0.391 0.000 2.417 9 V HA 0.659 4.779 4.120 -0.000 0.000 0.291 9 V C -0.043 176.235 176.094 0.307 0.000 1.024 9 V CA -0.576 61.919 62.300 0.325 0.000 0.861 9 V CB 1.041 32.920 31.823 0.092 0.000 0.985 9 V HN 0.733 nan 8.190 nan 0.000 0.436 10 V N 3.484 123.489 119.914 0.152 0.000 3.114 10 V HA 0.963 5.083 4.120 -0.000 0.000 0.308 10 V C -0.876 175.232 176.094 0.023 0.000 1.168 10 V CA -0.179 62.100 62.300 -0.035 0.000 1.015 10 V CB 2.519 33.837 31.823 -0.842 0.000 1.050 10 V HN 1.200 nan 8.190 nan 0.000 0.433 11 A N 4.178 127.048 122.820 0.084 0.000 2.522 11 A HA 0.977 5.297 4.320 -0.000 0.000 0.285 11 A C -0.395 177.315 177.584 0.209 0.000 1.198 11 A CA 0.180 52.289 52.037 0.120 0.000 0.742 11 A CB 0.929 20.084 19.000 0.258 0.000 1.176 11 A HN 1.965 nan 8.150 nan 0.000 0.444 12 A N 1.546 124.379 122.820 0.021 0.000 2.423 12 A HA 0.872 5.192 4.320 -0.000 0.000 0.304 12 A C 0.407 177.975 177.584 -0.028 0.000 1.104 12 A CA -0.002 52.081 52.037 0.078 0.000 0.757 12 A CB 0.941 19.918 19.000 -0.040 0.000 1.313 12 A HN 1.905 nan 8.150 nan 0.000 0.423 13 S N 0.571 116.259 115.700 -0.021 0.000 2.562 13 S HA 0.223 4.693 4.470 -0.000 0.000 0.281 13 S C 1.153 175.688 174.600 -0.109 0.000 1.333 13 S CA 0.104 58.254 58.200 -0.082 0.000 1.052 13 S CB 1.044 64.210 63.200 -0.057 0.000 0.884 13 S HN 1.645 nan 8.310 nan 0.000 0.506 14 V N 3.705 123.554 119.914 -0.107 0.000 2.250 14 V HA -0.206 3.914 4.120 -0.000 0.000 0.253 14 V C 1.996 178.028 176.094 -0.105 0.000 1.065 14 V CA 2.311 64.561 62.300 -0.084 0.000 1.039 14 V CB -0.729 31.068 31.823 -0.043 0.000 0.647 14 V HN 0.924 nan 8.190 nan 0.000 0.446 15 L N -0.268 120.852 121.223 -0.172 0.000 2.168 15 L HA 0.038 4.378 4.340 -0.000 0.000 0.203 15 L C 2.267 179.080 176.870 -0.096 0.000 1.078 15 L CA 1.644 56.393 54.840 -0.152 0.000 0.780 15 L CB -0.342 41.593 42.059 -0.206 0.000 0.939 15 L HN 0.599 nan 8.230 nan 0.000 0.451 16 S N -2.937 112.710 115.700 -0.089 0.000 2.559 16 S HA 0.105 4.574 4.470 -0.000 0.000 0.226 16 S C 0.841 175.446 174.600 0.009 0.000 1.000 16 S CA 0.183 58.371 58.200 -0.019 0.000 0.948 16 S CB 0.722 63.964 63.200 0.069 0.000 0.870 16 S HN 0.240 nan 8.310 nan 0.000 0.497 17 S N 0.663 116.315 115.700 -0.080 0.000 3.561 17 S HA -0.115 4.354 4.470 -0.000 0.000 0.318 17 S C 0.794 175.295 174.600 -0.165 0.000 1.181 17 S CA 0.423 58.607 58.200 -0.027 0.000 0.916 17 S CB -2.043 61.235 63.200 0.131 0.000 0.966 17 S HN 1.207 nan 8.310 nan 0.000 0.550 18 G N 0.930 109.300 108.800 -0.717 0.000 2.265 18 G HA2 0.324 4.284 3.960 -0.000 0.000 0.240 18 G HA3 0.324 4.284 3.960 -0.000 0.000 0.240 18 G C 0.778 175.360 174.900 -0.530 0.000 1.270 18 G CA 0.276 44.469 45.100 -1.512 0.000 0.901 18 G HN 0.968 nan 8.290 nan 0.000 0.507 19 I N 0.356 120.775 120.570 -0.253 0.000 4.240 19 I HA 0.549 4.719 4.170 -0.000 0.000 0.331 19 I C 0.644 176.686 176.117 -0.125 0.000 1.381 19 I CA -0.224 61.068 61.300 -0.013 0.000 1.136 19 I CB 0.774 38.855 38.000 0.135 0.000 1.137 19 I HN 0.545 nan 8.210 nan 0.000 0.411 20 G N 1.722 110.481 108.800 -0.069 0.000 2.755 20 G HA2 0.659 4.618 3.960 -0.000 0.000 0.297 20 G HA3 0.659 4.618 3.960 -0.000 0.000 0.297 20 G C -2.029 172.848 174.900 -0.038 0.000 1.441 20 G CA -0.472 44.580 45.100 -0.079 0.000 0.964 20 G HN 0.111 nan 8.290 nan 0.000 0.540 21 I N 1.414 121.923 120.570 -0.103 0.000 2.731 21 I HA 0.483 4.653 4.170 -0.000 0.000 0.289 21 I C -0.112 175.948 176.117 -0.094 0.000 1.399 21 I CA 0.082 61.325 61.300 -0.095 0.000 1.048 21 I CB 1.825 39.736 38.000 -0.148 0.000 1.345 21 I HN 0.785 nan 8.210 nan 0.000 0.425 22 N N 3.656 122.318 118.700 -0.063 0.000 1.175 22 N HA -0.215 4.525 4.740 -0.000 0.000 0.114 22 N C 0.612 176.087 175.510 -0.058 0.000 0.804 22 N CA 1.964 54.980 53.050 -0.055 0.000 0.858 22 N CB -1.137 37.310 38.487 -0.067 0.000 1.032 22 N HN 0.973 nan 8.380 nan 0.000 0.617 23 G N -0.079 108.682 108.800 -0.066 0.000 3.936 23 G HA2 0.411 4.371 3.960 -0.000 0.000 0.296 23 G HA3 0.411 4.371 3.960 -0.000 0.000 0.296 23 G C -0.406 174.438 174.900 -0.094 0.000 1.121 23 G CA 0.010 45.069 45.100 -0.068 0.000 0.899 23 G HN 0.401 nan 8.290 nan 0.000 0.542 24 Q N -0.372 119.356 119.800 -0.120 0.000 2.445 24 Q HA 0.652 4.992 4.340 -0.000 0.000 0.281 24 Q C -0.766 175.092 176.000 -0.237 0.000 1.101 24 Q CA -0.991 54.716 55.803 -0.159 0.000 0.833 24 Q CB 2.029 30.680 28.738 -0.146 0.000 1.416 24 Q HN 0.111 nan 8.270 nan 0.000 0.451 25 L N 0.983 122.003 121.223 -0.338 0.000 2.418 25 L HA 0.293 4.633 4.340 -0.000 0.000 0.265 25 L C -1.794 174.667 176.870 -0.681 0.000 1.143 25 L CA -1.695 52.762 54.840 -0.639 0.000 0.809 25 L CB 0.190 41.766 42.059 -0.805 0.000 1.124 25 L HN 0.473 nan 8.230 nan 0.000 0.456 26 P HA -0.004 nan 4.420 nan 0.000 0.252 26 P C -1.364 175.856 177.300 -0.133 0.000 1.265 26 P CA 0.345 63.188 63.100 -0.427 0.000 0.775 26 P CB -0.178 31.370 31.700 -0.254 0.000 1.128 27 W N -2.745 118.549 121.300 -0.011 0.000 2.937 27 W HA 0.582 5.242 4.660 -0.000 0.000 0.360 27 W C -1.525 174.975 176.519 -0.032 0.000 1.215 27 W CA -1.221 56.113 57.345 -0.019 0.000 1.183 27 W CB -0.040 29.413 29.460 -0.011 0.000 1.458 27 W HN -0.243 nan 8.180 nan 0.000 0.574 28 S N 0.826 116.713 115.700 0.310 0.000 2.647 28 S HA 0.797 5.267 4.470 -0.000 0.000 0.300 28 S C -1.337 173.364 174.600 0.168 0.000 1.129 28 S CA -0.630 57.702 58.200 0.220 0.000 1.029 28 S CB 0.865 64.117 63.200 0.086 0.000 1.007 28 S HN 0.593 nan 8.310 nan 0.000 0.484 29 I N 3.648 124.299 120.570 0.134 0.000 2.521 29 I HA 0.203 4.372 4.170 -0.000 0.000 0.277 29 I C 1.038 177.146 176.117 -0.015 0.000 1.054 29 I CA -0.570 60.701 61.300 -0.048 0.000 1.117 29 I CB 1.933 39.734 38.000 -0.331 0.000 1.217 29 I HN 0.884 nan 8.210 nan 0.000 0.469 30 S N 1.836 117.545 115.700 0.015 0.000 2.547 30 S HA -0.082 4.388 4.470 -0.000 0.000 0.235 30 S C 1.268 175.896 174.600 0.047 0.000 0.980 30 S CA 0.639 58.860 58.200 0.034 0.000 0.941 30 S CB -0.114 63.107 63.200 0.035 0.000 0.763 30 S HN 0.616 nan 8.310 nan 0.000 0.532 31 E N 1.822 122.042 120.200 0.035 0.000 2.107 31 E HA -0.026 4.324 4.350 -0.000 0.000 0.191 31 E C 1.622 178.307 176.600 0.143 0.000 0.982 31 E CA 1.174 57.623 56.400 0.081 0.000 0.809 31 E CB -0.324 29.452 29.700 0.127 0.000 0.756 31 E HN 0.662 nan 8.360 nan 0.000 0.459 32 D N -0.398 120.059 120.400 0.095 0.000 2.194 32 D HA -0.028 4.612 4.640 -0.000 0.000 0.204 32 D C 1.581 178.056 176.300 0.291 0.000 0.964 32 D CA 0.573 54.709 54.000 0.226 0.000 0.846 32 D CB 0.138 40.974 40.800 0.059 0.000 0.962 32 D HN 0.084 nan 8.370 nan 0.000 0.490 33 L N -0.127 121.195 121.223 0.164 0.000 2.156 33 L HA -0.039 4.301 4.340 -0.000 0.000 0.208 33 L C 2.475 179.438 176.870 0.155 0.000 1.095 33 L CA 0.785 55.696 54.840 0.118 0.000 0.770 33 L CB -0.282 41.791 42.059 0.023 0.000 0.914 33 L HN -0.005 nan 8.230 nan 0.000 0.439 34 K N -0.230 120.250 120.400 0.133 0.000 2.057 34 K HA -0.197 4.122 4.320 -0.000 0.000 0.206 34 K C 2.052 178.707 176.600 0.091 0.000 1.050 34 K CA 1.450 57.793 56.287 0.094 0.000 0.935 34 K CB -0.159 32.383 32.500 0.070 0.000 0.715 34 K HN 0.034 nan 8.250 nan 0.000 0.439 35 F N 0.853 120.791 119.950 -0.019 0.000 2.026 35 F HA -0.288 4.239 4.527 -0.000 0.000 0.296 35 F C 1.998 177.756 175.800 -0.069 0.000 1.133 35 F CA 1.673 59.609 58.000 -0.107 0.000 1.188 35 F CB -0.726 38.199 39.000 -0.126 0.000 0.968 35 F HN 0.034 nan 8.300 nan 0.000 0.476 36 F N 0.591 120.572 119.950 0.053 0.000 2.111 36 F HA -0.332 4.195 4.527 -0.000 0.000 0.300 36 F C 2.769 178.427 175.800 -0.236 0.000 1.088 36 F CA 2.125 60.074 58.000 -0.085 0.000 1.243 36 F CB -1.261 37.775 39.000 0.060 0.000 0.996 36 F HN 0.156 nan 8.300 nan 0.000 0.483 37 S N -0.467 115.345 115.700 0.186 0.000 2.368 37 S HA -0.144 4.326 4.470 -0.000 0.000 0.224 37 S C 2.236 176.744 174.600 -0.153 0.000 1.029 37 S CA 1.030 59.276 58.200 0.077 0.000 0.988 37 S CB -0.305 62.938 63.200 0.071 0.000 0.838 37 S HN 0.299 nan 8.310 nan 0.000 0.462 38 K N 0.890 121.154 120.400 -0.227 0.000 1.991 38 K HA 0.015 4.335 4.320 -0.000 0.000 0.207 38 K C 2.138 178.507 176.600 -0.385 0.000 1.045 38 K CA 1.257 57.383 56.287 -0.269 0.000 0.937 38 K CB -0.945 31.404 32.500 -0.252 0.000 0.720 38 K HN 0.497 nan 8.250 nan 0.000 0.438 39 I N 1.339 121.548 120.570 -0.601 0.000 2.142 39 I HA -0.246 3.924 4.170 -0.000 0.000 0.240 39 I C 1.819 177.492 176.117 -0.740 0.000 1.078 39 I CA 1.863 62.771 61.300 -0.653 0.000 1.343 39 I CB -0.773 36.665 38.000 -0.937 0.000 1.046 39 I HN 0.100 nan 8.210 nan 0.000 0.405 40 T N 0.362 114.267 114.554 -1.081 0.000 2.882 40 T HA -0.251 4.099 4.350 -0.000 0.000 0.268 40 T C 1.511 175.850 174.700 -0.602 0.000 1.104 40 T CA 2.101 63.401 62.100 -1.333 0.000 1.118 40 T CB -0.746 67.460 68.868 -1.103 0.000 0.831 40 T HN 0.544 nan 8.240 nan 0.000 0.529 41 N N -0.210 118.269 118.700 -0.368 0.000 2.181 41 N HA 0.099 4.839 4.740 -0.000 0.000 0.207 41 N C -0.022 175.425 175.510 -0.106 0.000 1.182 41 N CA -0.251 52.699 53.050 -0.167 0.000 0.893 41 N CB 0.344 38.753 38.487 -0.129 0.000 1.032 41 N HN 0.034 nan 8.380 nan 0.000 0.513 42 N N 2.327 120.947 118.700 -0.134 0.000 2.429 42 N HA -0.047 4.693 4.740 -0.000 0.000 0.271 42 N C -1.230 174.286 175.510 0.010 0.000 1.272 42 N CA 0.603 53.614 53.050 -0.066 0.000 0.921 42 N CB 0.069 38.502 38.487 -0.089 0.000 1.128 42 N HN 0.236 nan 8.380 nan 0.000 0.481 43 K N 1.303 121.708 120.400 0.008 0.000 2.523 43 K HA 0.448 4.768 4.320 -0.000 0.000 0.257 43 K C -0.242 176.367 176.600 0.015 0.000 0.932 43 K CA -0.939 55.365 56.287 0.028 0.000 0.812 43 K CB 0.528 33.046 32.500 0.030 0.000 1.326 43 K HN 0.218 nan 8.250 nan 0.000 0.433 44 C N 0.489 119.800 119.300 0.018 0.000 2.576 44 C HA 0.070 4.530 4.460 -0.000 0.000 0.281 44 C C 0.615 175.610 174.990 0.009 0.000 1.292 44 C CA 0.908 59.932 59.018 0.011 0.000 1.697 44 C CB -0.626 27.121 27.740 0.011 0.000 2.109 44 C HN 0.959 nan 8.230 nan 0.000 0.497 45 D N 0.130 120.536 120.400 0.011 0.000 2.304 45 D HA 0.148 4.788 4.640 -0.000 0.000 0.250 45 D C 0.997 177.303 176.300 0.010 0.000 1.107 45 D CA 0.280 54.285 54.000 0.009 0.000 0.885 45 D CB 1.392 42.197 40.800 0.009 0.000 1.192 45 D HN 0.404 nan 8.370 nan 0.000 0.436 46 S N 2.291 117.995 115.700 0.008 0.000 2.478 46 S HA -0.023 4.447 4.470 -0.000 0.000 0.222 46 S C 1.131 175.737 174.600 0.010 0.000 1.008 46 S CA 0.007 58.212 58.200 0.009 0.000 0.928 46 S CB -0.115 63.089 63.200 0.006 0.000 0.781 46 S HN 0.538 nan 8.310 nan 0.000 0.518 47 N N 1.705 120.410 118.700 0.009 0.000 2.471 47 N HA 0.138 4.878 4.740 -0.000 0.000 0.205 47 N C -0.453 175.064 175.510 0.011 0.000 1.251 47 N CA 0.438 53.493 53.050 0.009 0.000 0.843 47 N CB 0.149 38.641 38.487 0.007 0.000 1.044 47 N HN 0.511 nan 8.380 nan 0.000 0.461 48 K N 0.260 120.668 120.400 0.014 0.000 2.509 48 K HA 0.463 4.783 4.320 -0.000 0.000 0.266 48 K C -0.820 175.794 176.600 0.024 0.000 0.987 48 K CA -0.647 55.650 56.287 0.017 0.000 0.868 48 K CB 2.453 34.962 32.500 0.016 0.000 1.421 48 K HN -0.170 nan 8.250 nan 0.000 0.444 49 K N 0.992 121.410 120.400 0.030 0.000 2.435 49 K HA 0.383 4.703 4.320 -0.000 0.000 0.251 49 K C -0.902 175.734 176.600 0.060 0.000 0.954 49 K CA -1.018 55.294 56.287 0.041 0.000 0.820 49 K CB 1.617 34.140 32.500 0.039 0.000 1.292 49 K HN 0.418 nan 8.250 nan 0.000 0.436 50 N N 0.227 118.982 118.700 0.092 0.000 2.408 50 N HA 0.509 5.249 4.740 -0.000 0.000 0.260 50 N C -1.057 174.538 175.510 0.141 0.000 1.242 50 N CA -0.318 52.828 53.050 0.160 0.000 0.959 50 N CB 1.126 39.809 38.487 0.325 0.000 1.201 50 N HN 0.634 nan 8.380 nan 0.000 0.511 51 A N 0.229 123.149 122.820 0.167 0.000 2.435 51 A HA 0.736 5.056 4.320 -0.000 0.000 0.304 51 A C -1.372 176.325 177.584 0.188 0.000 1.064 51 A CA -0.671 51.444 52.037 0.129 0.000 0.727 51 A CB 0.782 19.816 19.000 0.056 0.000 1.284 51 A HN 0.511 nan 8.150 nan 0.000 0.415 52 L N 2.286 123.599 121.223 0.150 0.000 2.349 52 L HA 0.540 4.880 4.340 -0.000 0.000 0.278 52 L C -1.103 175.833 176.870 0.109 0.000 0.996 52 L CA -0.679 54.265 54.840 0.172 0.000 0.825 52 L CB 1.344 43.522 42.059 0.199 0.000 1.243 52 L HN 0.514 nan 8.230 nan 0.000 0.412 53 I N 4.457 125.086 120.570 0.098 0.000 2.472 53 I HA 0.497 4.667 4.170 -0.000 0.000 0.290 53 I C 0.240 176.399 176.117 0.071 0.000 1.016 53 I CA 0.191 61.522 61.300 0.051 0.000 1.348 53 I CB 1.445 39.458 38.000 0.022 0.000 1.417 53 I HN 0.664 nan 8.210 nan 0.000 0.521 54 M N 3.279 122.902 119.600 0.038 0.000 2.471 54 M HA 0.669 5.149 4.480 -0.000 0.000 0.284 54 M C -0.290 176.026 176.300 0.027 0.000 1.203 54 M CA -0.892 54.432 55.300 0.040 0.000 0.915 54 M CB 1.297 33.959 32.600 0.103 0.000 1.734 54 M HN 0.527 nan 8.290 nan 0.000 0.485 55 G N 1.036 109.846 108.800 0.017 0.000 2.699 55 G HA2 0.188 4.148 3.960 -0.000 0.000 0.246 55 G HA3 0.188 4.148 3.960 -0.000 0.000 0.246 55 G C 0.259 175.216 174.900 0.095 0.000 1.219 55 G CA -0.415 44.706 45.100 0.036 0.000 0.866 55 G HN 0.951 nan 8.290 nan 0.000 0.572 56 R N -0.108 120.454 120.500 0.103 0.000 2.119 56 R HA 0.021 4.360 4.340 -0.000 0.000 0.222 56 R C 2.178 178.588 176.300 0.183 0.000 1.088 56 R CA 0.885 57.093 56.100 0.180 0.000 0.984 56 R CB -0.182 30.205 30.300 0.144 0.000 0.884 56 R HN 0.537 nan 8.270 nan 0.000 0.447 57 K N -0.555 119.907 120.400 0.103 0.000 2.217 57 K HA -0.040 4.280 4.320 -0.000 0.000 0.202 57 K C 1.791 178.425 176.600 0.057 0.000 1.051 57 K CA 1.457 57.782 56.287 0.065 0.000 0.952 57 K CB 0.113 32.636 32.500 0.039 0.000 0.736 57 K HN 0.147 nan 8.250 nan 0.000 0.453 58 T N 0.636 115.239 114.554 0.081 0.000 2.770 58 T HA -0.154 4.195 4.350 -0.000 0.000 0.263 58 T C 1.193 175.972 174.700 0.133 0.000 1.039 58 T CA 0.815 62.961 62.100 0.076 0.000 1.142 58 T CB -0.241 68.666 68.868 0.066 0.000 0.868 58 T HN 0.501 nan 8.240 nan 0.000 0.435 59 W N 2.281 123.575 121.300 -0.011 0.000 2.387 59 W HA -0.173 4.487 4.660 -0.000 0.000 0.272 59 W C 0.984 177.495 176.519 -0.013 0.000 1.224 59 W CA 0.962 58.304 57.345 -0.005 0.000 1.210 59 W CB -0.200 29.265 29.460 0.009 0.000 1.125 59 W HN 0.262 nan 8.180 nan 0.000 0.572 60 D N 0.390 120.754 120.400 -0.061 0.000 2.097 60 D HA -0.169 4.471 4.640 -0.000 0.000 0.195 60 D C 2.444 178.637 176.300 -0.178 0.000 0.989 60 D CA 2.191 56.081 54.000 -0.184 0.000 0.827 60 D CB -0.576 40.183 40.800 -0.069 0.000 0.966 60 D HN 0.018 nan 8.370 nan 0.000 0.456 61 S N 0.046 115.688 115.700 -0.098 0.000 2.400 61 S HA -0.078 4.392 4.470 -0.000 0.000 0.232 61 S C 1.918 176.440 174.600 -0.129 0.000 1.025 61 S CA 0.491 58.631 58.200 -0.099 0.000 0.993 61 S CB -0.079 63.080 63.200 -0.069 0.000 0.808 61 S HN 0.309 nan 8.310 nan 0.000 0.478 62 I N 1.192 121.676 120.570 -0.144 0.000 3.564 62 I HA 0.071 4.241 4.170 -0.000 0.000 0.294 62 I C 1.495 177.467 176.117 -0.242 0.000 1.289 62 I CA 0.096 61.304 61.300 -0.153 0.000 1.325 62 I CB -0.640 37.321 38.000 -0.066 0.000 1.039 62 I HN 0.430 nan 8.210 nan 0.000 0.474 63 G N 2.419 111.038 108.800 -0.302 0.000 2.283 63 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.280 63 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.280 63 G C 0.432 175.024 174.900 -0.513 0.000 1.029 63 G CA 0.075 44.974 45.100 -0.335 0.000 0.840 63 G HN 0.567 nan 8.290 nan 0.000 0.505 64 R N -1.644 118.264 120.500 -0.987 0.000 3.127 64 R HA -0.199 4.141 4.340 -0.000 0.000 0.247 64 R C 0.206 176.060 176.300 -0.743 0.000 0.896 64 R CA 1.503 56.567 56.100 -1.726 0.000 0.624 64 R CB -1.302 28.297 30.300 -1.168 0.000 1.154 64 R HN 0.769 nan 8.270 nan 0.000 0.474 65 R N 0.668 120.944 120.500 -0.373 0.000 2.574 65 R HA 0.377 4.717 4.340 -0.000 0.000 0.288 65 R C -2.317 174.091 176.300 0.181 0.000 1.004 65 R CA -2.100 53.993 56.100 -0.013 0.000 0.895 65 R CB 1.962 32.228 30.300 -0.056 0.000 1.191 65 R HN -0.026 nan 8.270 nan 0.000 0.444 66 P HA -0.024 nan 4.420 nan 0.000 0.267 66 P C -0.616 176.763 177.300 0.132 0.000 1.201 66 P CA 0.091 63.304 63.100 0.188 0.000 0.775 66 P CB 0.885 32.660 31.700 0.125 0.000 0.854 67 L N 1.926 123.226 121.223 0.127 0.000 2.296 67 L HA 0.346 4.686 4.340 -0.000 0.000 0.286 67 L C 1.062 177.976 176.870 0.073 0.000 1.023 67 L CA -0.985 53.913 54.840 0.097 0.000 0.812 67 L CB 1.219 43.353 42.059 0.125 0.000 1.223 67 L HN 0.348 nan 8.230 nan 0.000 0.421 68 K N 2.791 123.223 120.400 0.052 0.000 2.518 68 K HA -0.046 4.274 4.320 -0.000 0.000 0.276 68 K C 0.625 177.245 176.600 0.034 0.000 0.974 68 K CA 0.409 56.719 56.287 0.038 0.000 0.986 68 K CB 0.247 32.763 32.500 0.027 0.000 0.901 68 K HN 0.678 nan 8.250 nan 0.000 0.497 69 N N 0.294 119.012 118.700 0.029 0.000 2.927 69 N HA -0.236 4.504 4.740 -0.000 0.000 0.220 69 N C -0.368 175.161 175.510 0.032 0.000 0.845 69 N CA 1.633 54.697 53.050 0.024 0.000 1.089 69 N CB -0.812 37.682 38.487 0.013 0.000 0.994 69 N HN 0.549 nan 8.380 nan 0.000 0.616 70 R N 0.152 120.678 120.500 0.043 0.000 2.705 70 R HA 0.768 5.108 4.340 -0.000 0.000 0.246 70 R C 0.042 176.378 176.300 0.061 0.000 1.142 70 R CA -0.566 55.567 56.100 0.055 0.000 1.114 70 R CB 1.150 31.486 30.300 0.060 0.000 1.256 70 R HN 0.040 nan 8.270 nan 0.000 0.536 71 I N 1.388 121.999 120.570 0.067 0.000 2.468 71 I HA 0.324 4.494 4.170 -0.000 0.000 0.285 71 I C -0.623 175.526 176.117 0.053 0.000 1.039 71 I CA -0.373 60.959 61.300 0.053 0.000 1.074 71 I CB 1.659 39.688 38.000 0.047 0.000 1.228 71 I HN 0.330 nan 8.210 nan 0.000 0.436 72 I N 6.284 126.868 120.570 0.022 0.000 2.713 72 I HA 0.394 4.564 4.170 -0.000 0.000 0.300 72 I C -0.494 175.582 176.117 -0.069 0.000 1.009 72 I CA -0.785 60.505 61.300 -0.016 0.000 1.305 72 I CB 1.732 39.699 38.000 -0.054 0.000 1.430 72 I HN 0.159 nan 8.210 nan 0.000 0.546 73 V N 5.700 125.574 119.914 -0.067 0.000 2.462 73 V HA 0.222 4.342 4.120 -0.000 0.000 0.288 73 V C -0.216 175.815 176.094 -0.106 0.000 1.020 73 V CA -0.628 61.652 62.300 -0.034 0.000 0.857 73 V CB 1.582 33.435 31.823 0.049 0.000 1.013 73 V HN 0.375 nan 8.190 nan 0.000 0.431 74 V N 5.833 125.598 119.914 -0.247 0.000 2.546 74 V HA 0.444 4.564 4.120 -0.000 0.000 0.284 74 V C -0.080 175.974 176.094 -0.067 0.000 1.050 74 V CA -0.445 61.711 62.300 -0.240 0.000 0.981 74 V CB 1.638 33.133 31.823 -0.545 0.000 0.990 74 V HN 0.633 nan 8.190 nan 0.000 0.474 75 I N 4.519 125.082 120.570 -0.011 0.000 2.306 75 I HA 0.503 4.672 4.170 -0.000 0.000 0.288 75 I C 0.250 176.386 176.117 0.032 0.000 1.036 75 I CA 0.949 62.269 61.300 0.034 0.000 1.221 75 I CB 1.237 39.259 38.000 0.037 0.000 1.385 75 I HN 0.761 nan 8.210 nan 0.000 0.472 76 S N 3.121 118.839 115.700 0.031 0.000 2.607 76 S HA 0.546 5.016 4.470 -0.000 0.000 0.273 76 S C 0.741 175.359 174.600 0.030 0.000 1.148 76 S CA 0.111 58.331 58.200 0.034 0.000 0.833 76 S CB 1.366 64.588 63.200 0.037 0.000 1.130 76 S HN 0.526 nan 8.310 nan 0.000 0.470 77 S N 1.361 117.079 115.700 0.030 0.000 2.475 77 S HA 0.048 4.518 4.470 -0.000 0.000 0.224 77 S C 1.771 176.382 174.600 0.018 0.000 1.042 77 S CA 0.990 59.204 58.200 0.024 0.000 0.935 77 S CB -0.598 62.617 63.200 0.026 0.000 0.801 77 S HN 0.985 nan 8.310 nan 0.000 0.509 78 S N 1.385 117.099 115.700 0.023 0.000 2.427 78 S HA 0.295 4.765 4.470 -0.000 0.000 0.224 78 S C 0.708 175.320 174.600 0.021 0.000 1.047 78 S CA -0.437 57.776 58.200 0.021 0.000 0.953 78 S CB -1.028 62.188 63.200 0.027 0.000 0.824 78 S HN 0.442 nan 8.310 nan 0.000 0.502 79 L N 3.766 125.007 121.223 0.030 0.000 2.700 79 L HA 0.137 4.477 4.340 -0.000 0.000 0.276 79 L C -2.323 174.548 176.870 0.002 0.000 1.200 79 L CA -1.336 53.525 54.840 0.035 0.000 0.951 79 L CB 0.182 42.269 42.059 0.047 0.000 1.226 79 L HN 0.188 nan 8.230 nan 0.000 0.489 80 P HA -0.030 nan 4.420 nan 0.000 0.268 80 P C -0.802 176.475 177.300 -0.039 0.000 1.208 80 P CA -0.230 62.863 63.100 -0.013 0.000 0.777 80 P CB 0.445 32.146 31.700 0.002 0.000 0.875 81 Q N 1.835 121.602 119.800 -0.055 0.000 3.107 81 Q HA 0.010 4.350 4.340 -0.000 0.000 0.268 81 Q C -0.015 175.950 176.000 -0.059 0.000 1.382 81 Q CA 0.080 55.833 55.803 -0.082 0.000 0.927 81 Q CB -1.036 27.647 28.738 -0.091 0.000 1.755 81 Q HN 0.383 nan 8.270 nan 0.000 0.545 82 D N -0.450 119.924 120.400 -0.044 0.000 2.400 82 D HA -0.089 4.551 4.640 -0.000 0.000 0.238 82 D C 0.175 176.454 176.300 -0.034 0.000 1.157 82 D CA -0.003 53.982 54.000 -0.024 0.000 0.889 82 D CB 1.158 41.960 40.800 0.002 0.000 1.199 82 D HN 0.160 nan 8.370 nan 0.000 0.436 83 E N 0.152 120.340 120.200 -0.021 0.000 2.489 83 E HA 0.129 4.479 4.350 -0.000 0.000 0.204 83 E C 1.667 178.261 176.600 -0.010 0.000 1.006 83 E CA 0.089 56.476 56.400 -0.022 0.000 0.936 83 E CB 0.408 30.096 29.700 -0.020 0.000 1.002 83 E HN 0.611 nan 8.360 nan 0.000 0.488 84 A N 1.140 123.960 122.820 0.001 0.000 1.859 84 A HA -0.171 4.149 4.320 -0.000 0.000 0.218 84 A C 1.246 178.839 177.584 0.015 0.000 1.209 84 A CA 1.405 53.449 52.037 0.012 0.000 0.639 84 A CB -0.285 18.730 19.000 0.025 0.000 0.835 84 A HN 0.064 nan 8.150 nan 0.000 0.450 85 D N -0.722 119.689 120.400 0.018 0.000 2.359 85 D HA 0.321 4.961 4.640 -0.000 0.000 0.230 85 D C -1.762 174.541 176.300 0.005 0.000 1.118 85 D CA -1.900 52.114 54.000 0.023 0.000 0.844 85 D CB 1.314 42.143 40.800 0.048 0.000 1.059 85 D HN 0.104 nan 8.370 nan 0.000 0.493 86 P HA -0.037 nan 4.420 nan 0.000 0.230 86 P C 0.490 177.795 177.300 0.009 0.000 1.158 86 P CA 0.541 63.644 63.100 0.004 0.000 0.769 86 P CB 0.664 32.369 31.700 0.009 0.000 0.807 87 N N -0.547 118.164 118.700 0.018 0.000 2.388 87 N HA 0.047 4.787 4.740 -0.000 0.000 0.176 87 N C 0.542 176.055 175.510 0.004 0.000 1.062 87 N CA 0.348 53.413 53.050 0.026 0.000 0.895 87 N CB 0.520 39.035 38.487 0.048 0.000 1.018 87 N HN 0.077 nan 8.380 nan 0.000 0.456 88 V N 1.103 121.004 119.914 -0.021 0.000 2.612 88 V HA 0.576 4.696 4.120 -0.000 0.000 0.301 88 V C 0.109 176.128 176.094 -0.126 0.000 1.046 88 V CA -0.717 61.505 62.300 -0.130 0.000 0.946 88 V CB 2.296 34.023 31.823 -0.160 0.000 1.003 88 V HN -0.152 nan 8.190 nan 0.000 0.459 89 V N 3.729 123.536 119.914 -0.177 0.000 3.177 89 V HA 0.602 4.722 4.120 -0.000 0.000 0.287 89 V C -1.554 174.432 176.094 -0.179 0.000 1.465 89 V CA -0.323 61.882 62.300 -0.159 0.000 1.020 89 V CB 2.738 34.503 31.823 -0.097 0.000 1.152 89 V HN 0.635 nan 8.190 nan 0.000 0.448 90 V N 5.191 124.947 119.914 -0.263 0.000 2.604 90 V HA 0.683 4.803 4.120 -0.000 0.000 0.305 90 V C -0.873 174.997 176.094 -0.373 0.000 1.043 90 V CA -0.512 61.658 62.300 -0.217 0.000 0.888 90 V CB 1.668 33.385 31.823 -0.176 0.000 0.995 90 V HN 0.694 nan 8.190 nan 0.000 0.429 91 F N 2.656 122.558 119.950 -0.081 0.000 2.561 91 F HA 0.608 5.135 4.527 -0.000 0.000 0.321 91 F C 1.227 177.001 175.800 -0.044 0.000 1.065 91 F CA -0.925 57.040 58.000 -0.058 0.000 0.934 91 F CB 2.146 41.110 39.000 -0.061 0.000 1.215 91 F HN 0.290 nan 8.300 nan 0.000 0.471 92 R N 1.016 121.604 120.500 0.146 0.000 2.161 92 R HA 0.080 4.420 4.340 -0.000 0.000 0.213 92 R C -0.195 176.152 176.300 0.078 0.000 1.055 92 R CA 0.531 56.677 56.100 0.076 0.000 0.996 92 R CB -0.542 29.789 30.300 0.050 0.000 0.901 92 R HN 0.757 nan 8.270 nan 0.000 0.456 93 N N -0.665 118.094 118.700 0.098 0.000 2.416 93 N HA -0.012 4.728 4.740 -0.000 0.000 0.276 93 N C 0.518 176.050 175.510 0.037 0.000 1.261 93 N CA -0.560 52.528 53.050 0.064 0.000 0.790 93 N CB 1.366 39.886 38.487 0.056 0.000 1.554 93 N HN -0.196 nan 8.380 nan 0.000 0.481 94 L N 1.071 122.309 121.223 0.025 0.000 1.956 94 L HA -0.121 4.219 4.340 -0.000 0.000 0.216 94 L C 2.239 179.029 176.870 -0.134 0.000 1.073 94 L CA 2.124 56.952 54.840 -0.019 0.000 0.762 94 L CB -1.217 40.878 42.059 0.059 0.000 0.889 94 L HN 0.909 nan 8.230 nan 0.000 0.433 95 E N -0.973 119.169 120.200 -0.096 0.000 2.169 95 E HA -0.320 4.029 4.350 -0.000 0.000 0.202 95 E C 1.860 178.286 176.600 -0.288 0.000 1.016 95 E CA 1.819 58.073 56.400 -0.244 0.000 0.817 95 E CB -0.208 29.479 29.700 -0.022 0.000 0.736 95 E HN 0.645 nan 8.360 nan 0.000 0.462 96 D N -0.456 119.835 120.400 -0.181 0.000 2.149 96 D HA -0.097 4.543 4.640 -0.000 0.000 0.201 96 D C 2.104 178.121 176.300 -0.472 0.000 0.972 96 D CA 1.258 55.164 54.000 -0.157 0.000 0.835 96 D CB 0.030 40.871 40.800 0.069 0.000 0.966 96 D HN 0.211 nan 8.370 nan 0.000 0.476 97 S N 0.950 116.148 115.700 -0.836 0.000 2.372 97 S HA -0.217 4.253 4.470 -0.000 0.000 0.227 97 S C 1.826 175.903 174.600 -0.871 0.000 1.044 97 S CA 0.763 58.008 58.200 -1.592 0.000 1.050 97 S CB -1.028 61.581 63.200 -0.985 0.000 0.901 97 S HN 0.337 nan 8.310 nan 0.000 0.447 98 I N 3.162 123.396 120.570 -0.560 0.000 3.111 98 I HA -0.017 4.152 4.170 -0.000 0.000 0.295 98 I C 1.300 177.238 176.117 -0.298 0.000 1.026 98 I CA 0.324 61.383 61.300 -0.400 0.000 1.843 98 I CB -0.941 36.785 38.000 -0.457 0.000 1.247 98 I HN 0.469 nan 8.210 nan 0.000 0.801 99 E N -1.011 119.019 120.200 -0.284 0.000 2.479 99 E HA -0.018 4.332 4.350 -0.000 0.000 0.193 99 E C 1.354 177.897 176.600 -0.095 0.000 1.049 99 E CA 0.044 56.366 56.400 -0.130 0.000 0.870 99 E CB -0.237 29.446 29.700 -0.028 0.000 0.944 99 E HN 0.323 nan 8.360 nan 0.000 0.492 100 N N 0.994 119.604 118.700 -0.150 0.000 2.205 100 N HA -0.119 4.621 4.740 -0.000 0.000 0.186 100 N C 1.447 176.915 175.510 -0.071 0.000 1.015 100 N CA 1.119 54.114 53.050 -0.093 0.000 0.862 100 N CB -0.026 38.389 38.487 -0.121 0.000 0.986 100 N HN 0.354 nan 8.380 nan 0.000 0.429 101 L N -0.269 120.902 121.223 -0.087 0.000 2.217 101 L HA -0.003 4.337 4.340 -0.000 0.000 0.211 101 L C 1.866 178.711 176.870 -0.041 0.000 1.107 101 L CA 0.419 55.222 54.840 -0.062 0.000 0.783 101 L CB -0.196 41.823 42.059 -0.068 0.000 0.919 101 L HN 0.065 nan 8.230 nan 0.000 0.442 102 M N 0.758 120.333 119.600 -0.042 0.000 2.722 102 M HA 0.011 4.491 4.480 -0.000 0.000 0.238 102 M C 0.409 176.701 176.300 -0.013 0.000 1.098 102 M CA 0.431 55.716 55.300 -0.025 0.000 1.062 102 M CB -1.397 31.190 32.600 -0.022 0.000 1.573 102 M HN 0.605 nan 8.290 nan 0.000 0.531 103 N N -2.929 115.763 118.700 -0.014 0.000 3.296 103 N HA -0.105 4.634 4.740 -0.000 0.000 0.272 103 N C -1.555 173.953 175.510 -0.003 0.000 1.219 103 N CA -0.248 52.799 53.050 -0.004 0.000 0.705 103 N CB -0.532 37.957 38.487 0.003 0.000 1.681 103 N HN 0.038 nan 8.380 nan 0.000 0.306 104 D N -1.047 119.357 120.400 0.006 0.000 2.735 104 D HA -0.116 4.524 4.640 -0.000 0.000 0.235 104 D C -0.829 175.473 176.300 0.003 0.000 1.175 104 D CA 1.063 55.069 54.000 0.009 0.000 0.683 104 D CB -1.444 39.364 40.800 0.013 0.000 1.008 104 D HN 0.530 nan 8.370 nan 0.000 0.416 105 D N -0.472 119.930 120.400 0.002 0.000 2.420 105 D HA -0.085 4.555 4.640 -0.000 0.000 0.233 105 D C 1.463 177.765 176.300 0.004 0.000 1.017 105 D CA 1.270 55.270 54.000 0.001 0.000 0.951 105 D CB -0.041 40.759 40.800 0.001 0.000 0.877 105 D HN 0.583 nan 8.370 nan 0.000 0.528 106 S N -0.912 114.793 115.700 0.007 0.000 2.535 106 S HA 0.128 4.598 4.470 -0.000 0.000 0.214 106 S C 0.579 175.186 174.600 0.013 0.000 0.980 106 S CA -0.419 57.787 58.200 0.010 0.000 0.907 106 S CB 0.504 63.712 63.200 0.012 0.000 0.790 106 S HN -0.035 nan 8.310 nan 0.000 0.510 107 I N 2.422 122.997 120.570 0.009 0.000 2.315 107 I HA 0.394 4.564 4.170 -0.000 0.000 0.291 107 I C 1.117 177.233 176.117 -0.002 0.000 1.006 107 I CA -0.490 60.814 61.300 0.008 0.000 1.265 107 I CB 1.435 39.436 38.000 0.002 0.000 1.387 107 I HN 0.181 nan 8.210 nan 0.000 0.475 108 E N 4.826 125.030 120.200 0.006 0.000 2.065 108 E HA 0.114 4.464 4.350 -0.000 0.000 0.191 108 E C 0.152 176.730 176.600 -0.037 0.000 0.960 108 E CA 0.618 57.015 56.400 -0.004 0.000 0.824 108 E CB 0.422 30.131 29.700 0.015 0.000 0.793 108 E HN 0.611 nan 8.360 nan 0.000 0.459 109 N N -0.229 118.447 118.700 -0.041 0.000 2.381 109 N HA 0.407 5.147 4.740 -0.000 0.000 0.294 109 N C -1.117 174.244 175.510 -0.248 0.000 1.216 109 N CA -0.491 52.447 53.050 -0.186 0.000 0.803 109 N CB 2.082 40.425 38.487 -0.240 0.000 1.372 109 N HN -0.004 nan 8.380 nan 0.000 0.500 110 I N 0.971 121.246 120.570 -0.492 0.000 2.533 110 I HA 0.446 4.616 4.170 -0.000 0.000 0.290 110 I C -1.300 174.437 176.117 -0.633 0.000 1.056 110 I CA -0.485 60.609 61.300 -0.344 0.000 1.057 110 I CB 1.404 39.295 38.000 -0.181 0.000 1.240 110 I HN 0.319 nan 8.210 nan 0.000 0.423 111 F N 4.739 124.697 119.950 0.012 0.000 2.565 111 F HA 0.560 5.087 4.527 -0.000 0.000 0.313 111 F C -0.328 175.510 175.800 0.064 0.000 1.091 111 F CA -1.029 56.987 58.000 0.027 0.000 0.915 111 F CB 1.945 40.901 39.000 -0.073 0.000 1.208 111 F HN -0.091 nan 8.300 nan 0.000 0.453 112 V N 2.072 122.165 119.914 0.299 0.000 2.277 112 V HA 0.088 4.208 4.120 -0.000 0.000 0.269 112 V C 0.101 176.397 176.094 0.336 0.000 1.036 112 V CA -0.538 61.921 62.300 0.265 0.000 0.821 112 V CB 0.530 32.516 31.823 0.271 0.000 1.052 112 V HN 1.105 nan 8.190 nan 0.000 0.462 113 C N 2.539 122.005 119.300 0.277 0.000 2.514 113 C HA 0.523 4.983 4.460 -0.000 0.000 0.271 113 C C 1.781 176.889 174.990 0.195 0.000 1.399 113 C CA 0.348 59.583 59.018 0.361 0.000 1.765 113 C CB -1.313 26.711 27.740 0.474 0.000 1.893 113 C HN 1.203 nan 8.230 nan 0.000 0.531 114 G N 0.233 108.979 108.800 -0.091 0.000 2.826 114 G HA2 0.387 4.347 3.960 -0.000 0.000 0.233 114 G HA3 0.387 4.347 3.960 -0.000 0.000 0.233 114 G C 0.198 174.834 174.900 -0.439 0.000 1.296 114 G CA -0.010 44.630 45.100 -0.766 0.000 1.001 114 G HN 2.067 nan 8.290 nan 0.000 0.576 115 G N -0.686 107.863 108.800 -0.419 0.000 2.777 115 G HA2 0.301 4.261 3.960 -0.000 0.000 0.686 115 G HA3 0.301 4.261 3.960 -0.000 0.000 0.686 115 G C 0.405 175.184 174.900 -0.201 0.000 1.177 115 G CA 1.035 46.018 45.100 -0.196 0.000 0.775 115 G HN 1.742 nan 8.290 nan 0.000 0.613 116 E N 0.698 120.936 120.200 0.063 0.000 2.110 116 E HA -0.164 4.186 4.350 -0.000 0.000 0.193 116 E C 2.710 179.397 176.600 0.145 0.000 0.988 116 E CA 2.156 58.689 56.400 0.221 0.000 0.804 116 E CB -0.138 29.688 29.700 0.209 0.000 0.745 116 E HN 1.020 nan 8.360 nan 0.000 0.458 117 S N 0.669 116.411 115.700 0.070 0.000 2.359 117 S HA -0.150 4.320 4.470 -0.000 0.000 0.224 117 S C 1.965 176.595 174.600 0.050 0.000 1.035 117 S CA 1.214 59.447 58.200 0.056 0.000 1.018 117 S CB -0.329 62.896 63.200 0.042 0.000 0.876 117 S HN 0.323 nan 8.310 nan 0.000 0.448 118 I N 0.364 120.928 120.570 -0.009 0.000 3.111 118 I HA 0.039 4.209 4.170 -0.000 0.000 0.272 118 I C 1.910 178.053 176.117 0.043 0.000 1.268 118 I CA 0.523 61.817 61.300 -0.011 0.000 1.467 118 I CB -1.504 36.455 38.000 -0.068 0.000 1.087 118 I HN 0.255 nan 8.210 nan 0.000 0.467 119 Y N 1.278 121.653 120.300 0.125 0.000 2.130 119 Y HA -0.101 4.449 4.550 -0.000 0.000 0.287 119 Y C 2.853 178.764 175.900 0.018 0.000 1.124 119 Y CA 1.065 59.233 58.100 0.114 0.000 1.118 119 Y CB -0.974 37.577 38.460 0.152 0.000 0.994 119 Y HN 0.031 nan 8.280 nan 0.000 0.497 120 R N 0.205 120.799 120.500 0.158 0.000 2.113 120 R HA -0.221 4.119 4.340 -0.000 0.000 0.244 120 R C 1.818 178.149 176.300 0.053 0.000 1.142 120 R CA 2.072 58.201 56.100 0.047 0.000 0.953 120 R CB -0.312 30.008 30.300 0.033 0.000 0.860 120 R HN 0.324 nan 8.270 nan 0.000 0.438 121 D N -0.513 119.938 120.400 0.086 0.000 2.097 121 D HA -0.088 4.552 4.640 -0.000 0.000 0.197 121 D C 1.698 178.079 176.300 0.135 0.000 0.984 121 D CA 1.504 55.562 54.000 0.096 0.000 0.826 121 D CB -0.256 40.612 40.800 0.113 0.000 0.973 121 D HN 0.315 nan 8.370 nan 0.000 0.460 122 A N 0.240 123.178 122.820 0.197 0.000 1.972 122 A HA -0.138 4.182 4.320 -0.000 0.000 0.219 122 A C 2.102 179.787 177.584 0.168 0.000 1.169 122 A CA 0.957 53.164 52.037 0.285 0.000 0.635 122 A CB -0.400 18.771 19.000 0.286 0.000 0.810 122 A HN 0.168 nan 8.150 nan 0.000 0.446 123 L N -0.516 120.770 121.223 0.105 0.000 2.062 123 L HA 0.056 4.396 4.340 -0.000 0.000 0.202 123 L C 2.253 179.116 176.870 -0.013 0.000 1.079 123 L CA 2.028 56.900 54.840 0.053 0.000 0.755 123 L CB -0.579 41.472 42.059 -0.014 0.000 0.913 123 L HN 0.365 nan 8.230 nan 0.000 0.445 124 K N -0.629 119.750 120.400 -0.037 0.000 2.442 124 K HA -0.169 4.151 4.320 -0.000 0.000 0.199 124 K C 0.353 176.870 176.600 -0.138 0.000 1.044 124 K CA 1.179 57.426 56.287 -0.067 0.000 0.941 124 K CB 0.038 32.510 32.500 -0.046 0.000 0.759 124 K HN 0.307 nan 8.250 nan 0.000 0.472 125 D N 0.120 120.377 120.400 -0.237 0.000 2.369 125 D HA 0.001 4.641 4.640 -0.000 0.000 0.211 125 D C -0.260 175.536 176.300 -0.840 0.000 1.077 125 D CA 0.050 53.707 54.000 -0.571 0.000 0.842 125 D CB 0.004 40.343 40.800 -0.769 0.000 0.947 125 D HN 0.151 nan 8.370 nan 0.000 0.509 126 N N 0.385 118.836 118.700 -0.414 0.000 2.705 126 N HA -0.228 4.512 4.740 -0.000 0.000 0.255 126 N C -0.463 174.870 175.510 -0.295 0.000 1.008 126 N CA 0.215 53.107 53.050 -0.264 0.000 0.742 126 N CB -1.198 37.166 38.487 -0.205 0.000 0.906 126 N HN 0.257 nan 8.380 nan 0.000 0.541 127 F N -0.948 119.037 119.950 0.059 0.000 2.664 127 F HA 0.214 4.741 4.527 -0.000 0.000 0.303 127 F C 1.113 176.961 175.800 0.079 0.000 1.092 127 F CA -0.312 57.715 58.000 0.045 0.000 1.305 127 F CB 0.782 39.798 39.000 0.027 0.000 1.054 127 F HN 0.015 nan 8.300 nan 0.000 0.565 128 V N 1.322 121.390 119.914 0.257 0.000 2.311 128 V HA 0.219 4.339 4.120 -0.000 0.000 0.275 128 V C 0.340 176.678 176.094 0.407 0.000 1.022 128 V CA -0.333 62.165 62.300 0.330 0.000 0.830 128 V CB 0.621 32.659 31.823 0.358 0.000 1.012 128 V HN 0.094 nan 8.190 nan 0.000 0.452 129 D N 5.038 125.605 120.400 0.278 0.000 2.149 129 D HA 0.028 4.668 4.640 -0.000 0.000 0.201 129 D C 0.939 177.456 176.300 0.362 0.000 0.972 129 D CA 1.070 55.195 54.000 0.207 0.000 0.835 129 D CB 0.339 41.211 40.800 0.119 0.000 0.966 129 D HN 0.551 nan 8.370 nan 0.000 0.476 130 R N -0.274 120.487 120.500 0.434 0.000 2.629 130 R HA 0.447 4.786 4.340 -0.000 0.000 0.266 130 R C -1.699 174.697 176.300 0.160 0.000 1.051 130 R CA -0.494 55.811 56.100 0.341 0.000 0.895 130 R CB 1.499 31.866 30.300 0.112 0.000 1.246 130 R HN -0.147 nan 8.270 nan 0.000 0.459 131 I N 3.807 124.405 120.570 0.046 0.000 2.418 131 I HA 0.294 4.464 4.170 -0.000 0.000 0.287 131 I C -1.094 175.076 176.117 0.089 0.000 1.008 131 I CA -0.826 60.477 61.300 0.006 0.000 1.104 131 I CB 1.600 39.471 38.000 -0.214 0.000 1.264 131 I HN 0.558 nan 8.210 nan 0.000 0.438 132 Y N 6.626 127.065 120.300 0.232 0.000 2.595 132 Y HA 0.370 4.920 4.550 -0.000 0.000 0.336 132 Y C 0.008 176.036 175.900 0.212 0.000 0.996 132 Y CA -0.358 57.918 58.100 0.294 0.000 1.260 132 Y CB 0.832 39.500 38.460 0.346 0.000 1.108 132 Y HN 0.390 nan 8.280 nan 0.000 0.509 133 L N 3.924 125.345 121.223 0.330 0.000 2.265 133 L HA 0.423 4.762 4.340 -0.000 0.000 0.289 133 L C -0.363 176.582 176.870 0.126 0.000 1.033 133 L CA -0.354 54.570 54.840 0.140 0.000 0.814 133 L CB 1.084 43.233 42.059 0.151 0.000 1.203 133 L HN 0.511 nan 8.230 nan 0.000 0.423 134 T N 4.999 119.566 114.554 0.021 0.000 3.176 134 T HA 0.244 4.594 4.350 -0.000 0.000 0.301 134 T C 0.324 174.901 174.700 -0.205 0.000 1.115 134 T CA -0.472 61.516 62.100 -0.187 0.000 1.027 134 T CB -0.492 68.233 68.868 -0.239 0.000 1.063 134 T HN 0.513 nan 8.240 nan 0.000 0.669 135 R N 2.103 122.512 120.500 -0.150 0.000 2.457 135 R HA 0.221 4.561 4.340 -0.000 0.000 0.335 135 R C -0.441 175.757 176.300 -0.171 0.000 1.003 135 R CA -0.296 55.731 56.100 -0.121 0.000 1.003 135 R CB -0.238 30.034 30.300 -0.046 0.000 0.950 135 R HN 0.285 nan 8.270 nan 0.000 0.428 136 V N 2.529 122.294 119.914 -0.247 0.000 2.427 136 V HA 0.338 4.458 4.120 -0.000 0.000 0.286 136 V C 0.557 176.574 176.094 -0.129 0.000 1.034 136 V CA -0.662 61.453 62.300 -0.308 0.000 0.893 136 V CB 1.661 32.988 31.823 -0.826 0.000 0.982 136 V HN 0.851 nan 8.190 nan 0.000 0.452 137 A N 7.401 130.232 122.820 0.017 0.000 3.175 137 A HA 0.716 5.036 4.320 -0.000 0.000 0.289 137 A C -0.261 177.532 177.584 0.349 0.000 1.429 137 A CA -0.229 51.943 52.037 0.225 0.000 1.155 137 A CB -0.614 18.572 19.000 0.309 0.000 1.169 137 A HN 0.921 nan 8.150 nan 0.000 0.574 138 L N -2.495 118.846 121.223 0.197 0.000 2.516 138 L HA 0.845 5.185 4.340 -0.000 0.000 0.267 138 L C -0.482 176.510 176.870 0.203 0.000 0.957 138 L CA -0.639 54.357 54.840 0.260 0.000 0.860 138 L CB 1.946 44.135 42.059 0.216 0.000 1.265 138 L HN 0.156 nan 8.230 nan 0.000 0.403 139 E N 0.449 120.725 120.200 0.127 0.000 2.801 139 E HA 0.217 4.567 4.350 -0.000 0.000 0.212 139 E C -0.976 175.692 176.600 0.114 0.000 0.963 139 E CA 0.047 56.477 56.400 0.050 0.000 1.247 139 E CB 0.771 30.204 29.700 -0.445 0.000 1.076 139 E HN 0.708 nan 8.360 nan 0.000 0.504 140 D N 1.486 121.951 120.400 0.108 0.000 2.434 140 D HA 0.315 4.955 4.640 -0.000 0.000 0.275 140 D C -0.395 175.888 176.300 -0.028 0.000 1.172 140 D CA -0.158 53.877 54.000 0.059 0.000 0.916 140 D CB 0.550 41.399 40.800 0.082 0.000 1.041 140 D HN 0.260 nan 8.370 nan 0.000 0.501 141 I N -2.134 118.344 120.570 -0.153 0.000 2.710 141 I HA 0.270 4.439 4.170 -0.000 0.000 0.290 141 I C -0.219 175.595 176.117 -0.505 0.000 1.318 141 I CA -0.995 60.116 61.300 -0.315 0.000 1.045 141 I CB 2.426 40.207 38.000 -0.365 0.000 1.307 141 I HN -0.209 nan 8.210 nan 0.000 0.424 142 E N 4.140 124.158 120.200 -0.303 0.000 2.529 142 E HA 0.119 4.468 4.350 -0.000 0.000 0.259 142 E C -1.716 174.645 176.600 -0.399 0.000 0.966 142 E CA 0.678 56.948 56.400 -0.218 0.000 0.937 142 E CB 0.474 30.110 29.700 -0.106 0.000 0.923 142 E HN 0.457 nan 8.360 nan 0.000 0.468 143 F N 2.273 122.191 119.950 -0.053 0.000 2.522 143 F HA 0.171 4.698 4.527 -0.000 0.000 0.324 143 F C 0.858 176.571 175.800 -0.144 0.000 1.077 143 F CA -0.636 57.246 58.000 -0.197 0.000 0.944 143 F CB 1.632 40.361 39.000 -0.450 0.000 1.175 143 F HN 0.453 nan 8.300 nan 0.000 0.468 144 D N -1.901 118.520 120.400 0.035 0.000 2.520 144 D HA 0.156 4.796 4.640 -0.000 0.000 0.223 144 D C -0.134 176.220 176.300 0.089 0.000 1.186 144 D CA 0.154 54.211 54.000 0.095 0.000 0.821 144 D CB 0.314 41.149 40.800 0.057 0.000 1.072 144 D HN 0.308 nan 8.370 nan 0.000 0.518 145 T N -0.461 114.045 114.554 -0.080 0.000 2.900 145 T HA 0.567 4.917 4.350 -0.000 0.000 0.295 145 T C -1.360 173.196 174.700 -0.239 0.000 1.044 145 T CA -0.462 61.639 62.100 0.003 0.000 0.995 145 T CB 1.734 70.621 68.868 0.031 0.000 1.072 145 T HN -0.031 nan 8.240 nan 0.000 0.473 146 Y N -0.071 120.286 120.300 0.096 0.000 2.705 146 Y HA 0.667 5.217 4.550 -0.000 0.000 0.332 146 Y C -0.954 175.057 175.900 0.185 0.000 1.157 146 Y CA -1.389 56.750 58.100 0.066 0.000 1.091 146 Y CB 1.592 40.056 38.460 0.007 0.000 1.301 146 Y HN 0.684 nan 8.280 nan 0.000 0.488 147 F N 4.664 124.695 119.950 0.135 0.000 2.436 147 F HA 0.576 5.103 4.527 -0.000 0.000 0.340 147 F C -2.287 173.511 175.800 -0.003 0.000 1.113 147 F CA -2.447 55.561 58.000 0.014 0.000 1.022 147 F CB 1.252 40.180 39.000 -0.120 0.000 1.128 147 F HN 0.165 nan 8.300 nan 0.000 0.466 148 P HA 0.013 nan 4.420 nan 0.000 0.269 148 P C -1.010 175.989 177.300 -0.502 0.000 1.215 148 P CA -0.217 62.606 63.100 -0.461 0.000 0.780 148 P CB 0.566 32.011 31.700 -0.425 0.000 0.898 149 E N 1.481 121.518 120.200 -0.273 0.000 2.467 149 E HA 0.006 4.355 4.350 -0.000 0.000 0.264 149 E C 0.489 176.938 176.600 -0.251 0.000 1.020 149 E CA 0.311 56.590 56.400 -0.201 0.000 0.945 149 E CB 0.006 29.627 29.700 -0.131 0.000 0.942 149 E HN 0.380 nan 8.360 nan 0.000 0.449 150 I N 4.436 124.878 120.570 -0.214 0.000 2.533 150 I HA 0.019 4.189 4.170 -0.000 0.000 0.284 150 I C -1.677 174.371 176.117 -0.114 0.000 1.109 150 I CA -1.773 59.373 61.300 -0.256 0.000 1.412 150 I CB 0.129 37.902 38.000 -0.380 0.000 1.396 150 I HN 0.126 nan 8.210 nan 0.000 0.543 151 P HA -0.090 nan 4.420 nan 0.000 0.255 151 P C 0.499 177.888 177.300 0.148 0.000 1.161 151 P CA 0.314 63.475 63.100 0.102 0.000 0.768 151 P CB 0.387 32.270 31.700 0.306 0.000 0.746 152 E N 1.804 122.042 120.200 0.064 0.000 2.394 152 E HA -0.184 4.166 4.350 -0.000 0.000 0.202 152 E C 1.400 178.034 176.600 0.058 0.000 1.029 152 E CA 1.747 58.181 56.400 0.058 0.000 0.855 152 E CB -0.068 29.647 29.700 0.024 0.000 0.770 152 E HN 0.623 nan 8.360 nan 0.000 0.527 153 T N -2.057 112.519 114.554 0.037 0.000 3.072 153 T HA -0.048 4.301 4.350 -0.000 0.000 0.266 153 T C 0.524 175.139 174.700 -0.142 0.000 1.127 153 T CA 0.111 62.164 62.100 -0.079 0.000 1.107 153 T CB -0.210 68.552 68.868 -0.176 0.000 0.910 153 T HN -0.113 nan 8.240 nan 0.000 0.513 154 F N 1.040 121.007 119.950 0.029 0.000 2.404 154 F HA 0.640 5.167 4.527 -0.000 0.000 0.339 154 F C 0.089 175.999 175.800 0.183 0.000 1.105 154 F CA -1.343 56.710 58.000 0.088 0.000 1.087 154 F CB 1.273 40.288 39.000 0.025 0.000 1.143 154 F HN -0.020 nan 8.300 nan 0.000 0.491 155 L N 5.392 126.861 121.223 0.411 0.000 2.365 155 L HA 0.486 4.826 4.340 -0.000 0.000 0.273 155 L C -2.406 174.657 176.870 0.321 0.000 1.000 155 L CA -2.243 52.800 54.840 0.338 0.000 0.819 155 L CB 2.639 44.784 42.059 0.143 0.000 1.284 155 L HN 0.322 nan 8.230 nan 0.000 0.418 156 P HA 0.028 nan 4.420 nan 0.000 0.276 156 P C 0.285 177.481 177.300 -0.172 0.000 1.235 156 P CA -0.092 62.758 63.100 -0.417 0.000 0.772 156 P CB 1.303 32.685 31.700 -0.531 0.000 0.871 157 V N 0.554 120.386 119.914 -0.137 0.000 3.528 157 V HA 0.398 4.517 4.120 -0.000 0.000 0.294 157 V C -0.242 175.870 176.094 0.030 0.000 1.404 157 V CA -0.027 62.229 62.300 -0.073 0.000 1.065 157 V CB -1.036 30.755 31.823 -0.055 0.000 0.904 157 V HN 0.455 nan 8.190 nan 0.000 0.435 158 Y N 0.306 120.531 120.300 -0.124 0.000 2.424 158 Y HA 0.684 5.234 4.550 -0.000 0.000 0.323 158 Y C -1.275 174.624 175.900 -0.001 0.000 1.174 158 Y CA -1.182 56.903 58.100 -0.025 0.000 1.060 158 Y CB 1.974 40.451 38.460 0.028 0.000 1.314 158 Y HN 0.171 nan 8.280 nan 0.000 0.439 159 M N 6.382 125.558 119.600 -0.706 0.000 2.255 159 M HA 0.469 4.949 4.480 -0.000 0.000 0.275 159 M C -1.371 174.603 176.300 -0.543 0.000 1.050 159 M CA -0.355 54.682 55.300 -0.439 0.000 0.978 159 M CB 1.562 34.089 32.600 -0.122 0.000 1.761 159 M HN 0.790 nan 8.290 nan 0.000 0.479 160 S N 3.509 118.986 115.700 -0.371 0.000 2.713 160 S HA 0.512 4.982 4.470 -0.000 0.000 0.277 160 S C -0.318 174.201 174.600 -0.136 0.000 1.168 160 S CA -0.690 57.430 58.200 -0.135 0.000 0.994 160 S CB 0.979 64.402 63.200 0.372 0.000 1.054 160 S HN 0.804 nan 8.310 nan 0.000 0.555 161 Q N 0.082 119.807 119.800 -0.125 0.000 2.421 161 Q HA 0.289 4.629 4.340 -0.000 0.000 0.255 161 Q C -0.714 175.025 176.000 -0.435 0.000 1.013 161 Q CA -0.368 55.269 55.803 -0.276 0.000 0.895 161 Q CB -0.317 28.365 28.738 -0.094 0.000 1.271 161 Q HN 0.604 nan 8.270 nan 0.000 0.460 162 T N 2.732 117.012 114.554 -0.456 0.000 2.916 162 T HA 0.231 4.581 4.350 -0.000 0.000 0.303 162 T C -0.498 173.858 174.700 -0.573 0.000 1.025 162 T CA -0.036 61.833 62.100 -0.385 0.000 1.142 162 T CB -0.009 68.749 68.868 -0.184 0.000 0.947 162 T HN 0.364 nan 8.240 nan 0.000 0.544 163 F N 0.448 120.069 119.950 -0.550 0.000 2.518 163 F HA 0.610 5.137 4.527 -0.000 0.000 0.338 163 F C 0.568 175.988 175.800 -0.633 0.000 1.065 163 F CA -0.983 56.661 58.000 -0.593 0.000 1.012 163 F CB 1.211 39.827 39.000 -0.640 0.000 1.297 163 F HN 0.515 nan 8.300 nan 0.000 0.489 164 C N 0.792 120.086 119.300 -0.009 0.000 2.431 164 C HA 0.802 5.262 4.460 -0.000 0.000 0.321 164 C C -1.039 174.127 174.990 0.293 0.000 1.202 164 C CA -0.081 59.009 59.018 0.119 0.000 1.398 164 C CB 0.310 28.091 27.740 0.069 0.000 2.047 164 C HN 0.793 nan 8.230 nan 0.000 0.465 165 T N 4.698 119.459 114.554 0.345 0.000 3.011 165 T HA 0.360 4.710 4.350 -0.000 0.000 0.303 165 T C -0.523 174.266 174.700 0.148 0.000 0.997 165 T CA -0.609 61.632 62.100 0.235 0.000 1.007 165 T CB 1.185 70.171 68.868 0.197 0.000 1.017 165 T HN 0.767 nan 8.240 nan 0.000 0.443 166 K N 3.390 123.852 120.400 0.103 0.000 3.213 166 K HA -0.305 4.015 4.320 -0.000 0.000 0.266 166 K C 0.441 177.079 176.600 0.064 0.000 0.911 166 K CA 0.747 57.077 56.287 0.071 0.000 0.684 166 K CB -1.489 31.047 32.500 0.061 0.000 1.402 166 K HN 0.836 nan 8.250 nan 0.000 0.465 167 N N -1.518 117.221 118.700 0.064 0.000 2.878 167 N HA -0.213 4.527 4.740 -0.000 0.000 0.247 167 N C -0.596 174.948 175.510 0.058 0.000 1.021 167 N CA 1.140 54.214 53.050 0.040 0.000 0.873 167 N CB -0.596 37.896 38.487 0.008 0.000 1.128 167 N HN 0.365 nan 8.380 nan 0.000 0.571 168 I N 1.415 122.047 120.570 0.104 0.000 2.330 168 I HA 0.174 4.344 4.170 -0.000 0.000 0.289 168 I C 0.330 176.567 176.117 0.200 0.000 1.001 168 I CA -0.206 61.172 61.300 0.130 0.000 1.193 168 I CB 1.729 39.791 38.000 0.104 0.000 1.345 168 I HN -0.087 nan 8.210 nan 0.000 0.461 169 S N 5.792 121.569 115.700 0.129 0.000 2.565 169 S HA 0.498 4.968 4.470 -0.000 0.000 0.276 169 S C -0.840 173.824 174.600 0.106 0.000 1.326 169 S CA -0.209 58.023 58.200 0.053 0.000 1.045 169 S CB 0.478 63.706 63.200 0.046 0.000 0.918 169 S HN 0.489 nan 8.310 nan 0.000 0.505 170 Y N -0.719 119.542 120.300 -0.066 0.000 2.581 170 Y HA 0.726 5.276 4.550 -0.000 0.000 0.337 170 Y C -1.322 174.453 175.900 -0.208 0.000 1.108 170 Y CA -1.618 56.363 58.100 -0.200 0.000 1.033 170 Y CB 0.594 38.845 38.460 -0.348 0.000 1.318 170 Y HN 0.471 nan 8.280 nan 0.000 0.459 171 D N 1.062 121.336 120.400 -0.210 0.000 2.467 171 D HA 0.605 5.245 4.640 -0.000 0.000 0.245 171 D C -1.626 174.410 176.300 -0.440 0.000 1.038 171 D CA -0.523 53.349 54.000 -0.213 0.000 1.038 171 D CB 1.562 42.295 40.800 -0.111 0.000 1.278 171 D HN 0.381 nan 8.370 nan 0.000 0.564 172 F N 0.243 120.265 119.950 0.120 0.000 2.493 172 F HA 0.461 4.988 4.527 -0.000 0.000 0.329 172 F C -0.041 175.886 175.800 0.212 0.000 1.126 172 F CA -0.945 57.122 58.000 0.113 0.000 0.937 172 F CB 1.242 40.279 39.000 0.061 0.000 1.146 172 F HN 0.006 nan 8.300 nan 0.000 0.442 173 M N 5.258 125.061 119.600 0.338 0.000 2.598 173 M HA 0.683 5.163 4.480 -0.000 0.000 0.317 173 M C -0.816 175.666 176.300 0.303 0.000 1.179 173 M CA -0.926 54.529 55.300 0.257 0.000 0.936 173 M CB 2.959 35.527 32.600 -0.054 0.000 1.713 173 M HN 0.649 nan 8.290 nan 0.000 0.460 174 I N 0.112 120.798 120.570 0.193 0.000 2.448 174 I HA 0.507 4.677 4.170 -0.000 0.000 0.281 174 I C -1.806 174.270 176.117 -0.069 0.000 1.027 174 I CA -0.496 60.803 61.300 -0.001 0.000 1.111 174 I CB 0.855 38.738 38.000 -0.195 0.000 1.236 174 I HN 0.566 nan 8.210 nan 0.000 0.452 175 F N 4.486 124.439 119.950 0.005 0.000 2.418 175 F HA 0.474 5.001 4.527 -0.000 0.000 0.341 175 F C 0.676 176.578 175.800 0.171 0.000 1.120 175 F CA 0.136 58.197 58.000 0.101 0.000 1.232 175 F CB 0.975 40.036 39.000 0.102 0.000 1.175 175 F HN 0.578 nan 8.300 nan 0.000 0.569 176 E N 1.185 121.637 120.200 0.420 0.000 2.288 176 E HA 0.281 4.631 4.350 -0.000 0.000 0.268 176 E C -1.229 175.479 176.600 0.181 0.000 0.885 176 E CA -1.090 55.498 56.400 0.314 0.000 0.767 176 E CB 1.705 31.480 29.700 0.125 0.000 1.220 176 E HN 0.456 nan 8.360 nan 0.000 0.427 177 K N 2.339 122.638 120.400 -0.168 0.000 2.404 177 K HA 0.506 4.826 4.320 -0.000 0.000 0.257 177 K C -0.846 175.602 176.600 -0.254 0.000 1.026 177 K CA -0.148 55.820 56.287 -0.532 0.000 0.951 177 K CB 0.765 32.428 32.500 -1.396 0.000 1.203 177 K HN 0.469 nan 8.250 nan 0.000 0.446 194 K N 0.886 121.268 120.400 -0.030 0.000 2.103 194 K HA -0.103 4.217 4.320 -0.000 0.000 0.204 194 K C 1.924 178.510 176.600 -0.024 0.000 1.052 194 K CA 1.732 58.003 56.287 -0.027 0.000 0.945 194 K CB 0.142 32.628 32.500 -0.023 0.000 0.722 194 K HN 0.791 nan 8.250 nan 0.000 0.443 195 S N 0.868 116.555 115.700 -0.021 0.000 2.407 195 S HA -0.193 4.277 4.470 -0.000 0.000 0.235 195 S C 1.909 176.498 174.600 -0.019 0.000 1.036 195 S CA 1.322 59.511 58.200 -0.018 0.000 1.013 195 S CB -0.542 62.648 63.200 -0.017 0.000 0.820 195 S HN 0.327 nan 8.310 nan 0.000 0.476 196 I N 1.602 122.158 120.570 -0.023 0.000 2.333 196 I HA -0.081 4.089 4.170 -0.000 0.000 0.246 196 I C 2.131 178.233 176.117 -0.026 0.000 1.106 196 I CA 1.308 62.593 61.300 -0.024 0.000 1.411 196 I CB -0.442 37.540 38.000 -0.029 0.000 1.082 196 I HN 0.227 nan 8.210 nan 0.000 0.420 197 D N 0.962 121.344 120.400 -0.030 0.000 2.144 197 D HA -0.151 4.489 4.640 -0.000 0.000 0.200 197 D C 1.668 177.953 176.300 -0.024 0.000 0.978 197 D CA 1.057 55.038 54.000 -0.032 0.000 0.833 197 D CB -0.267 40.509 40.800 -0.039 0.000 0.961 197 D HN 0.248 nan 8.370 nan 0.000 0.470 198 D N 0.209 120.596 120.400 -0.021 0.000 2.095 198 D HA -0.129 4.511 4.640 -0.000 0.000 0.192 198 D C 2.046 178.338 176.300 -0.013 0.000 0.990 198 D CA 1.628 55.618 54.000 -0.016 0.000 0.836 198 D CB -0.837 39.955 40.800 -0.015 0.000 0.979 198 D HN 0.112 nan 8.370 nan 0.000 0.447 199 T N 0.935 115.481 114.554 -0.013 0.000 2.649 199 T HA -0.159 4.191 4.350 -0.000 0.000 0.268 199 T C 2.213 176.908 174.700 -0.009 0.000 1.036 199 T CA 1.426 63.520 62.100 -0.010 0.000 1.157 199 T CB -0.580 68.282 68.868 -0.011 0.000 0.861 199 T HN -0.027 nan 8.240 nan 0.000 0.445 200 V N 1.507 121.415 119.914 -0.011 0.000 2.358 200 V HA -0.154 3.966 4.120 -0.000 0.000 0.246 200 V C 2.351 178.442 176.094 -0.006 0.000 1.047 200 V CA 1.788 64.083 62.300 -0.008 0.000 1.035 200 V CB -0.635 31.180 31.823 -0.012 0.000 0.658 200 V HN 0.379 nan 8.190 nan 0.000 0.452 201 D N -0.065 120.330 120.400 -0.009 0.000 2.097 201 D HA -0.118 4.522 4.640 -0.000 0.000 0.195 201 D C 1.946 178.244 176.300 -0.004 0.000 0.989 201 D CA 0.962 54.958 54.000 -0.006 0.000 0.827 201 D CB -0.212 40.582 40.800 -0.010 0.000 0.966 201 D HN 0.172 nan 8.370 nan 0.000 0.456 202 L N 0.171 121.391 121.223 -0.005 0.000 2.083 202 L HA -0.096 4.244 4.340 -0.000 0.000 0.209 202 L C 2.091 178.960 176.870 -0.001 0.000 1.083 202 L CA 1.028 55.866 54.840 -0.003 0.000 0.752 202 L CB -0.928 41.128 42.059 -0.005 0.000 0.899 202 L HN 0.143 nan 8.230 nan 0.000 0.433 203 L N -0.494 120.729 121.223 -0.001 0.000 2.109 203 L HA 0.019 4.359 4.340 -0.000 0.000 0.207 203 L C 2.507 179.380 176.870 0.004 0.000 1.086 203 L CA 1.714 56.555 54.840 0.002 0.000 0.760 203 L CB -1.794 40.266 42.059 0.002 0.000 0.910 203 L HN 0.286 nan 8.230 nan 0.000 0.437 204 G N -1.104 107.699 108.800 0.005 0.000 2.442 204 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.219 204 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.219 204 G C 1.555 176.459 174.900 0.007 0.000 1.141 204 G CA 0.629 45.734 45.100 0.008 0.000 0.763 204 G HN 0.430 nan 8.290 nan 0.000 0.554 205 E N -0.126 120.077 120.200 0.004 0.000 2.051 205 E HA 0.014 4.364 4.350 -0.000 0.000 0.189 205 E C 2.537 179.139 176.600 0.003 0.000 0.979 205 E CA 0.277 56.679 56.400 0.003 0.000 0.803 205 E CB -0.090 29.611 29.700 0.001 0.000 0.761 205 E HN 0.453 nan 8.360 nan 0.000 0.451 206 I N 1.227 121.798 120.570 0.003 0.000 2.091 206 I HA -0.323 3.847 4.170 -0.000 0.000 0.239 206 I C 2.463 178.583 176.117 0.005 0.000 1.061 206 I CA 1.541 62.843 61.300 0.003 0.000 1.317 206 I CB -0.269 37.732 38.000 0.002 0.000 1.031 206 I HN 0.099 nan 8.210 nan 0.000 0.401 207 A N -0.157 122.667 122.820 0.006 0.000 2.030 207 A HA 0.282 4.602 4.320 -0.000 0.000 0.215 207 A C 1.847 179.437 177.584 0.010 0.000 1.164 207 A CA 0.933 52.974 52.037 0.008 0.000 0.697 207 A CB -0.842 18.165 19.000 0.010 0.000 0.827 207 A HN 0.564 nan 8.150 nan 0.000 0.457 208 G N 0.456 109.262 108.800 0.010 0.000 2.685 208 G HA2 -0.389 3.570 3.960 -0.000 0.000 0.329 208 G HA3 -0.389 3.570 3.960 -0.000 0.000 0.329 208 G C 0.731 175.640 174.900 0.015 0.000 1.271 208 G CA 0.941 46.048 45.100 0.011 0.000 1.003 208 G HN 0.769 nan 8.290 nan 0.000 0.549 209 I N 1.627 122.205 120.570 0.014 0.000 3.334 209 I HA 0.133 4.303 4.170 -0.000 0.000 0.282 209 I C 2.633 178.761 176.117 0.020 0.000 1.313 209 I CA 1.139 62.448 61.300 0.016 0.000 1.396 209 I CB -0.353 37.654 38.000 0.012 0.000 1.054 209 I HN 0.337 nan 8.210 nan 0.000 0.495 210 R N 1.071 121.582 120.500 0.018 0.000 2.066 210 R HA 0.053 4.393 4.340 -0.000 0.000 0.224 210 R C 1.258 177.573 176.300 0.024 0.000 1.122 210 R CA 0.324 56.435 56.100 0.019 0.000 0.974 210 R CB -0.058 30.250 30.300 0.014 0.000 0.871 210 R HN 0.207 nan 8.270 nan 0.000 0.435 211 K N 1.651 122.065 120.400 0.024 0.000 2.451 211 K HA -0.066 4.254 4.320 -0.000 0.000 0.280 211 K C 0.971 177.596 176.600 0.041 0.000 1.020 211 K CA 0.091 56.395 56.287 0.028 0.000 1.008 211 K CB 0.781 33.294 32.500 0.023 0.000 0.917 211 K HN 0.020 nan 8.250 nan 0.000 0.478 212 M N 4.113 123.743 119.600 0.051 0.000 2.236 212 M HA -0.013 4.467 4.480 -0.000 0.000 0.266 212 M C 1.618 177.982 176.300 0.107 0.000 1.070 212 M CA 1.892 57.240 55.300 0.080 0.000 1.137 212 M CB -0.193 32.455 32.600 0.080 0.000 1.378 212 M HN 0.953 nan 8.290 nan 0.000 0.426 213 G N 0.305 109.153 108.800 0.080 0.000 2.516 213 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.221 213 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.221 213 G C 1.019 175.976 174.900 0.095 0.000 1.107 213 G CA 1.408 46.560 45.100 0.087 0.000 0.747 213 G HN 0.495 nan 8.290 nan 0.000 0.567 214 N N -0.371 118.372 118.700 0.072 0.000 2.376 214 N HA 0.070 4.810 4.740 -0.000 0.000 0.177 214 N C 2.197 177.733 175.510 0.044 0.000 1.024 214 N CA 0.166 53.248 53.050 0.053 0.000 0.893 214 N CB -0.057 38.450 38.487 0.034 0.000 0.980 214 N HN 0.210 nan 8.380 nan 0.000 0.439 215 R N -0.577 119.954 120.500 0.051 0.000 2.280 215 R HA 0.053 4.393 4.340 -0.000 0.000 0.207 215 R C -0.011 176.205 176.300 -0.141 0.000 1.043 215 R CA 0.756 56.847 56.100 -0.015 0.000 1.006 215 R CB 0.074 30.386 30.300 0.020 0.000 0.885 215 R HN 0.345 nan 8.270 nan 0.000 0.467 216 H N 0.565 119.661 119.070 0.043 0.000 2.386 216 H HA 0.207 4.763 4.556 -0.000 0.000 0.232 216 H C -0.588 174.774 175.328 0.055 0.000 1.416 216 H CA -0.397 55.679 56.048 0.047 0.000 1.285 216 H CB 0.353 30.145 29.762 0.050 0.000 1.625 216 H HN -0.059 nan 8.280 nan 0.000 0.521 217 K N 1.029 121.488 120.400 0.098 0.000 2.448 217 K HA -0.011 4.309 4.320 -0.000 0.000 0.278 217 K C 0.166 176.840 176.600 0.124 0.000 1.009 217 K CA -0.072 56.275 56.287 0.100 0.000 0.995 217 K CB 0.861 33.391 32.500 0.050 0.000 0.917 217 K HN 0.154 nan 8.250 nan 0.000 0.481 218 F N 4.546 124.485 119.950 -0.017 0.000 2.563 218 F HA 0.078 4.605 4.527 -0.000 0.000 0.363 218 F C -1.859 173.886 175.800 -0.093 0.000 1.123 218 F CA -1.525 56.435 58.000 -0.067 0.000 1.307 218 F CB 0.343 39.275 39.000 -0.114 0.000 1.115 218 F HN 0.423 nan 8.300 nan 0.000 0.592 219 P HA 0.163 nan 4.420 nan 0.000 0.274 219 P C -1.493 175.610 177.300 -0.329 0.000 1.246 219 P CA -0.506 62.347 63.100 -0.411 0.000 0.795 219 P CB 0.590 32.094 31.700 -0.327 0.000 1.006 220 K N 0.760 121.080 120.400 -0.133 0.000 2.205 220 K HA 0.062 4.382 4.320 -0.000 0.000 0.279 220 K C 1.294 177.880 176.600 -0.023 0.000 1.027 220 K CA -0.067 56.189 56.287 -0.052 0.000 0.932 220 K CB 0.184 32.669 32.500 -0.025 0.000 1.032 220 K HN 0.444 nan 8.250 nan 0.000 0.466 221 E N 2.713 122.921 120.200 0.013 0.000 2.236 221 E HA -0.328 4.022 4.350 -0.000 0.000 0.205 221 E C 0.820 177.461 176.600 0.069 0.000 1.028 221 E CA 1.968 58.410 56.400 0.070 0.000 0.827 221 E CB 0.176 29.909 29.700 0.055 0.000 0.735 221 E HN 0.684 nan 8.360 nan 0.000 0.470 222 E N 0.936 121.154 120.200 0.032 0.000 2.511 222 E HA -0.118 4.231 4.350 -0.000 0.000 0.196 222 E C 1.604 178.208 176.600 0.007 0.000 1.066 222 E CA 0.897 57.307 56.400 0.017 0.000 0.871 222 E CB -0.139 29.564 29.700 0.004 0.000 0.863 222 E HN 0.722 nan 8.360 nan 0.000 0.520 223 I N -3.488 117.091 120.570 0.015 0.000 4.160 223 I HA 0.358 4.528 4.170 -0.000 0.000 0.325 223 I C -0.533 175.592 176.117 0.012 0.000 1.455 223 I CA -0.878 60.418 61.300 -0.007 0.000 1.142 223 I CB 0.126 38.106 38.000 -0.033 0.000 1.262 223 I HN -0.146 nan 8.210 nan 0.000 0.483 224 Y N 3.023 123.254 120.300 -0.114 0.000 2.447 224 Y HA 0.447 4.997 4.550 -0.000 0.000 0.325 224 Y C 0.272 176.106 175.900 -0.110 0.000 0.976 224 Y CA -0.760 57.248 58.100 -0.153 0.000 1.280 224 Y CB 0.531 38.872 38.460 -0.197 0.000 1.104 224 Y HN 0.133 nan 8.280 nan 0.000 0.486 225 N N 3.147 121.593 118.700 -0.424 0.000 2.345 225 N HA -0.083 4.657 4.740 -0.000 0.000 0.243 225 N C -0.101 175.279 175.510 -0.216 0.000 1.246 225 N CA 1.690 54.603 53.050 -0.228 0.000 0.863 225 N CB 0.680 39.092 38.487 -0.126 0.000 1.096 225 N HN 0.890 nan 8.380 nan 0.000 0.446 226 T N 2.487 117.005 114.554 -0.060 0.000 3.398 226 T HA -0.092 4.258 4.350 -0.000 0.000 0.408 226 T C -1.844 172.818 174.700 -0.063 0.000 0.769 226 T CA 0.101 62.192 62.100 -0.016 0.000 2.018 226 T CB -0.955 67.956 68.868 0.073 0.000 1.703 226 T HN 0.615 nan 8.240 nan 0.000 0.639 227 P HA -0.151 nan 4.420 nan 0.000 0.218 227 P C 1.646 178.983 177.300 0.063 0.000 1.146 227 P CA 1.439 64.613 63.100 0.124 0.000 0.820 227 P CB -0.117 31.666 31.700 0.138 0.000 0.778 228 S N -0.719 114.985 115.700 0.006 0.000 2.440 228 S HA -0.101 4.369 4.470 -0.000 0.000 0.238 228 S C 1.047 175.589 174.600 -0.097 0.000 1.010 228 S CA 0.739 58.920 58.200 -0.031 0.000 0.972 228 S CB -1.066 62.131 63.200 -0.006 0.000 0.774 228 S HN 0.171 nan 8.310 nan 0.000 0.501 229 I N 2.171 122.676 120.570 -0.108 0.000 2.260 229 I HA 0.256 4.426 4.170 -0.000 0.000 0.297 229 I C 1.441 177.456 176.117 -0.170 0.000 1.143 229 I CA -0.210 60.991 61.300 -0.165 0.000 1.271 229 I CB 0.413 38.298 38.000 -0.192 0.000 1.461 229 I HN 0.095 nan 8.210 nan 0.000 0.530 230 R N 3.988 124.323 120.500 -0.275 0.000 2.084 230 R HA 0.209 4.549 4.340 -0.000 0.000 0.209 230 R C 1.037 177.279 176.300 -0.096 0.000 1.173 230 R CA 0.793 56.730 56.100 -0.272 0.000 1.053 230 R CB 0.203 30.170 30.300 -0.555 0.000 0.948 230 R HN 0.483 nan 8.270 nan 0.000 0.460 231 F N -0.857 119.117 119.950 0.039 0.000 2.645 231 F HA 0.386 4.913 4.527 -0.000 0.000 0.300 231 F C 0.802 176.660 175.800 0.097 0.000 1.115 231 F CA -0.396 57.633 58.000 0.047 0.000 1.355 231 F CB 1.346 40.369 39.000 0.037 0.000 1.026 231 F HN 0.127 nan 8.300 nan 0.000 0.536 232 G N 1.210 110.129 108.800 0.198 0.000 5.338 232 G HA2 0.158 4.118 3.960 -0.000 0.000 0.198 232 G HA3 0.158 4.118 3.960 -0.000 0.000 0.198 232 G C -0.399 174.541 174.900 0.066 0.000 0.708 232 G CA -0.766 44.502 45.100 0.281 0.000 0.626 232 G HN 0.146 nan 8.290 nan 0.000 0.419 233 R N 0.849 121.318 120.500 -0.052 0.000 2.608 233 R HA 0.307 4.647 4.340 -0.000 0.000 0.277 233 R C 0.345 176.653 176.300 0.014 0.000 1.341 233 R CA -0.240 55.770 56.100 -0.150 0.000 1.199 233 R CB 1.133 31.042 30.300 -0.651 0.000 1.156 233 R HN 0.329 nan 8.270 nan 0.000 0.558 234 E N 0.575 120.767 120.200 -0.014 0.000 2.166 234 E HA -0.062 4.288 4.350 -0.000 0.000 0.192 234 E C 0.278 176.678 176.600 -0.333 0.000 0.967 234 E CA 0.108 56.414 56.400 -0.155 0.000 0.840 234 E CB 0.273 29.932 29.700 -0.068 0.000 0.795 234 E HN 0.433 nan 8.360 nan 0.000 0.470 235 H N 0.696 119.604 119.070 -0.270 0.000 3.217 235 H HA -0.116 4.440 4.556 -0.000 0.000 0.272 235 H C 0.088 175.186 175.328 -0.384 0.000 0.929 235 H CA 0.553 56.372 56.048 -0.382 0.000 1.425 235 H CB -0.149 29.267 29.762 -0.576 0.000 1.505 235 H HN 0.187 nan 8.280 nan 0.000 0.542 236 Y N 2.906 123.375 120.300 0.281 0.000 2.446 236 Y HA -0.244 4.306 4.550 -0.000 0.000 0.287 236 Y C 2.473 178.586 175.900 0.355 0.000 1.159 236 Y CA 1.459 59.724 58.100 0.275 0.000 1.297 236 Y CB -0.020 38.624 38.460 0.306 0.000 0.974 236 Y HN 0.674 nan 8.280 nan 0.000 0.557 237 E N -0.332 120.083 120.200 0.358 0.000 2.265 237 E HA -0.192 4.158 4.350 -0.000 0.000 0.196 237 E C 1.251 177.807 176.600 -0.072 0.000 0.996 237 E CA 0.684 57.087 56.400 0.004 0.000 0.832 237 E CB -0.215 29.061 29.700 -0.707 0.000 0.756 237 E HN 0.407 nan 8.360 nan 0.000 0.491 238 F N 1.054 120.914 119.950 -0.151 0.000 2.494 238 F HA -0.104 4.423 4.527 -0.000 0.000 0.298 238 F C 2.204 177.928 175.800 -0.125 0.000 1.106 238 F CA 0.830 58.718 58.000 -0.187 0.000 1.452 238 F CB -0.112 38.749 39.000 -0.232 0.000 1.085 238 F HN 0.094 nan 8.300 nan 0.000 0.569 239 Q N -1.841 118.011 119.800 0.087 0.000 2.331 239 Q HA -0.153 4.186 4.340 -0.000 0.000 0.203 239 Q C 1.894 177.933 176.000 0.065 0.000 0.944 239 Q CA 0.813 56.596 55.803 -0.033 0.000 0.892 239 Q CB -0.388 28.176 28.738 -0.289 0.000 0.983 239 Q HN 0.598 nan 8.270 nan 0.000 0.482 240 Y N 0.372 120.725 120.300 0.088 0.000 2.475 240 Y HA 0.012 4.562 4.550 -0.000 0.000 0.289 240 Y C 1.592 177.525 175.900 0.056 0.000 1.121 240 Y CA 0.512 58.695 58.100 0.138 0.000 1.257 240 Y CB 0.275 38.880 38.460 0.242 0.000 1.026 240 Y HN -0.046 nan 8.280 nan 0.000 0.555 241 L N -0.706 120.441 121.223 -0.126 0.000 2.316 241 L HA 0.023 4.363 4.340 -0.000 0.000 0.207 241 L C 1.490 178.236 176.870 -0.207 0.000 1.070 241 L CA 0.523 55.216 54.840 -0.245 0.000 0.820 241 L CB -0.235 41.770 42.059 -0.091 0.000 0.992 241 L HN -0.039 nan 8.230 nan 0.000 0.466 242 D N 0.288 120.611 120.400 -0.129 0.000 2.264 242 D HA -0.139 4.500 4.640 -0.000 0.000 0.208 242 D C 1.956 178.208 176.300 -0.080 0.000 0.966 242 D CA 0.841 54.772 54.000 -0.115 0.000 0.864 242 D CB 0.083 40.840 40.800 -0.071 0.000 0.933 242 D HN 0.120 nan 8.370 nan 0.000 0.499 243 L N -0.075 121.093 121.223 -0.092 0.000 2.095 243 L HA 0.042 4.381 4.340 -0.000 0.000 0.204 243 L C 1.825 178.628 176.870 -0.111 0.000 1.080 243 L CA 1.190 55.989 54.840 -0.068 0.000 0.759 243 L CB -0.602 41.432 42.059 -0.041 0.000 0.914 243 L HN -0.036 nan 8.230 nan 0.000 0.439 244 L N -0.283 120.808 121.223 -0.221 0.000 2.083 244 L HA -0.153 4.187 4.340 -0.000 0.000 0.209 244 L C 2.736 179.519 176.870 -0.146 0.000 1.083 244 L CA 2.062 56.761 54.840 -0.236 0.000 0.752 244 L CB -0.754 41.052 42.059 -0.422 0.000 0.899 244 L HN 0.636 nan 8.230 nan 0.000 0.433 245 S N -1.372 114.244 115.700 -0.139 0.000 2.371 245 S HA -0.208 4.262 4.470 -0.000 0.000 0.224 245 S C 2.218 176.772 174.600 -0.077 0.000 1.029 245 S CA 0.790 58.931 58.200 -0.098 0.000 0.978 245 S CB -0.565 62.585 63.200 -0.083 0.000 0.833 245 S HN 0.411 nan 8.310 nan 0.000 0.466 246 R N 0.963 121.423 120.500 -0.067 0.000 2.152 246 R HA -0.034 4.306 4.340 -0.000 0.000 0.232 246 R C 2.314 178.599 176.300 -0.025 0.000 1.117 246 R CA 1.391 57.465 56.100 -0.043 0.000 0.981 246 R CB -0.502 29.797 30.300 -0.000 0.000 0.870 246 R HN 0.593 nan 8.270 nan 0.000 0.451 247 V N -2.427 117.472 119.914 -0.024 0.000 2.788 247 V HA -0.037 4.083 4.120 -0.000 0.000 0.251 247 V C 1.695 177.785 176.094 -0.005 0.000 1.068 247 V CA 0.870 63.174 62.300 0.006 0.000 1.090 247 V CB -0.235 31.608 31.823 0.032 0.000 0.710 247 V HN 0.074 nan 8.190 nan 0.000 0.467 248 L N 0.802 121.998 121.223 -0.046 0.000 2.109 248 L HA 0.044 4.384 4.340 -0.000 0.000 0.207 248 L C 2.612 179.429 176.870 -0.087 0.000 1.086 248 L CA 2.159 56.946 54.840 -0.089 0.000 0.760 248 L CB -1.296 40.706 42.059 -0.094 0.000 0.910 248 L HN 0.519 nan 8.230 nan 0.000 0.437 249 E N 0.328 120.486 120.200 -0.069 0.000 2.072 249 E HA -0.148 4.202 4.350 -0.000 0.000 0.190 249 E C 1.360 177.934 176.600 -0.043 0.000 0.982 249 E CA 1.478 57.840 56.400 -0.063 0.000 0.803 249 E CB -0.032 29.622 29.700 -0.077 0.000 0.755 249 E HN 0.528 nan 8.360 nan 0.000 0.453 250 N N -1.001 117.678 118.700 -0.034 0.000 2.187 250 N HA 0.231 4.971 4.740 -0.000 0.000 0.212 250 N C -0.420 175.093 175.510 0.004 0.000 1.152 250 N CA 0.352 53.380 53.050 -0.037 0.000 0.872 250 N CB 1.535 39.961 38.487 -0.101 0.000 1.025 250 N HN 0.070 nan 8.380 nan 0.000 0.514 251 G N 0.552 109.388 108.800 0.060 0.000 2.457 251 G HA2 0.538 4.498 3.960 -0.000 0.000 0.316 251 G HA3 0.538 4.498 3.960 -0.000 0.000 0.316 251 G C 0.182 175.221 174.900 0.231 0.000 1.030 251 G CA -0.493 44.690 45.100 0.139 0.000 1.073 251 G HN 0.276 nan 8.290 nan 0.000 0.430 252 A N 3.050 125.952 122.820 0.137 0.000 2.587 252 A HA 0.264 4.583 4.320 -0.000 0.000 0.235 252 A C 0.027 177.680 177.584 0.115 0.000 1.044 252 A CA -0.018 52.098 52.037 0.132 0.000 0.754 252 A CB 0.043 19.077 19.000 0.057 0.000 0.968 252 A HN 0.775 nan 8.150 nan 0.000 0.509 253 Y N 2.395 122.670 120.300 -0.042 0.000 2.314 253 Y HA 0.501 5.051 4.550 -0.000 0.000 0.334 253 Y C 0.938 176.718 175.900 -0.199 0.000 1.266 253 Y CA 0.645 58.587 58.100 -0.263 0.000 1.391 253 Y CB 0.596 38.933 38.460 -0.204 0.000 1.306 253 Y HN 0.856 nan 8.280 nan 0.000 0.558 254 R N 2.586 122.629 120.500 -0.763 0.000 3.197 254 R HA 0.209 4.549 4.340 -0.000 0.000 0.261 254 R C -1.771 174.180 176.300 -0.581 0.000 1.015 254 R CA -1.129 54.678 56.100 -0.488 0.000 0.949 254 R CB 0.630 30.762 30.300 -0.281 0.000 1.256 254 R HN 0.557 nan 8.270 nan 0.000 0.514 255 E N 3.149 123.138 120.200 -0.353 0.000 2.280 255 E HA 0.460 4.810 4.350 -0.000 0.000 0.261 255 E C -0.924 175.567 176.600 -0.182 0.000 1.088 255 E CA -0.432 55.816 56.400 -0.253 0.000 0.915 255 E CB 1.212 30.824 29.700 -0.147 0.000 1.141 255 E HN 0.771 nan 8.360 nan 0.000 0.433 256 N N -0.411 118.216 118.700 -0.122 0.000 3.449 256 N HA 0.118 4.858 4.740 -0.000 0.000 0.312 256 N C 0.783 176.277 175.510 -0.027 0.000 1.557 256 N CA -0.727 52.274 53.050 -0.081 0.000 0.864 256 N CB 0.692 39.118 38.487 -0.102 0.000 1.799 256 N HN 0.432 nan 8.380 nan 0.000 0.554 257 R N -0.166 120.335 120.500 0.001 0.000 2.139 257 R HA -0.076 4.264 4.340 -0.000 0.000 0.243 257 R C 1.244 177.564 176.300 0.034 0.000 1.145 257 R CA 1.765 57.882 56.100 0.029 0.000 0.976 257 R CB -0.988 29.347 30.300 0.058 0.000 0.866 257 R HN 0.749 nan 8.270 nan 0.000 0.449 258 T N -2.608 111.965 114.554 0.032 0.000 2.881 258 T HA 0.347 4.697 4.350 -0.000 0.000 0.278 258 T C 1.277 175.976 174.700 -0.001 0.000 0.982 258 T CA -0.403 61.704 62.100 0.012 0.000 0.989 258 T CB 1.825 70.684 68.868 -0.015 0.000 1.058 258 T HN 0.175 nan 8.240 nan 0.000 0.529 259 G N 0.484 109.276 108.800 -0.014 0.000 2.882 259 G HA2 0.272 4.232 3.960 -0.000 0.000 0.206 259 G HA3 0.272 4.232 3.960 -0.000 0.000 0.206 259 G C 0.110 175.000 174.900 -0.017 0.000 1.155 259 G CA -0.061 45.030 45.100 -0.014 0.000 0.800 259 G HN 0.623 nan 8.290 nan 0.000 0.524 260 I N 0.396 120.957 120.570 -0.015 0.000 2.404 260 I HA 0.358 4.528 4.170 -0.000 0.000 0.293 260 I C 0.396 176.521 176.117 0.013 0.000 0.992 260 I CA -0.302 61.002 61.300 0.005 0.000 1.149 260 I CB 2.016 40.004 38.000 -0.019 0.000 1.315 260 I HN -0.193 nan 8.210 nan 0.000 0.446 261 S N 2.505 118.147 115.700 -0.096 0.000 2.686 261 S HA 0.776 5.246 4.470 -0.000 0.000 0.270 261 S C 0.004 174.399 174.600 -0.340 0.000 1.194 261 S CA -0.463 57.532 58.200 -0.343 0.000 0.990 261 S CB 1.149 63.901 63.200 -0.747 0.000 1.029 261 S HN 0.795 nan 8.310 nan 0.000 0.560 262 T N -0.780 113.425 114.554 -0.582 0.000 2.883 262 T HA 0.579 4.929 4.350 -0.000 0.000 0.301 262 T C -1.855 172.517 174.700 -0.546 0.000 1.158 262 T CA -0.623 61.207 62.100 -0.450 0.000 1.007 262 T CB 0.602 69.196 68.868 -0.456 0.000 1.186 262 T HN 0.370 nan 8.240 nan 0.000 0.499 263 Y N 1.437 121.715 120.300 -0.037 0.000 2.595 263 Y HA 0.598 5.148 4.550 -0.000 0.000 0.336 263 Y C 0.940 176.853 175.900 0.020 0.000 0.996 263 Y CA -0.578 57.537 58.100 0.025 0.000 1.260 263 Y CB 1.167 39.670 38.460 0.072 0.000 1.108 263 Y HN 0.805 nan 8.280 nan 0.000 0.509 264 S N 5.384 121.133 115.700 0.082 0.000 2.525 264 S HA 0.832 5.302 4.470 -0.000 0.000 0.290 264 S C -0.511 174.151 174.600 0.102 0.000 1.152 264 S CA -0.530 57.722 58.200 0.087 0.000 1.072 264 S CB 0.337 63.535 63.200 -0.004 0.000 1.027 264 S HN 0.645 nan 8.310 nan 0.000 0.500 265 I N 0.946 121.594 120.570 0.130 0.000 3.145 265 I HA 0.827 4.997 4.170 -0.000 0.000 0.313 265 I C -1.871 174.392 176.117 0.243 0.000 1.122 265 I CA -1.278 60.107 61.300 0.142 0.000 0.987 265 I CB 2.081 40.133 38.000 0.087 0.000 1.236 265 I HN 0.612 nan 8.210 nan 0.000 0.453 266 F N 2.419 122.411 119.950 0.069 0.000 2.536 266 F HA 0.732 5.259 4.527 -0.000 0.000 0.322 266 F C 0.259 176.129 175.800 0.117 0.000 1.144 266 F CA -0.053 57.997 58.000 0.083 0.000 0.924 266 F CB 1.659 40.698 39.000 0.066 0.000 1.181 266 F HN 0.954 nan 8.300 nan 0.000 0.438 267 G N 5.071 113.606 108.800 -0.441 0.000 2.799 267 G HA2 -0.027 3.933 3.960 -0.000 0.000 0.271 267 G HA3 -0.027 3.933 3.960 -0.000 0.000 0.271 267 G C -1.253 173.609 174.900 -0.064 0.000 1.067 267 G CA -0.623 44.280 45.100 -0.328 0.000 1.251 267 G HN 0.662 nan 8.290 nan 0.000 0.560 268 Q N -0.063 119.719 119.800 -0.031 0.000 2.423 268 Q HA 0.791 5.131 4.340 -0.000 0.000 0.278 268 Q C 0.224 176.252 176.000 0.047 0.000 1.097 268 Q CA -0.705 55.112 55.803 0.023 0.000 0.809 268 Q CB 2.254 31.010 28.738 0.030 0.000 1.391 268 Q HN 1.127 nan 8.270 nan 0.000 0.428 269 M N 0.109 119.739 119.600 0.049 0.000 2.267 269 M HA 0.637 5.117 4.480 -0.000 0.000 0.289 269 M C -1.380 174.880 176.300 -0.066 0.000 1.043 269 M CA -0.455 54.855 55.300 0.016 0.000 0.928 269 M CB 1.856 34.553 32.600 0.162 0.000 1.613 269 M HN 0.414 nan 8.290 nan 0.000 0.450 270 M N 3.124 122.648 119.600 -0.128 0.000 2.318 270 M HA 0.622 5.102 4.480 -0.000 0.000 0.347 270 M C -0.047 176.064 176.300 -0.315 0.000 1.175 270 M CA -0.665 54.509 55.300 -0.211 0.000 1.075 270 M CB 1.438 33.940 32.600 -0.164 0.000 1.614 270 M HN 0.654 nan 8.290 nan 0.000 0.456 271 R N 1.248 121.536 120.500 -0.354 0.000 2.691 271 R HA 0.776 5.116 4.340 -0.000 0.000 0.259 271 R C -1.475 174.455 176.300 -0.617 0.000 1.048 271 R CA -0.410 55.503 56.100 -0.312 0.000 1.086 271 R CB 1.398 31.636 30.300 -0.103 0.000 1.166 271 R HN 0.594 nan 8.270 nan 0.000 0.526 272 F N -0.685 119.145 119.950 -0.200 0.000 2.622 272 F HA 0.112 4.638 4.527 -0.000 0.000 0.318 272 F C 0.057 175.540 175.800 -0.528 0.000 1.135 272 F CA -0.910 56.893 58.000 -0.329 0.000 1.015 272 F CB 1.496 40.352 39.000 -0.241 0.000 1.275 272 F HN 0.362 nan 8.300 nan 0.000 0.457 273 D N 3.145 123.184 120.400 -0.601 0.000 2.341 273 D HA 0.283 4.923 4.640 -0.000 0.000 0.245 273 D C 0.032 176.188 176.300 -0.239 0.000 1.106 273 D CA -0.005 53.744 54.000 -0.419 0.000 0.905 273 D CB 1.352 41.859 40.800 -0.489 0.000 1.202 273 D HN 0.714 nan 8.370 nan 0.000 0.426 274 M N 2.368 121.874 119.600 -0.157 0.000 2.279 274 M HA 0.118 4.598 4.480 -0.000 0.000 0.306 274 M C 1.805 178.074 176.300 -0.051 0.000 0.965 274 M CA -0.317 54.920 55.300 -0.104 0.000 1.038 274 M CB 0.823 33.390 32.600 -0.054 0.000 1.636 274 M HN 0.263 nan 8.290 nan 0.000 0.574 275 R N 0.662 121.131 120.500 -0.051 0.000 2.148 275 R HA -0.030 4.310 4.340 -0.000 0.000 0.227 275 R C 0.880 177.172 176.300 -0.013 0.000 1.103 275 R CA 0.934 57.027 56.100 -0.011 0.000 0.983 275 R CB 0.053 30.355 30.300 0.003 0.000 0.874 275 R HN 0.329 nan 8.270 nan 0.000 0.451 276 E N -0.097 120.067 120.200 -0.060 0.000 2.572 276 E HA 0.096 4.446 4.350 -0.000 0.000 0.220 276 E C 0.173 176.726 176.600 -0.079 0.000 0.945 276 E CA 0.211 56.571 56.400 -0.066 0.000 1.070 276 E CB 1.201 30.805 29.700 -0.159 0.000 1.090 276 E HN 0.218 nan 8.360 nan 0.000 0.506 277 S N -0.747 114.905 115.700 -0.080 0.000 2.688 277 S HA 0.404 4.874 4.470 -0.000 0.000 0.266 277 S C -1.526 173.008 174.600 -0.110 0.000 1.061 277 S CA -0.990 57.173 58.200 -0.061 0.000 0.844 277 S CB 0.799 63.986 63.200 -0.020 0.000 1.103 277 S HN 0.003 nan 8.310 nan 0.000 0.471 278 F N 2.738 122.494 119.950 -0.325 0.000 2.450 278 F HA 0.765 5.292 4.527 -0.000 0.000 0.332 278 F C -2.282 173.007 175.800 -0.851 0.000 1.093 278 F CA -2.295 55.432 58.000 -0.455 0.000 1.003 278 F CB 2.429 41.213 39.000 -0.359 0.000 1.151 278 F HN 0.419 nan 8.300 nan 0.000 0.474 279 P HA 0.099 nan 4.420 nan 0.000 0.218 279 P C -0.646 175.866 177.300 -1.314 0.000 1.826 279 P CA 0.023 61.998 63.100 -1.875 0.000 0.946 279 P CB 0.169 30.982 31.700 -1.478 0.000 1.728 280 L N 0.930 121.625 121.223 -0.880 0.000 2.331 280 L HA 0.180 4.520 4.340 -0.000 0.000 0.278 280 L C 0.231 177.167 176.870 0.111 0.000 1.106 280 L CA -0.434 54.195 54.840 -0.352 0.000 0.824 280 L CB 0.177 42.052 42.059 -0.307 0.000 1.142 280 L HN 0.016 nan 8.230 nan 0.000 0.443 281 L N 3.991 125.280 121.223 0.110 0.000 2.461 281 L HA 0.163 4.503 4.340 -0.000 0.000 0.272 281 L C 1.527 178.628 176.870 0.386 0.000 1.197 281 L CA 0.369 55.364 54.840 0.259 0.000 0.836 281 L CB 0.721 42.809 42.059 0.048 0.000 1.105 281 L HN 0.873 nan 8.230 nan 0.000 0.477 282 T N -4.071 110.644 114.554 0.268 0.000 3.033 282 T HA -0.105 4.245 4.350 -0.000 0.000 0.248 282 T C 1.653 176.438 174.700 0.141 0.000 1.040 282 T CA 0.629 62.874 62.100 0.242 0.000 1.133 282 T CB -0.312 68.657 68.868 0.169 0.000 0.895 282 T HN 0.753 nan 8.240 nan 0.000 0.465 283 T N -0.695 113.835 114.554 -0.040 0.000 3.052 283 T HA 0.055 4.405 4.350 -0.000 0.000 0.270 283 T C 0.493 175.133 174.700 -0.099 0.000 1.147 283 T CA 0.601 62.535 62.100 -0.275 0.000 1.089 283 T CB -0.443 68.263 68.868 -0.269 0.000 0.875 283 T HN 0.642 nan 8.240 nan 0.000 0.541 284 K N 0.211 120.646 120.400 0.059 0.000 2.527 284 K HA 0.391 4.711 4.320 -0.000 0.000 0.260 284 K C -1.373 175.318 176.600 0.150 0.000 0.937 284 K CA -0.908 55.436 56.287 0.095 0.000 0.826 284 K CB 1.715 34.264 32.500 0.083 0.000 1.359 284 K HN -0.032 nan 8.250 nan 0.000 0.434 285 K N 3.824 124.300 120.400 0.127 0.000 2.150 285 K HA 0.164 4.484 4.320 -0.000 0.000 0.261 285 K C -0.841 175.857 176.600 0.163 0.000 1.127 285 K CA -0.511 55.861 56.287 0.142 0.000 0.989 285 K CB 0.188 32.734 32.500 0.078 0.000 1.475 285 K HN 0.344 nan 8.250 nan 0.000 0.391 286 V N 2.928 122.969 119.914 0.211 0.000 2.572 286 V HA 0.105 4.225 4.120 -0.000 0.000 0.291 286 V C 0.850 176.941 176.094 -0.006 0.000 1.039 286 V CA -0.621 61.715 62.300 0.060 0.000 1.055 286 V CB 0.960 32.760 31.823 -0.038 0.000 0.969 286 V HN 0.757 nan 8.190 nan 0.000 0.482 287 A N 4.710 127.467 122.820 -0.104 0.000 3.030 287 A HA 0.180 4.500 4.320 -0.000 0.000 0.273 287 A C 1.344 178.744 177.584 -0.306 0.000 1.841 287 A CA -0.157 51.784 52.037 -0.160 0.000 1.479 287 A CB -0.913 18.019 19.000 -0.113 0.000 1.048 287 A HN 0.914 nan 8.150 nan 0.000 0.612 288 I N 0.968 121.415 120.570 -0.205 0.000 2.236 288 I HA -0.272 3.898 4.170 -0.000 0.000 0.249 288 I C 2.233 178.162 176.117 -0.313 0.000 1.102 288 I CA 1.823 63.009 61.300 -0.189 0.000 1.365 288 I CB -0.129 37.844 38.000 -0.045 0.000 1.051 288 I HN 0.659 nan 8.210 nan 0.000 0.420 289 R N -0.455 119.734 120.500 -0.518 0.000 2.090 289 R HA -0.068 4.272 4.340 -0.000 0.000 0.228 289 R C 2.192 178.127 176.300 -0.608 0.000 1.110 289 R CA 1.486 56.962 56.100 -1.041 0.000 0.973 289 R CB -0.124 29.552 30.300 -1.041 0.000 0.869 289 R HN 0.383 nan 8.270 nan 0.000 0.440 290 S N 0.364 115.826 115.700 -0.397 0.000 2.489 290 S HA 0.024 4.494 4.470 -0.000 0.000 0.228 290 S C 1.731 176.181 174.600 -0.249 0.000 0.995 290 S CA 0.508 58.543 58.200 -0.275 0.000 0.934 290 S CB 0.055 63.173 63.200 -0.135 0.000 0.771 290 S HN 0.271 nan 8.310 nan 0.000 0.522 291 I N 0.319 120.689 120.570 -0.333 0.000 2.277 291 I HA -0.082 4.088 4.170 -0.000 0.000 0.243 291 I C 2.111 178.117 176.117 -0.186 0.000 1.094 291 I CA 1.103 62.233 61.300 -0.284 0.000 1.393 291 I CB -0.288 37.487 38.000 -0.374 0.000 1.078 291 I HN 0.283 nan 8.210 nan 0.000 0.417 292 F N 2.080 121.877 119.950 -0.255 0.000 2.234 292 F HA -0.178 4.349 4.527 -0.000 0.000 0.299 292 F C 2.262 177.968 175.800 -0.157 0.000 1.087 292 F CA 1.464 59.374 58.000 -0.150 0.000 1.340 292 F CB -0.076 38.909 39.000 -0.025 0.000 1.031 292 F HN -0.060 nan 8.300 nan 0.000 0.500 293 E N 0.698 120.677 120.200 -0.369 0.000 2.208 293 E HA -0.173 4.176 4.350 -0.000 0.000 0.193 293 E C 2.113 178.443 176.600 -0.449 0.000 0.988 293 E CA 1.151 57.298 56.400 -0.421 0.000 0.828 293 E CB -0.358 29.174 29.700 -0.280 0.000 0.763 293 E HN 0.648 nan 8.360 nan 0.000 0.478 294 E N -0.215 119.728 120.200 -0.427 0.000 2.112 294 E HA -0.085 4.265 4.350 -0.000 0.000 0.190 294 E C 2.025 178.198 176.600 -0.711 0.000 0.979 294 E CA 0.393 56.496 56.400 -0.495 0.000 0.814 294 E CB -0.055 29.451 29.700 -0.323 0.000 0.762 294 E HN 0.326 nan 8.360 nan 0.000 0.460 295 L N 0.782 121.663 121.223 -0.570 0.000 2.275 295 L HA -0.062 4.278 4.340 -0.000 0.000 0.215 295 L C 2.101 178.771 176.870 -0.334 0.000 1.119 295 L CA 0.704 55.281 54.840 -0.438 0.000 0.790 295 L CB 0.106 42.018 42.059 -0.244 0.000 0.919 295 L HN 0.197 nan 8.230 nan 0.000 0.443 296 I N -2.884 117.443 120.570 -0.405 0.000 4.323 296 I HA -0.018 4.152 4.170 -0.000 0.000 0.328 296 I C 1.673 177.742 176.117 -0.080 0.000 1.310 296 I CA 0.017 61.169 61.300 -0.247 0.000 1.186 296 I CB 0.054 37.801 38.000 -0.421 0.000 1.130 296 I HN 0.212 nan 8.210 nan 0.000 0.411 297 W N 0.982 122.082 121.300 -0.332 0.000 2.275 297 W HA -0.331 4.329 4.660 0.000 0.000 0.321 297 W C 1.931 178.364 176.519 -0.144 0.000 1.269 297 W CA 2.162 59.357 57.345 -0.249 0.000 1.274 297 W CB -0.611 28.601 29.460 -0.414 0.000 1.141 297 W HN 0.199 nan 8.180 nan 0.000 0.493 298 F N -0.689 119.128 119.950 -0.223 0.000 2.187 298 F HA -0.068 4.459 4.527 -0.000 0.000 0.295 298 F C 2.361 177.900 175.800 -0.436 0.000 1.091 298 F CA 0.966 58.619 58.000 -0.578 0.000 1.308 298 F CB -1.449 37.021 39.000 -0.883 0.000 1.030 298 F HN -0.188 nan 8.300 nan 0.000 0.487 299 I N -0.108 120.453 120.570 -0.014 0.000 2.286 299 I HA -0.308 3.862 4.170 -0.000 0.000 0.248 299 I C 2.254 178.410 176.117 0.065 0.000 1.115 299 I CA 1.314 62.680 61.300 0.109 0.000 1.392 299 I CB -0.464 37.614 38.000 0.131 0.000 1.065 299 I HN 0.077 nan 8.210 nan 0.000 0.418 300 K N 0.678 121.091 120.400 0.022 0.000 2.283 300 K HA -0.050 4.270 4.320 -0.000 0.000 0.202 300 K C 1.243 177.845 176.600 0.004 0.000 1.048 300 K CA 0.929 57.235 56.287 0.030 0.000 0.948 300 K CB -0.150 32.382 32.500 0.055 0.000 0.742 300 K HN 0.529 nan 8.250 nan 0.000 0.458 301 G N 2.510 111.268 108.800 -0.071 0.000 2.171 301 G HA2 -0.199 3.760 3.960 -0.000 0.000 0.238 301 G HA3 -0.199 3.760 3.960 -0.000 0.000 0.238 301 G C -0.498 174.334 174.900 -0.114 0.000 1.039 301 G CA 0.010 45.059 45.100 -0.085 0.000 0.759 301 G HN 0.293 nan 8.290 nan 0.000 0.501 302 D N 0.172 120.370 120.400 -0.337 0.000 2.256 302 D HA 0.539 5.179 4.640 -0.000 0.000 0.250 302 D C 1.678 177.509 176.300 -0.783 0.000 1.093 302 D CA 0.688 54.432 54.000 -0.427 0.000 0.882 302 D CB 1.095 41.669 40.800 -0.375 0.000 1.185 302 D HN 0.309 nan 8.370 nan 0.000 0.437 303 T N -0.342 113.993 114.554 -0.365 0.000 3.043 303 T HA 0.114 4.463 4.350 -0.000 0.000 0.272 303 T C 0.610 175.278 174.700 -0.054 0.000 0.990 303 T CA -0.524 61.382 62.100 -0.323 0.000 0.897 303 T CB -0.334 68.440 68.868 -0.156 0.000 1.111 303 T HN 0.366 nan 8.240 nan 0.000 0.529 304 N N 0.929 119.616 118.700 -0.021 0.000 2.402 304 N HA 0.304 5.044 4.740 -0.000 0.000 0.252 304 N C 1.469 177.109 175.510 0.218 0.000 1.118 304 N CA -0.178 52.834 53.050 -0.065 0.000 0.945 304 N CB 0.516 38.682 38.487 -0.536 0.000 1.147 304 N HN 0.344 nan 8.380 nan 0.000 0.495 305 G N 3.405 112.327 108.800 0.202 0.000 2.484 305 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.218 305 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.218 305 G C 1.140 176.076 174.900 0.060 0.000 1.130 305 G CA 0.405 45.601 45.100 0.160 0.000 0.784 305 G HN 0.687 nan 8.290 nan 0.000 0.543 306 N N -0.150 118.598 118.700 0.080 0.000 2.223 306 N HA -0.098 4.642 4.740 -0.000 0.000 0.185 306 N C 1.782 177.382 175.510 0.151 0.000 1.016 306 N CA 0.597 53.710 53.050 0.105 0.000 0.863 306 N CB -0.297 38.271 38.487 0.135 0.000 0.983 306 N HN 0.480 nan 8.380 nan 0.000 0.429 307 H N 0.367 119.458 119.070 0.035 0.000 2.421 307 H HA -0.042 4.514 4.556 -0.000 0.000 0.298 307 H C 2.038 177.267 175.328 -0.165 0.000 1.087 307 H CA 0.354 56.409 56.048 0.011 0.000 1.330 307 H CB 0.261 30.126 29.762 0.173 0.000 1.388 307 H HN 0.151 nan 8.280 nan 0.000 0.526 308 L N 0.676 121.770 121.223 -0.215 0.000 2.005 308 L HA -0.171 4.169 4.340 -0.000 0.000 0.207 308 L C 2.455 179.117 176.870 -0.347 0.000 1.072 308 L CA 1.349 55.916 54.840 -0.454 0.000 0.744 308 L CB -0.728 40.906 42.059 -0.708 0.000 0.895 308 L HN 0.321 nan 8.230 nan 0.000 0.433 309 I N 0.098 120.516 120.570 -0.253 0.000 2.194 309 I HA -0.362 3.808 4.170 -0.000 0.000 0.246 309 I C 2.401 178.363 176.117 -0.259 0.000 1.093 309 I CA 1.389 62.514 61.300 -0.292 0.000 1.355 309 I CB -0.114 37.869 38.000 -0.029 0.000 1.046 309 I HN 0.316 nan 8.210 nan 0.000 0.413 310 E N 0.800 120.927 120.200 -0.122 0.000 2.038 310 E HA -0.250 4.100 4.350 -0.000 0.000 0.195 310 E C 1.871 178.397 176.600 -0.123 0.000 1.000 310 E CA 1.313 57.665 56.400 -0.081 0.000 0.803 310 E CB -0.104 29.578 29.700 -0.031 0.000 0.750 310 E HN 0.368 nan 8.360 nan 0.000 0.448 311 K N 0.854 121.158 120.400 -0.161 0.000 2.633 311 K HA -0.045 4.275 4.320 -0.000 0.000 0.193 311 K C -0.259 176.190 176.600 -0.251 0.000 1.033 311 K CA 0.374 56.556 56.287 -0.174 0.000 0.980 311 K CB -0.072 32.319 32.500 -0.181 0.000 0.800 311 K HN 0.030 nan 8.250 nan 0.000 0.493 312 K N 0.029 120.216 120.400 -0.356 0.000 3.148 312 K HA -0.172 4.148 4.320 -0.000 0.000 0.267 312 K C -1.100 175.136 176.600 -0.607 0.000 0.996 312 K CA 0.383 56.344 56.287 -0.543 0.000 0.737 312 K CB -1.874 30.526 32.500 -0.167 0.000 1.308 312 K HN -0.002 nan 8.250 nan 0.000 0.470 313 V N 0.691 120.216 119.914 -0.649 0.000 2.540 313 V HA 0.264 4.384 4.120 -0.000 0.000 0.302 313 V C 0.258 176.045 176.094 -0.511 0.000 1.035 313 V CA -0.656 61.355 62.300 -0.482 0.000 0.873 313 V CB 1.212 32.860 31.823 -0.292 0.000 0.992 313 V HN 0.236 nan 8.190 nan 0.000 0.428 314 Y N 3.352 123.615 120.300 -0.061 0.000 2.467 314 Y HA 0.243 4.793 4.550 -0.000 0.000 0.250 314 Y C 1.996 177.867 175.900 -0.049 0.000 1.155 314 Y CA -0.184 57.888 58.100 -0.048 0.000 1.249 314 Y CB -0.053 38.385 38.460 -0.037 0.000 1.146 314 Y HN 0.680 nan 8.280 nan 0.000 0.524 315 I N -2.808 117.784 120.570 0.036 0.000 2.181 315 I HA -0.306 3.864 4.170 -0.000 0.000 0.247 315 I C 1.235 177.251 176.117 -0.168 0.000 1.081 315 I CA 1.940 63.185 61.300 -0.091 0.000 1.340 315 I CB -0.442 37.480 38.000 -0.130 0.000 1.036 315 I HN 0.144 nan 8.210 nan 0.000 0.417 316 W N 1.402 122.660 121.300 -0.070 0.000 3.316 316 W HA 0.239 4.899 4.660 0.000 0.000 0.327 316 W C 2.388 178.907 176.519 0.000 0.000 1.232 316 W CA 0.152 57.486 57.345 -0.018 0.000 1.805 316 W CB -0.016 29.439 29.460 -0.009 0.000 1.090 316 W HN 0.012 nan 8.180 nan 0.000 0.654 317 S N -0.191 115.606 115.700 0.162 0.000 2.428 317 S HA -0.081 4.389 4.470 -0.000 0.000 0.230 317 S C 2.126 176.780 174.600 0.089 0.000 1.014 317 S CA 1.291 59.575 58.200 0.140 0.000 0.957 317 S CB -0.521 62.782 63.200 0.173 0.000 0.784 317 S HN 0.449 nan 8.310 nan 0.000 0.499 318 G N 2.290 111.104 108.800 0.024 0.000 2.394 318 G HA2 -0.144 3.815 3.960 -0.000 0.000 0.214 318 G HA3 -0.144 3.815 3.960 -0.000 0.000 0.214 318 G C 1.227 176.084 174.900 -0.072 0.000 1.176 318 G CA 0.455 45.531 45.100 -0.040 0.000 0.786 318 G HN 0.464 nan 8.290 nan 0.000 0.533 319 N N 0.614 119.254 118.700 -0.099 0.000 2.494 319 N HA 0.078 4.818 4.740 -0.000 0.000 0.182 319 N C 1.815 177.446 175.510 0.201 0.000 1.076 319 N CA 0.907 53.850 53.050 -0.179 0.000 0.908 319 N CB 0.092 38.514 38.487 -0.109 0.000 0.967 319 N HN 0.304 nan 8.380 nan 0.000 0.449 320 G N -0.758 108.165 108.800 0.205 0.000 3.324 320 G HA2 0.052 4.011 3.960 -0.000 0.000 0.251 320 G HA3 0.052 4.011 3.960 -0.000 0.000 0.251 320 G C 0.277 175.274 174.900 0.162 0.000 1.072 320 G CA -0.175 45.054 45.100 0.214 0.000 0.787 320 G HN 0.315 nan 8.290 nan 0.000 0.537 321 S N -0.252 115.538 115.700 0.151 0.000 2.608 321 S HA 0.263 4.733 4.470 -0.000 0.000 0.261 321 S C 1.515 176.183 174.600 0.114 0.000 1.314 321 S CA -0.018 58.251 58.200 0.115 0.000 0.992 321 S CB 1.803 65.059 63.200 0.093 0.000 0.935 321 S HN 0.018 nan 8.310 nan 0.000 0.564 322 K N 1.241 121.689 120.400 0.080 0.000 2.044 322 K HA -0.187 4.133 4.320 -0.000 0.000 0.210 322 K C 1.847 178.481 176.600 0.056 0.000 1.049 322 K CA 2.489 58.811 56.287 0.059 0.000 0.927 322 K CB -0.778 31.749 32.500 0.045 0.000 0.713 322 K HN 0.824 nan 8.250 nan 0.000 0.443 323 E N -0.989 119.253 120.200 0.070 0.000 2.028 323 E HA -0.178 4.172 4.350 -0.000 0.000 0.191 323 E C 1.999 178.645 176.600 0.077 0.000 0.988 323 E CA 1.423 57.861 56.400 0.063 0.000 0.799 323 E CB -0.698 29.041 29.700 0.066 0.000 0.755 323 E HN 0.371 nan 8.360 nan 0.000 0.447 324 Y N 1.303 121.611 120.300 0.013 0.000 2.102 324 Y HA -0.274 4.276 4.550 -0.000 0.000 0.280 324 Y C 1.857 177.763 175.900 0.011 0.000 1.178 324 Y CA 1.429 59.537 58.100 0.015 0.000 1.146 324 Y CB -0.387 38.088 38.460 0.024 0.000 0.968 324 Y HN -0.010 nan 8.280 nan 0.000 0.504 325 L N 0.378 121.571 121.223 -0.049 0.000 2.017 325 L HA -0.204 4.136 4.340 -0.000 0.000 0.208 325 L C 2.524 179.313 176.870 -0.134 0.000 1.073 325 L CA 2.240 57.002 54.840 -0.130 0.000 0.745 325 L CB -1.140 40.901 42.059 -0.031 0.000 0.894 325 L HN 0.224 nan 8.230 nan 0.000 0.432 326 E N -0.213 119.947 120.200 -0.066 0.000 2.049 326 E HA -0.301 4.049 4.350 -0.000 0.000 0.198 326 E C 2.413 178.969 176.600 -0.074 0.000 1.007 326 E CA 1.732 58.103 56.400 -0.047 0.000 0.809 326 E CB -0.137 29.555 29.700 -0.014 0.000 0.749 326 E HN 0.301 nan 8.360 nan 0.000 0.450 327 R N 0.585 121.026 120.500 -0.099 0.000 2.115 327 R HA -0.072 4.268 4.340 -0.000 0.000 0.230 327 R C 1.893 178.097 176.300 -0.161 0.000 1.111 327 R CA 1.596 57.633 56.100 -0.104 0.000 0.976 327 R CB -0.442 29.818 30.300 -0.067 0.000 0.870 327 R HN 0.456 nan 8.270 nan 0.000 0.445 328 I N -2.401 117.996 120.570 -0.288 0.000 3.864 328 I HA 0.460 4.630 4.170 -0.000 0.000 0.326 328 I C 0.277 176.286 176.117 -0.180 0.000 1.444 328 I CA 0.173 61.296 61.300 -0.295 0.000 1.195 328 I CB 0.517 38.183 38.000 -0.557 0.000 1.124 328 I HN 0.246 nan 8.210 nan 0.000 0.407 329 G N 2.325 111.056 108.800 -0.115 0.000 2.256 329 G HA2 -0.230 3.729 3.960 -0.000 0.000 0.272 329 G HA3 -0.230 3.729 3.960 -0.000 0.000 0.272 329 G C -0.136 174.753 174.900 -0.018 0.000 1.076 329 G CA 0.271 45.341 45.100 -0.051 0.000 0.882 329 G HN 0.517 nan 8.290 nan 0.000 0.497 330 L N -0.415 120.779 121.223 -0.049 0.000 2.928 330 L HA 0.364 4.704 4.340 -0.000 0.000 0.318 330 L C 1.829 178.634 176.870 -0.109 0.000 1.305 330 L CA 0.064 54.855 54.840 -0.082 0.000 0.756 330 L CB 0.417 42.380 42.059 -0.159 0.000 1.155 330 L HN 0.255 nan 8.230 nan 0.000 0.561 331 G N -0.676 108.128 108.800 0.006 0.000 2.484 331 G HA2 -0.192 3.767 3.960 -0.000 0.000 0.218 331 G HA3 -0.192 3.767 3.960 -0.000 0.000 0.218 331 G C 1.372 176.291 174.900 0.032 0.000 1.130 331 G CA 0.575 45.682 45.100 0.011 0.000 0.784 331 G HN 0.663 nan 8.290 nan 0.000 0.543 332 H N -0.189 118.879 119.070 -0.002 0.000 2.546 332 H HA 0.164 4.720 4.556 -0.000 0.000 0.277 332 H C 1.054 176.395 175.328 0.021 0.000 1.004 332 H CA 0.199 56.252 56.048 0.009 0.000 1.231 332 H CB -0.003 29.763 29.762 0.007 0.000 1.382 332 H HN 0.080 nan 8.280 nan 0.000 0.580 333 R N 2.255 122.529 120.500 -0.377 0.000 2.490 333 R HA 0.059 4.399 4.340 -0.000 0.000 0.280 333 R C -0.037 176.216 176.300 -0.078 0.000 1.077 333 R CA -0.258 55.681 56.100 -0.268 0.000 1.065 333 R CB 0.397 30.518 30.300 -0.298 0.000 1.003 333 R HN 0.454 nan 8.270 nan 0.000 0.470 334 E N 2.476 122.665 120.200 -0.019 0.000 2.331 334 E HA -0.032 4.317 4.350 -0.000 0.000 0.272 334 E C 0.288 176.907 176.600 0.031 0.000 1.036 334 E CA -0.262 56.157 56.400 0.033 0.000 0.864 334 E CB 0.960 30.713 29.700 0.087 0.000 1.035 334 E HN 0.641 nan 8.360 nan 0.000 0.408 335 E N 3.881 124.109 120.200 0.047 0.000 2.520 335 E HA -0.346 4.004 4.350 -0.000 0.000 0.248 335 E C 0.058 176.693 176.600 0.058 0.000 0.958 335 E CA 2.634 59.066 56.400 0.055 0.000 1.105 335 E CB -0.361 29.379 29.700 0.067 0.000 1.086 335 E HN 0.590 nan 8.360 nan 0.000 0.523 336 N N 1.016 119.755 118.700 0.063 0.000 2.802 336 N HA 0.103 4.842 4.740 -0.000 0.000 0.288 336 N C -1.427 174.105 175.510 0.037 0.000 1.268 336 N CA 0.133 53.226 53.050 0.072 0.000 1.035 336 N CB 0.242 38.779 38.487 0.083 0.000 1.353 336 N HN 0.164 nan 8.380 nan 0.000 0.522 337 D N 0.842 121.249 120.400 0.012 0.000 2.441 337 D HA 0.085 4.725 4.640 -0.000 0.000 0.221 337 D C 1.023 177.312 176.300 -0.019 0.000 1.156 337 D CA -0.159 53.835 54.000 -0.011 0.000 0.896 337 D CB 0.604 41.396 40.800 -0.013 0.000 1.028 337 D HN 0.261 nan 8.370 nan 0.000 0.509 338 L N 2.788 124.001 121.223 -0.016 0.000 2.376 338 L HA 0.085 4.425 4.340 -0.000 0.000 0.219 338 L C 1.538 178.285 176.870 -0.206 0.000 1.133 338 L CA 0.601 55.423 54.840 -0.030 0.000 0.816 338 L CB -0.623 41.440 42.059 0.006 0.000 0.933 338 L HN 0.609 nan 8.230 nan 0.000 0.449 339 G N 0.310 108.886 108.800 -0.372 0.000 2.728 339 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.294 339 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.294 339 G C -2.605 171.555 174.900 -1.232 0.000 1.342 339 G CA -0.532 44.037 45.100 -0.886 0.000 0.866 339 G HN 0.019 nan 8.290 nan 0.000 0.534 340 P HA 0.318 nan 4.420 nan 0.000 0.226 340 P C 0.713 177.627 177.300 -0.642 0.000 1.783 340 P CA 0.055 62.247 63.100 -1.514 0.000 0.980 340 P CB -0.872 29.928 31.700 -1.500 0.000 1.967 341 I N -3.411 116.854 120.570 -0.509 0.000 4.126 341 I HA 0.332 4.502 4.170 -0.000 0.000 0.245 341 I C 1.414 177.321 176.117 -0.351 0.000 1.367 341 I CA -1.176 59.861 61.300 -0.438 0.000 1.178 341 I CB -0.150 37.563 38.000 -0.478 0.000 1.495 341 I HN -0.182 nan 8.210 nan 0.000 0.561 342 Y N 1.350 121.381 120.300 -0.448 0.000 2.029 342 Y HA -0.235 4.315 4.550 -0.000 0.000 0.269 342 Y C 2.616 178.150 175.900 -0.610 0.000 1.201 342 Y CA 2.732 60.476 58.100 -0.592 0.000 1.115 342 Y CB -1.142 36.547 38.460 -1.285 0.000 0.945 342 Y HN 0.720 nan 8.280 nan 0.000 0.497 343 G N -2.383 106.078 108.800 -0.565 0.000 2.650 343 G HA2 -0.197 3.762 3.960 -0.000 0.000 0.214 343 G HA3 -0.197 3.762 3.960 -0.000 0.000 0.214 343 G C 1.427 176.278 174.900 -0.080 0.000 1.136 343 G CA 0.231 45.077 45.100 -0.423 0.000 0.789 343 G HN 0.421 nan 8.290 nan 0.000 0.536 344 F N 0.916 120.750 119.950 -0.192 0.000 2.259 344 F HA 0.024 4.551 4.527 -0.000 0.000 0.298 344 F C 2.549 178.351 175.800 0.004 0.000 1.088 344 F CA 1.169 59.128 58.000 -0.069 0.000 1.358 344 F CB 0.369 39.275 39.000 -0.156 0.000 1.040 344 F HN 0.077 nan 8.300 nan 0.000 0.505 345 Q N -1.367 118.568 119.800 0.225 0.000 2.398 345 Q HA -0.100 4.240 4.340 -0.000 0.000 0.204 345 Q C 1.803 178.026 176.000 0.372 0.000 0.932 345 Q CA 0.649 56.616 55.803 0.272 0.000 0.916 345 Q CB -0.593 28.315 28.738 0.283 0.000 1.024 345 Q HN 0.506 nan 8.270 nan 0.000 0.504 346 W N 1.116 122.414 121.300 -0.003 0.000 2.418 346 W HA -0.034 4.625 4.660 -0.001 0.000 0.292 346 W C 1.791 178.242 176.519 -0.112 0.000 1.213 346 W CA 0.690 58.024 57.345 -0.017 0.000 1.283 346 W CB 0.167 29.617 29.460 -0.017 0.000 1.119 346 W HN 0.081 nan 8.180 nan 0.000 0.542 347 R N -1.904 118.553 120.500 -0.072 0.000 2.394 347 R HA 0.120 4.460 4.340 -0.000 0.000 0.220 347 R C 0.025 175.893 176.300 -0.721 0.000 0.887 347 R CA 0.568 56.412 56.100 -0.428 0.000 1.034 347 R CB -0.199 29.727 30.300 -0.622 0.000 1.179 347 R HN 0.224 nan 8.270 nan 0.000 0.561 348 H N -0.741 118.210 119.070 -0.198 0.000 2.790 348 H HA 0.128 4.684 4.556 -0.000 0.000 0.232 348 H C -0.769 174.416 175.328 -0.237 0.000 1.313 348 H CA -1.061 54.777 56.048 -0.350 0.000 1.011 348 H CB -0.454 28.791 29.762 -0.862 0.000 2.105 348 H HN -0.013 nan 8.280 nan 0.000 0.580 349 Y N 2.808 123.075 120.300 -0.055 0.000 2.916 349 Y HA -0.220 4.329 4.550 -0.001 0.000 0.344 349 Y C 1.153 177.077 175.900 0.039 0.000 1.282 349 Y CA 1.026 59.134 58.100 0.013 0.000 1.604 349 Y CB 0.007 38.478 38.460 0.017 0.000 1.207 349 Y HN 0.437 nan 8.280 nan 0.000 0.561 350 N N 1.887 120.213 118.700 -0.624 0.000 2.936 350 N HA -0.168 4.571 4.740 -0.000 0.000 0.236 350 N C 0.116 175.585 175.510 -0.068 0.000 0.930 350 N CA 1.167 53.980 53.050 -0.396 0.000 0.966 350 N CB -1.396 36.935 38.487 -0.259 0.000 1.090 350 N HN 0.952 nan 8.380 nan 0.000 0.592 351 G N 0.879 109.679 108.800 0.000 0.000 2.441 351 G HA2 0.227 4.187 3.960 -0.000 0.000 0.243 351 G HA3 0.227 4.187 3.960 -0.000 0.000 0.243 351 G C -0.170 174.866 174.900 0.225 0.000 1.281 351 G CA -0.055 45.088 45.100 0.073 0.000 0.854 351 G HN 0.429 nan 8.290 nan 0.000 0.560 352 E N 1.332 121.652 120.200 0.200 0.000 2.299 352 E HA 0.095 4.444 4.350 -0.000 0.000 0.272 352 E C -1.065 175.730 176.600 0.324 0.000 1.043 352 E CA -0.465 56.060 56.400 0.208 0.000 0.895 352 E CB 0.369 30.145 29.700 0.126 0.000 1.011 352 E HN 0.454 nan 8.360 nan 0.000 0.432 353 Y N 4.988 125.354 120.300 0.109 0.000 2.316 353 Y HA 0.152 4.702 4.550 -0.000 0.000 0.331 353 Y C 0.401 176.357 175.900 0.094 0.000 1.083 353 Y CA 0.309 58.412 58.100 0.004 0.000 1.206 353 Y CB 1.005 39.197 38.460 -0.446 0.000 1.195 353 Y HN 0.548 nan 8.280 nan 0.000 0.497 354 K N 1.621 121.957 120.400 -0.107 0.000 2.758 354 K HA 0.293 4.613 4.320 -0.000 0.000 0.247 354 K C -0.102 176.431 176.600 -0.111 0.000 1.155 354 K CA 0.479 56.742 56.287 -0.041 0.000 1.011 354 K CB 0.144 32.618 32.500 -0.043 0.000 1.633 354 K HN 0.648 nan 8.250 nan 0.000 0.438 355 T N -2.028 112.413 114.554 -0.188 0.000 2.838 355 T HA 0.260 4.610 4.350 -0.000 0.000 0.292 355 T C 1.027 175.621 174.700 -0.177 0.000 1.113 355 T CA -0.837 61.196 62.100 -0.111 0.000 1.008 355 T CB 1.270 70.159 68.868 0.034 0.000 1.259 355 T HN 0.315 nan 8.240 nan 0.000 0.520 356 M N 0.017 119.537 119.600 -0.132 0.000 2.279 356 M HA -0.014 4.466 4.480 -0.000 0.000 0.264 356 M C 1.465 177.674 176.300 -0.150 0.000 1.062 356 M CA 1.673 56.890 55.300 -0.139 0.000 1.099 356 M CB -1.195 31.260 32.600 -0.242 0.000 1.394 356 M HN 0.772 nan 8.290 nan 0.000 0.426 357 H N 0.695 119.771 119.070 0.010 0.000 2.547 357 H HA 0.170 4.725 4.556 -0.000 0.000 0.272 357 H C -0.194 175.090 175.328 -0.074 0.000 0.989 357 H CA 0.121 56.162 56.048 -0.011 0.000 1.214 357 H CB -0.315 29.440 29.762 -0.013 0.000 1.389 357 H HN 0.455 nan 8.280 nan 0.000 0.577 358 D N 0.649 120.999 120.400 -0.083 0.000 2.378 358 D HA 0.002 4.642 4.640 -0.000 0.000 0.238 358 D C 0.004 176.030 176.300 -0.456 0.000 1.180 358 D CA 0.309 54.089 54.000 -0.367 0.000 0.895 358 D CB 0.514 40.870 40.800 -0.740 0.000 1.192 358 D HN 0.233 nan 8.370 nan 0.000 0.438 359 D N 0.241 120.355 120.400 -0.477 0.000 2.443 359 D HA 0.109 4.749 4.640 -0.000 0.000 0.221 359 D C -0.698 175.303 176.300 -0.498 0.000 1.097 359 D CA -0.435 53.361 54.000 -0.341 0.000 0.865 359 D CB 0.015 40.712 40.800 -0.171 0.000 1.034 359 D HN 0.318 nan 8.370 nan 0.000 0.511 360 Y N 1.762 121.936 120.300 -0.212 0.000 2.495 360 Y HA 0.149 4.699 4.550 -0.000 0.000 0.293 360 Y C 1.398 177.071 175.900 -0.378 0.000 1.186 360 Y CA -0.284 57.575 58.100 -0.403 0.000 1.266 360 Y CB -0.037 37.961 38.460 -0.771 0.000 1.101 360 Y HN 0.253 nan 8.280 nan 0.000 0.517 361 T N 0.881 115.392 114.554 -0.071 0.000 2.738 361 T HA 0.241 4.591 4.350 -0.000 0.000 0.277 361 T C 1.248 175.966 174.700 0.030 0.000 0.981 361 T CA 1.443 63.560 62.100 0.028 0.000 1.211 361 T CB -0.504 68.376 68.868 0.019 0.000 0.932 361 T HN 0.862 nan 8.240 nan 0.000 0.522 362 G N 3.310 112.167 108.800 0.094 0.000 2.162 362 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.260 362 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.260 362 G C 0.311 175.251 174.900 0.067 0.000 0.976 362 G CA 0.193 45.339 45.100 0.077 0.000 0.655 362 G HN 0.850 nan 8.290 nan 0.000 0.533 363 V N 0.292 120.238 119.914 0.054 0.000 2.863 363 V HA 0.795 4.915 4.120 -0.000 0.000 0.307 363 V C 1.288 177.441 176.094 0.097 0.000 1.061 363 V CA 1.191 63.520 62.300 0.048 0.000 1.024 363 V CB 1.277 33.118 31.823 0.031 0.000 1.049 363 V HN 2.261 nan 8.190 nan 0.000 0.471 364 G N 3.468 112.313 108.800 0.075 0.000 2.880 364 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.617 364 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.617 364 G C -0.644 174.321 174.900 0.109 0.000 1.493 364 G CA -0.352 44.796 45.100 0.080 0.000 0.916 364 G HN 1.205 nan 8.290 nan 0.000 0.553 365 V N 0.963 120.960 119.914 0.139 0.000 2.498 365 V HA 0.375 4.494 4.120 -0.000 0.000 0.279 365 V C 0.485 176.625 176.094 0.078 0.000 1.048 365 V CA 0.362 62.733 62.300 0.119 0.000 0.967 365 V CB 1.678 33.588 31.823 0.145 0.000 0.988 365 V HN 0.809 nan 8.190 nan 0.000 0.473 366 D N 3.728 124.145 120.400 0.029 0.000 2.468 366 D HA 0.200 4.840 4.640 -0.000 0.000 0.218 366 D C 1.092 177.381 176.300 -0.017 0.000 1.155 366 D CA 0.038 54.025 54.000 -0.021 0.000 0.924 366 D CB 0.960 41.744 40.800 -0.025 0.000 1.029 366 D HN 0.570 nan 8.370 nan 0.000 0.515 367 Q N 1.697 121.485 119.800 -0.019 0.000 2.020 367 Q HA -0.161 4.179 4.340 -0.000 0.000 0.202 367 Q C 1.722 177.682 176.000 -0.066 0.000 0.982 367 Q CA 0.963 56.734 55.803 -0.053 0.000 0.838 367 Q CB 0.045 28.729 28.738 -0.090 0.000 0.899 367 Q HN 0.477 nan 8.270 nan 0.000 0.423 368 L N 0.860 122.051 121.223 -0.054 0.000 2.046 368 L HA -0.131 4.209 4.340 -0.000 0.000 0.208 368 L C 2.213 179.065 176.870 -0.030 0.000 1.077 368 L CA 2.097 56.907 54.840 -0.049 0.000 0.747 368 L CB -0.824 41.265 42.059 0.050 0.000 0.896 368 L HN 0.132 nan 8.230 nan 0.000 0.432 369 A N -0.630 122.181 122.820 -0.015 0.000 1.883 369 A HA -0.270 4.050 4.320 -0.000 0.000 0.217 369 A C 2.450 180.028 177.584 -0.009 0.000 1.186 369 A CA 2.147 54.179 52.037 -0.008 0.000 0.624 369 A CB -0.631 18.366 19.000 -0.005 0.000 0.822 369 A HN 0.496 nan 8.150 nan 0.000 0.444 370 K N -0.720 119.673 120.400 -0.011 0.000 2.057 370 K HA -0.046 4.274 4.320 -0.000 0.000 0.207 370 K C 2.017 178.621 176.600 0.007 0.000 1.049 370 K CA 1.124 57.410 56.287 -0.002 0.000 0.931 370 K CB -0.341 32.154 32.500 -0.007 0.000 0.714 370 K HN 0.504 nan 8.250 nan 0.000 0.440 371 L N 1.568 122.784 121.223 -0.013 0.000 2.013 371 L HA -0.244 4.096 4.340 -0.000 0.000 0.212 371 L C 2.114 178.982 176.870 -0.004 0.000 1.073 371 L CA 1.695 56.530 54.840 -0.008 0.000 0.753 371 L CB -0.360 41.642 42.059 -0.094 0.000 0.890 371 L HN 0.259 nan 8.230 nan 0.000 0.432 372 I N -0.681 119.874 120.570 -0.025 0.000 2.252 372 I HA -0.251 3.919 4.170 -0.000 0.000 0.245 372 I C 2.505 178.631 176.117 0.016 0.000 1.102 372 I CA 0.822 62.112 61.300 -0.016 0.000 1.385 372 I CB -0.577 37.412 38.000 -0.019 0.000 1.064 372 I HN 0.269 nan 8.210 nan 0.000 0.414 373 E N 1.193 121.406 120.200 0.021 0.000 2.058 373 E HA -0.184 4.166 4.350 -0.000 0.000 0.194 373 E C 2.310 178.949 176.600 0.065 0.000 0.997 373 E CA 2.259 58.679 56.400 0.033 0.000 0.801 373 E CB -0.627 29.088 29.700 0.024 0.000 0.746 373 E HN 0.561 nan 8.360 nan 0.000 0.450 374 T N 0.888 115.501 114.554 0.099 0.000 2.904 374 T HA -0.014 4.335 4.350 -0.000 0.000 0.267 374 T C 2.277 177.120 174.700 0.238 0.000 1.059 374 T CA 0.495 62.701 62.100 0.176 0.000 1.137 374 T CB -0.314 68.686 68.868 0.220 0.000 0.879 374 T HN 0.018 nan 8.240 nan 0.000 0.467 375 L N 1.258 122.549 121.223 0.113 0.000 1.989 375 L HA -0.160 4.180 4.340 -0.000 0.000 0.211 375 L C 2.875 179.834 176.870 0.148 0.000 1.071 375 L CA 1.732 56.551 54.840 -0.035 0.000 0.749 375 L CB -0.444 41.574 42.059 -0.069 0.000 0.890 375 L HN 0.392 nan 8.230 nan 0.000 0.431 376 K N -0.505 119.981 120.400 0.143 0.000 2.103 376 K HA -0.078 4.242 4.320 -0.000 0.000 0.204 376 K C 1.558 178.220 176.600 0.104 0.000 1.052 376 K CA 1.635 57.998 56.287 0.126 0.000 0.945 376 K CB -0.357 32.151 32.500 0.012 0.000 0.722 376 K HN 0.368 nan 8.250 nan 0.000 0.443 377 N N 0.449 119.201 118.700 0.086 0.000 2.220 377 N HA -0.052 4.688 4.740 -0.000 0.000 0.182 377 N C -0.075 175.482 175.510 0.078 0.000 1.023 377 N CA 0.623 53.713 53.050 0.067 0.000 0.856 377 N CB 0.125 38.639 38.487 0.046 0.000 0.997 377 N HN 0.038 nan 8.380 nan 0.000 0.429 378 N N 0.213 118.978 118.700 0.108 0.000 2.626 378 N HA 0.224 4.964 4.740 -0.000 0.000 0.249 378 N C -2.167 173.461 175.510 0.197 0.000 1.021 378 N CA -1.623 51.491 53.050 0.106 0.000 0.886 378 N CB 2.132 40.658 38.487 0.064 0.000 1.149 378 N HN 0.052 nan 8.380 nan 0.000 0.517 379 P HA 0.021 nan 4.420 nan 0.000 0.218 379 P C 0.256 177.622 177.300 0.111 0.000 1.147 379 P CA 0.779 63.921 63.100 0.070 0.000 0.863 379 P CB 0.599 32.300 31.700 0.003 0.000 0.812 380 K N -0.133 120.283 120.400 0.028 0.000 2.505 380 K HA 0.069 4.389 4.320 -0.000 0.000 0.192 380 K C 0.185 176.775 176.600 -0.016 0.000 1.025 380 K CA -0.063 56.202 56.287 -0.037 0.000 1.086 380 K CB -0.426 32.046 32.500 -0.046 0.000 0.840 380 K HN 0.105 nan 8.250 nan 0.000 0.514 381 D N 1.489 121.885 120.400 -0.006 0.000 2.419 381 D HA -0.026 4.614 4.640 -0.000 0.000 0.236 381 D C 0.453 176.620 176.300 -0.220 0.000 1.165 381 D CA 0.574 54.477 54.000 -0.162 0.000 0.882 381 D CB 0.651 41.253 40.800 -0.330 0.000 1.201 381 D HN 0.004 nan 8.370 nan 0.000 0.443 382 R N 1.606 122.003 120.500 -0.173 0.000 2.652 382 R HA 0.252 4.592 4.340 -0.000 0.000 0.372 382 R C 0.631 176.862 176.300 -0.115 0.000 1.104 382 R CA -0.085 55.967 56.100 -0.080 0.000 1.072 382 R CB 0.622 30.923 30.300 0.001 0.000 1.367 382 R HN 0.121 nan 8.270 nan 0.000 0.577 383 R N -0.221 120.114 120.500 -0.275 0.000 2.476 383 R HA 0.144 4.483 4.340 -0.000 0.000 0.276 383 R C -0.297 175.915 176.300 -0.146 0.000 0.941 383 R CA -0.166 55.824 56.100 -0.182 0.000 1.088 383 R CB 0.464 30.669 30.300 -0.158 0.000 1.216 383 R HN 0.232 nan 8.270 nan 0.000 0.533 384 H N 1.434 120.541 119.070 0.060 0.000 3.412 384 H HA 0.069 4.625 4.556 -0.000 0.000 0.240 384 H C -0.030 175.388 175.328 0.151 0.000 1.213 384 H CA 0.746 56.855 56.048 0.100 0.000 1.497 384 H CB -0.332 29.517 29.762 0.146 0.000 1.619 384 H HN 0.123 nan 8.280 nan 0.000 0.508 385 I N 3.522 124.195 120.570 0.172 0.000 2.656 385 I HA 0.137 4.307 4.170 -0.000 0.000 0.292 385 I C -0.749 175.402 176.117 0.058 0.000 1.144 385 I CA -0.934 60.443 61.300 0.129 0.000 1.038 385 I CB 2.681 40.710 38.000 0.049 0.000 1.244 385 I HN 0.165 nan 8.210 nan 0.000 0.420 386 L N 4.382 125.645 121.223 0.066 0.000 2.365 386 L HA 0.746 5.086 4.340 -0.000 0.000 0.273 386 L C -0.457 176.394 176.870 -0.031 0.000 1.000 386 L CA 0.081 54.873 54.840 -0.080 0.000 0.819 386 L CB 1.953 43.899 42.059 -0.188 0.000 1.284 386 L HN 0.686 nan 8.230 nan 0.000 0.418 387 T N 2.654 117.181 114.554 -0.045 0.000 2.952 387 T HA 0.701 5.051 4.350 -0.000 0.000 0.305 387 T C 0.092 174.925 174.700 0.221 0.000 1.064 387 T CA 0.181 62.342 62.100 0.102 0.000 1.008 387 T CB 1.558 70.477 68.868 0.085 0.000 1.078 387 T HN 0.722 nan 8.240 nan 0.000 0.459 388 A N 3.627 126.657 122.820 0.350 0.000 2.348 388 A HA 0.272 4.592 4.320 -0.000 0.000 0.224 388 A C 0.618 178.383 177.584 0.303 0.000 1.227 388 A CA -0.535 51.720 52.037 0.364 0.000 0.885 388 A CB 0.046 19.285 19.000 0.398 0.000 0.933 388 A HN 0.817 nan 8.150 nan 0.000 0.506 389 W N 2.307 123.716 121.300 0.183 0.000 2.497 389 W HA 0.282 4.942 4.660 0.000 0.000 0.354 389 W C -0.838 175.791 176.519 0.184 0.000 1.111 389 W CA -0.342 57.090 57.345 0.144 0.000 1.510 389 W CB 0.195 29.731 29.460 0.126 0.000 1.466 389 W HN 0.232 nan 8.180 nan 0.000 0.409 390 N N 7.118 125.613 118.700 -0.342 0.000 2.518 390 N HA 0.254 4.993 4.740 -0.000 0.000 0.254 390 N C -1.962 173.248 175.510 -0.499 0.000 0.979 390 N CA -2.128 50.771 53.050 -0.252 0.000 0.930 390 N CB 1.920 40.273 38.487 -0.222 0.000 1.152 390 N HN 0.045 nan 8.380 nan 0.000 0.505 391 P HA -0.060 nan 4.420 nan 0.000 0.215 391 P C 1.195 178.377 177.300 -0.197 0.000 1.157 391 P CA 1.149 64.088 63.100 -0.267 0.000 0.868 391 P CB 0.386 32.054 31.700 -0.053 0.000 0.788 392 S N -0.927 114.688 115.700 -0.143 0.000 2.402 392 S HA -0.173 4.297 4.470 -0.000 0.000 0.233 392 S C 1.845 176.352 174.600 -0.156 0.000 1.030 392 S CA 1.542 59.670 58.200 -0.120 0.000 1.003 392 S CB -0.774 62.367 63.200 -0.099 0.000 0.813 392 S HN 0.167 nan 8.310 nan 0.000 0.477 393 A N 0.070 122.757 122.820 -0.222 0.000 2.220 393 A HA 0.378 4.698 4.320 -0.000 0.000 0.211 393 A C 1.806 179.224 177.584 -0.277 0.000 1.176 393 A CA -0.087 51.803 52.037 -0.246 0.000 0.834 393 A CB -0.240 18.594 19.000 -0.277 0.000 0.868 393 A HN 0.413 nan 8.150 nan 0.000 0.488 394 L N 0.733 121.775 121.223 -0.303 0.000 2.043 394 L HA -0.271 4.068 4.340 -0.000 0.000 0.212 394 L C 3.039 179.794 176.870 -0.191 0.000 1.075 394 L CA 1.817 56.480 54.840 -0.296 0.000 0.752 394 L CB -0.562 41.301 42.059 -0.326 0.000 0.891 394 L HN 0.621 nan 8.230 nan 0.000 0.432 395 S N -0.436 115.172 115.700 -0.153 0.000 2.359 395 S HA -0.288 4.182 4.470 -0.000 0.000 0.224 395 S C 1.760 176.287 174.600 -0.121 0.000 1.035 395 S CA 1.308 59.443 58.200 -0.108 0.000 1.018 395 S CB -0.522 62.629 63.200 -0.082 0.000 0.876 395 S HN 0.546 nan 8.310 nan 0.000 0.448 396 Q N 0.389 120.089 119.800 -0.166 0.000 2.451 396 Q HA 0.284 4.624 4.340 -0.000 0.000 0.206 396 Q C 0.232 176.063 176.000 -0.283 0.000 0.947 396 Q CA 0.182 55.863 55.803 -0.203 0.000 0.937 396 Q CB -0.216 28.376 28.738 -0.244 0.000 1.025 396 Q HN 0.630 nan 8.270 nan 0.000 0.511 397 M N -0.952 118.495 119.600 -0.254 0.000 2.291 397 M HA 0.273 4.753 4.480 -0.000 0.000 0.324 397 M C 0.956 177.203 176.300 -0.088 0.000 1.148 397 M CA -0.303 54.852 55.300 -0.242 0.000 1.104 397 M CB 0.987 33.433 32.600 -0.257 0.000 1.483 397 M HN -0.018 nan 8.290 nan 0.000 0.467 398 A N 1.576 124.398 122.820 0.003 0.000 1.843 398 A HA 0.155 4.475 4.320 -0.000 0.000 0.213 398 A C 0.498 178.279 177.584 0.329 0.000 1.202 398 A CA 1.014 53.184 52.037 0.223 0.000 0.607 398 A CB 0.026 19.209 19.000 0.306 0.000 0.847 398 A HN 0.618 nan 8.150 nan 0.000 0.445 399 L N 0.667 122.073 121.223 0.306 0.000 2.345 399 L HA 0.562 4.902 4.340 -0.000 0.000 0.274 399 L C -2.914 174.058 176.870 0.170 0.000 0.999 399 L CA -2.389 52.617 54.840 0.276 0.000 0.849 399 L CB 1.261 43.495 42.059 0.291 0.000 1.220 399 L HN -0.083 nan 8.230 nan 0.000 0.422 400 P HA 0.081 nan 4.420 nan 0.000 0.264 400 P C -2.513 174.852 177.300 0.108 0.000 1.179 400 P CA -0.364 62.751 63.100 0.025 0.000 0.763 400 P CB -0.261 31.504 31.700 0.109 0.000 0.806 401 P HA -0.023 nan 4.420 nan 0.000 0.264 401 P C 0.151 177.688 177.300 0.395 0.000 1.193 401 P CA 0.275 63.370 63.100 -0.008 0.000 0.763 401 P CB 0.223 31.923 31.700 -0.001 0.000 0.810 402 C N 1.492 121.092 119.300 0.500 0.000 2.611 402 C HA 0.019 4.479 4.460 -0.000 0.000 0.283 402 C C 1.054 176.264 174.990 0.367 0.000 1.340 402 C CA 0.228 59.485 59.018 0.398 0.000 1.716 402 C CB -1.811 26.175 27.740 0.411 0.000 2.134 402 C HN 0.666 nan 8.230 nan 0.000 0.526 403 H N 0.134 119.454 119.070 0.417 0.000 3.089 403 H HA 0.420 4.976 4.556 -0.000 0.000 0.262 403 H C 0.512 176.112 175.328 0.453 0.000 1.160 403 H CA -0.377 55.858 56.048 0.311 0.000 1.482 403 H CB 0.390 30.319 29.762 0.279 0.000 1.511 403 H HN 0.009 nan 8.280 nan 0.000 0.483 404 V N 3.712 123.840 119.914 0.357 0.000 2.825 404 V HA 0.125 4.245 4.120 -0.000 0.000 0.246 404 V C 0.441 176.749 176.094 0.355 0.000 1.068 404 V CA 0.630 63.159 62.300 0.381 0.000 1.088 404 V CB 0.088 32.092 31.823 0.301 0.000 0.733 404 V HN 0.777 nan 8.190 nan 0.000 0.468 405 L N -0.272 121.128 121.223 0.295 0.000 2.592 405 L HA 0.529 4.869 4.340 -0.000 0.000 0.258 405 L C -1.169 175.797 176.870 0.160 0.000 0.926 405 L CA -0.196 54.777 54.840 0.222 0.000 0.885 405 L CB 2.185 44.349 42.059 0.174 0.000 1.380 405 L HN 0.105 nan 8.230 nan 0.000 0.415 406 S N 3.064 118.847 115.700 0.139 0.000 2.568 406 S HA 0.724 5.194 4.470 -0.000 0.000 0.293 406 S C -1.110 173.497 174.600 0.012 0.000 1.089 406 S CA -0.771 57.457 58.200 0.048 0.000 0.945 406 S CB 2.168 65.472 63.200 0.173 0.000 1.077 406 S HN 0.756 nan 8.310 nan 0.000 0.485 407 Q N 0.364 120.046 119.800 -0.197 0.000 2.397 407 Q HA 0.580 4.920 4.340 -0.000 0.000 0.275 407 Q C -2.076 173.638 176.000 -0.477 0.000 1.090 407 Q CA -0.716 55.033 55.803 -0.091 0.000 0.809 407 Q CB 1.665 30.408 28.738 0.008 0.000 1.362 407 Q HN 0.818 nan 8.270 nan 0.000 0.431 408 Y N 0.651 121.047 120.300 0.160 0.000 2.598 408 Y HA 0.611 5.161 4.550 -0.000 0.000 0.340 408 Y C -1.066 174.955 175.900 0.201 0.000 1.038 408 Y CA -0.785 57.394 58.100 0.131 0.000 1.100 408 Y CB 1.775 40.255 38.460 0.033 0.000 1.281 408 Y HN 0.630 nan 8.280 nan 0.000 0.488 409 Y N -0.470 119.882 120.300 0.088 0.000 2.571 409 Y HA 0.703 5.253 4.550 -0.000 0.000 0.341 409 Y C -1.858 173.989 175.900 -0.088 0.000 1.076 409 Y CA -1.143 56.976 58.100 0.032 0.000 1.029 409 Y CB 1.758 40.236 38.460 0.030 0.000 1.308 409 Y HN 0.353 nan 8.280 nan 0.000 0.461 410 V N 4.604 124.203 119.914 -0.526 0.000 2.380 410 V HA 0.278 4.398 4.120 -0.000 0.000 0.286 410 V C -0.236 175.585 176.094 -0.456 0.000 1.015 410 V CA -0.530 61.468 62.300 -0.503 0.000 0.834 410 V CB 1.365 32.815 31.823 -0.620 0.000 1.009 410 V HN 0.893 nan 8.190 nan 0.000 0.428 411 T N 1.003 115.486 114.554 -0.118 0.000 2.802 411 T HA 0.086 4.436 4.350 -0.000 0.000 0.305 411 T C 1.179 175.864 174.700 -0.025 0.000 1.053 411 T CA -0.052 62.082 62.100 0.057 0.000 1.058 411 T CB 0.539 69.488 68.868 0.136 0.000 0.988 411 T HN 0.583 nan 8.240 nan 0.000 0.539 412 N N 0.936 119.654 118.700 0.030 0.000 2.289 412 N HA -0.119 4.621 4.740 -0.000 0.000 0.184 412 N C 0.690 176.224 175.510 0.040 0.000 1.016 412 N CA 1.082 54.146 53.050 0.023 0.000 0.872 412 N CB -0.088 38.426 38.487 0.044 0.000 0.973 412 N HN 0.777 nan 8.380 nan 0.000 0.433 413 D N -0.086 120.347 120.400 0.055 0.000 2.434 413 D HA 0.011 4.651 4.640 -0.000 0.000 0.232 413 D C -0.305 176.044 176.300 0.083 0.000 1.166 413 D CA -0.160 53.881 54.000 0.067 0.000 0.830 413 D CB -0.681 40.161 40.800 0.070 0.000 0.960 413 D HN -0.010 nan 8.370 nan 0.000 0.497 414 N N -0.735 118.011 118.700 0.077 0.000 2.735 414 N HA -0.166 4.574 4.740 -0.000 0.000 0.248 414 N C -0.877 174.717 175.510 0.141 0.000 1.083 414 N CA 0.492 53.631 53.050 0.148 0.000 0.703 414 N CB -1.792 36.863 38.487 0.279 0.000 1.005 414 N HN 0.361 nan 8.380 nan 0.000 0.550 415 C N 1.112 120.440 119.300 0.047 0.000 2.319 415 C HA 0.462 4.922 4.460 -0.000 0.000 0.335 415 C C 0.856 175.842 174.990 -0.006 0.000 1.274 415 C CA -0.777 58.275 59.018 0.058 0.000 1.806 415 C CB 0.808 28.592 27.740 0.072 0.000 2.329 415 C HN 0.331 nan 8.230 nan 0.000 0.524 416 L N 4.440 125.682 121.223 0.031 0.000 2.288 416 L HA 0.350 4.690 4.340 -0.000 0.000 0.283 416 L C 0.319 177.257 176.870 0.114 0.000 1.072 416 L CA 0.867 55.725 54.840 0.030 0.000 0.862 416 L CB 0.119 42.226 42.059 0.079 0.000 1.245 416 L HN 0.728 nan 8.230 nan 0.000 0.432 417 S N 3.312 119.094 115.700 0.136 0.000 2.610 417 S HA 0.550 5.020 4.470 -0.000 0.000 0.273 417 S C -0.546 174.118 174.600 0.106 0.000 1.274 417 S CA -0.538 57.729 58.200 0.112 0.000 1.023 417 S CB 1.181 64.435 63.200 0.089 0.000 0.962 417 S HN 0.799 nan 8.310 nan 0.000 0.523 418 C N 2.860 122.163 119.300 0.006 0.000 2.712 418 C HA 0.640 5.100 4.460 -0.000 0.000 0.308 418 C C -0.871 174.001 174.990 -0.196 0.000 1.201 418 C CA -0.774 58.126 59.018 -0.198 0.000 1.554 418 C CB 0.301 27.975 27.740 -0.110 0.000 2.117 418 C HN 0.986 nan 8.230 nan 0.000 0.480 419 N N 2.405 120.949 118.700 -0.260 0.000 2.284 419 N HA 0.718 5.458 4.740 -0.000 0.000 0.300 419 N C -1.642 173.795 175.510 -0.122 0.000 1.047 419 N CA -0.525 52.460 53.050 -0.109 0.000 0.821 419 N CB 1.951 40.502 38.487 0.107 0.000 1.337 419 N HN 0.670 nan 8.380 nan 0.000 0.482 420 L N 2.537 123.692 121.223 -0.113 0.000 2.385 420 L HA 0.478 4.817 4.340 -0.000 0.000 0.273 420 L C -1.768 175.137 176.870 0.059 0.000 0.990 420 L CA -0.667 54.096 54.840 -0.129 0.000 0.821 420 L CB 1.232 43.030 42.059 -0.434 0.000 1.279 420 L HN 0.523 nan 8.230 nan 0.000 0.412 421 Y N 3.863 124.179 120.300 0.026 0.000 2.331 421 Y HA 0.513 5.063 4.550 -0.000 0.000 0.338 421 Y C -0.549 175.381 175.900 0.051 0.000 0.976 421 Y CA -0.126 58.019 58.100 0.075 0.000 1.137 421 Y CB 1.252 39.750 38.460 0.063 0.000 1.172 421 Y HN 0.736 nan 8.280 nan 0.000 0.478 422 Q N 6.817 126.242 119.800 -0.624 0.000 2.368 422 Q HA 0.273 4.613 4.340 -0.000 0.000 0.263 422 Q C 0.737 176.475 176.000 -0.437 0.000 1.009 422 Q CA -0.669 54.935 55.803 -0.332 0.000 0.818 422 Q CB 1.012 29.636 28.738 -0.189 0.000 1.239 422 Q HN 0.988 nan 8.270 nan 0.000 0.464 423 R N 1.497 121.922 120.500 -0.125 0.000 2.062 423 R HA 0.013 4.353 4.340 -0.000 0.000 0.231 423 R C 0.550 176.884 176.300 0.056 0.000 1.136 423 R CA 1.341 57.436 56.100 -0.009 0.000 0.948 423 R CB 0.036 30.358 30.300 0.038 0.000 0.845 423 R HN 0.338 nan 8.270 nan 0.000 0.430 424 S N 0.402 116.168 115.700 0.111 0.000 2.539 424 S HA 0.276 4.745 4.470 -0.000 0.000 0.235 424 S C -1.013 173.682 174.600 0.157 0.000 1.326 424 S CA -0.987 57.333 58.200 0.200 0.000 1.183 424 S CB 0.907 64.251 63.200 0.239 0.000 1.073 424 S HN 0.438 nan 8.310 nan 0.000 0.480 425 C N 4.409 123.717 119.300 0.014 0.000 2.273 425 C HA 0.565 5.025 4.460 -0.000 0.000 0.328 425 C C 0.258 175.001 174.990 -0.412 0.000 1.275 425 C CA -0.510 58.454 59.018 -0.089 0.000 1.704 425 C CB -0.355 27.343 27.740 -0.071 0.000 2.326 425 C HN 0.908 nan 8.230 nan 0.000 0.517 426 D N 5.662 125.936 120.400 -0.211 0.000 2.416 426 D HA 0.050 4.690 4.640 -0.000 0.000 0.240 426 D C 1.316 177.571 176.300 -0.075 0.000 1.250 426 D CA -0.250 53.642 54.000 -0.179 0.000 0.967 426 D CB 0.307 41.220 40.800 0.188 0.000 1.059 426 D HN 0.560 nan 8.370 nan 0.000 0.512 427 L N 3.668 124.808 121.223 -0.139 0.000 2.034 427 L HA -0.161 4.179 4.340 -0.000 0.000 0.217 427 L C 2.017 179.003 176.870 0.194 0.000 1.077 427 L CA 2.308 57.173 54.840 0.042 0.000 0.769 427 L CB -1.340 40.715 42.059 -0.006 0.000 0.890 427 L HN 0.615 nan 8.230 nan 0.000 0.435 428 G N -1.422 107.470 108.800 0.154 0.000 2.454 428 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.214 428 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.214 428 G C 1.548 176.504 174.900 0.094 0.000 1.217 428 G CA 0.634 45.822 45.100 0.146 0.000 0.799 428 G HN 0.299 nan 8.290 nan 0.000 0.538 429 L N 0.758 121.993 121.223 0.021 0.000 2.200 429 L HA 0.383 4.723 4.340 -0.000 0.000 0.200 429 L C 2.860 179.657 176.870 -0.123 0.000 1.072 429 L CA 1.802 56.597 54.840 -0.074 0.000 0.787 429 L CB -0.957 41.018 42.059 -0.141 0.000 0.957 429 L HN 0.217 nan 8.230 nan 0.000 0.459 430 G N -1.628 107.121 108.800 -0.085 0.000 2.484 430 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.215 430 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.215 430 G C 1.711 176.637 174.900 0.044 0.000 1.219 430 G CA 0.977 46.026 45.100 -0.085 0.000 0.791 430 G HN 0.384 nan 8.290 nan 0.000 0.550 431 S N 1.321 117.061 115.700 0.067 0.000 2.387 431 S HA -0.087 4.382 4.470 -0.000 0.000 0.230 431 S C 0.284 174.870 174.600 -0.023 0.000 1.035 431 S CA 1.875 60.118 58.200 0.071 0.000 1.014 431 S CB -0.806 62.499 63.200 0.176 0.000 0.836 431 S HN 0.284 nan 8.310 nan 0.000 0.466 432 P HA -0.013 nan 4.420 nan 0.000 0.217 432 P C 0.919 178.186 177.300 -0.054 0.000 1.150 432 P CA 0.869 63.849 63.100 -0.200 0.000 0.832 432 P CB -0.126 31.507 31.700 -0.112 0.000 0.787 433 F N 0.112 119.982 119.950 -0.134 0.000 2.095 433 F HA -0.200 4.327 4.527 -0.000 0.000 0.298 433 F C 1.985 177.744 175.800 -0.068 0.000 1.104 433 F CA 1.683 59.631 58.000 -0.087 0.000 1.232 433 F CB -1.588 37.381 39.000 -0.052 0.000 0.987 433 F HN -0.076 nan 8.300 nan 0.000 0.475 434 N N 0.375 119.159 118.700 0.140 0.000 2.062 434 N HA -0.131 4.609 4.740 -0.000 0.000 0.191 434 N C 1.878 177.419 175.510 0.050 0.000 1.042 434 N CA 1.491 54.604 53.050 0.105 0.000 0.845 434 N CB -0.574 37.948 38.487 0.058 0.000 1.024 434 N HN 0.092 nan 8.380 nan 0.000 0.424 435 I N 0.939 121.448 120.570 -0.103 0.000 2.161 435 I HA -0.396 3.774 4.170 -0.000 0.000 0.246 435 I C 2.201 178.123 176.117 -0.324 0.000 1.048 435 I CA 1.750 62.863 61.300 -0.311 0.000 1.314 435 I CB -0.396 37.257 38.000 -0.578 0.000 1.014 435 I HN 0.225 nan 8.210 nan 0.000 0.418 436 A N -0.968 121.699 122.820 -0.256 0.000 1.874 436 A HA -0.124 4.196 4.320 -0.000 0.000 0.214 436 A C 2.417 180.005 177.584 0.007 0.000 1.189 436 A CA 1.609 53.511 52.037 -0.225 0.000 0.615 436 A CB -0.753 18.125 19.000 -0.204 0.000 0.830 436 A HN 0.328 nan 8.150 nan 0.000 0.443 437 S N -1.077 114.639 115.700 0.026 0.000 2.377 437 S HA -0.218 4.252 4.470 -0.000 0.000 0.224 437 S C 1.760 176.372 174.600 0.021 0.000 1.042 437 S CA 1.985 60.198 58.200 0.022 0.000 1.086 437 S CB -0.595 62.604 63.200 -0.002 0.000 0.995 437 S HN 0.655 nan 8.310 nan 0.000 0.428 438 Y N 1.244 121.584 120.300 0.068 0.000 2.574 438 Y HA 0.064 4.613 4.550 -0.000 0.000 0.294 438 Y C 2.230 178.179 175.900 0.081 0.000 1.142 438 Y CA 0.373 58.543 58.100 0.117 0.000 1.314 438 Y CB -0.351 38.162 38.460 0.088 0.000 0.991 438 Y HN 0.302 nan 8.280 nan 0.000 0.555 439 A N 0.262 123.154 122.820 0.120 0.000 1.854 439 A HA -0.101 4.219 4.320 -0.000 0.000 0.214 439 A C 2.134 179.887 177.584 0.281 0.000 1.192 439 A CA 1.316 53.399 52.037 0.077 0.000 0.611 439 A CB -0.768 18.065 19.000 -0.280 0.000 0.832 439 A HN 0.402 nan 8.150 nan 0.000 0.442 440 I N -0.739 120.012 120.570 0.302 0.000 2.090 440 I HA -0.221 3.949 4.170 -0.000 0.000 0.236 440 I C 2.387 178.607 176.117 0.172 0.000 1.064 440 I CA 1.145 62.576 61.300 0.218 0.000 1.324 440 I CB -0.359 37.742 38.000 0.167 0.000 1.044 440 I HN 0.340 nan 8.210 nan 0.000 0.399 441 L N 0.715 122.010 121.223 0.121 0.000 2.034 441 L HA -0.304 4.036 4.340 -0.000 0.000 0.217 441 L C 2.489 179.440 176.870 0.135 0.000 1.077 441 L CA 2.290 57.194 54.840 0.107 0.000 0.769 441 L CB -1.388 40.712 42.059 0.067 0.000 0.890 441 L HN 0.260 nan 8.230 nan 0.000 0.435 442 T N -0.642 114.042 114.554 0.217 0.000 2.788 442 T HA -0.205 4.145 4.350 -0.000 0.000 0.268 442 T C 1.921 176.731 174.700 0.184 0.000 1.044 442 T CA 1.931 64.173 62.100 0.237 0.000 1.139 442 T CB -0.171 68.867 68.868 0.283 0.000 0.867 442 T HN 0.354 nan 8.240 nan 0.000 0.454 443 M N 0.028 119.753 119.600 0.207 0.000 2.156 443 M HA 0.026 4.506 4.480 -0.000 0.000 0.264 443 M C 2.433 178.857 176.300 0.205 0.000 1.067 443 M CA 1.517 56.977 55.300 0.267 0.000 1.131 443 M CB -0.489 32.324 32.600 0.354 0.000 1.368 443 M HN 0.249 nan 8.290 nan 0.000 0.416 444 M N 0.362 119.997 119.600 0.058 0.000 2.067 444 M HA -0.207 4.273 4.480 -0.000 0.000 0.260 444 M C 2.159 178.490 176.300 0.051 0.000 1.069 444 M CA 1.689 56.922 55.300 -0.113 0.000 1.117 444 M CB -0.572 31.945 32.600 -0.138 0.000 1.334 444 M HN 0.251 nan 8.290 nan 0.000 0.407 445 L N -0.306 120.945 121.223 0.047 0.000 2.127 445 L HA -0.214 4.126 4.340 -0.000 0.000 0.211 445 L C 2.738 179.651 176.870 0.072 0.000 1.089 445 L CA 1.193 56.045 54.840 0.020 0.000 0.757 445 L CB -0.894 41.115 42.059 -0.083 0.000 0.899 445 L HN 0.339 nan 8.230 nan 0.000 0.434 446 A N -0.939 121.950 122.820 0.115 0.000 1.898 446 A HA -0.202 4.118 4.320 -0.000 0.000 0.214 446 A C 2.265 179.919 177.584 0.116 0.000 1.183 446 A CA 1.140 53.286 52.037 0.182 0.000 0.622 446 A CB -0.429 18.691 19.000 0.199 0.000 0.824 446 A HN 0.411 nan 8.150 nan 0.000 0.444 447 Q N -0.102 119.750 119.800 0.086 0.000 2.030 447 Q HA -0.156 4.184 4.340 -0.000 0.000 0.204 447 Q C 1.952 177.941 176.000 -0.019 0.000 0.986 447 Q CA 2.174 57.998 55.803 0.035 0.000 0.843 447 Q CB -0.222 28.530 28.738 0.023 0.000 0.904 447 Q HN 0.385 nan 8.270 nan 0.000 0.420 448 V N -0.129 119.781 119.914 -0.008 0.000 2.720 448 V HA -0.243 3.877 4.120 -0.000 0.000 0.256 448 V C 1.718 177.779 176.094 -0.056 0.000 1.082 448 V CA 1.221 63.498 62.300 -0.038 0.000 1.101 448 V CB -0.166 31.652 31.823 -0.009 0.000 0.693 448 V HN 0.501 nan 8.190 nan 0.000 0.479 449 C N 0.441 119.712 119.300 -0.049 0.000 2.884 449 C HA 0.526 4.986 4.460 -0.000 0.000 0.287 449 C C 1.754 176.465 174.990 -0.464 0.000 1.310 449 C CA -0.264 58.667 59.018 -0.145 0.000 1.725 449 C CB -1.009 26.779 27.740 0.079 0.000 2.060 449 C HN 0.737 nan 8.230 nan 0.000 0.618 450 G N 0.748 109.367 108.800 -0.302 0.000 2.305 450 G HA2 -0.273 3.686 3.960 -0.000 0.000 0.287 450 G HA3 -0.273 3.686 3.960 -0.000 0.000 0.287 450 G C -0.367 174.258 174.900 -0.458 0.000 1.036 450 G CA 0.305 45.194 45.100 -0.351 0.000 0.887 450 G HN 0.651 nan 8.290 nan 0.000 0.505 451 Y N -1.006 119.303 120.300 0.015 0.000 2.602 451 Y HA 0.622 5.172 4.550 -0.000 0.000 0.342 451 Y C 0.447 176.375 175.900 0.046 0.000 1.029 451 Y CA -1.365 56.749 58.100 0.024 0.000 1.080 451 Y CB 1.282 39.749 38.460 0.012 0.000 1.284 451 Y HN 0.066 nan 8.280 nan 0.000 0.485 452 E N 1.905 122.252 120.200 0.245 0.000 2.191 452 E HA 0.313 4.663 4.350 -0.000 0.000 0.278 452 E C -2.702 173.985 176.600 0.145 0.000 0.972 452 E CA -2.239 54.256 56.400 0.160 0.000 0.804 452 E CB 1.196 30.971 29.700 0.126 0.000 1.110 452 E HN 0.222 nan 8.360 nan 0.000 0.394 453 P HA -0.046 nan 4.420 nan 0.000 0.264 453 P C 0.018 177.364 177.300 0.077 0.000 1.179 453 P CA 0.499 63.665 63.100 0.111 0.000 0.763 453 P CB 0.646 32.405 31.700 0.099 0.000 0.806 454 G N 1.886 110.726 108.800 0.067 0.000 3.175 454 G HA2 0.331 4.291 3.960 -0.000 0.000 0.153 454 G HA3 0.331 4.291 3.960 -0.000 0.000 0.153 454 G C -0.804 174.093 174.900 -0.006 0.000 1.216 454 G CA -0.473 44.651 45.100 0.040 0.000 0.943 454 G HN 0.430 nan 8.290 nan 0.000 0.611 455 E N -0.763 119.425 120.200 -0.019 0.000 2.283 455 E HA 0.496 4.846 4.350 -0.000 0.000 0.271 455 E C -1.276 175.293 176.600 -0.051 0.000 1.031 455 E CA -0.537 55.821 56.400 -0.071 0.000 0.868 455 E CB 2.374 32.021 29.700 -0.089 0.000 1.094 455 E HN 0.244 nan 8.360 nan 0.000 0.401 456 L N 1.385 122.572 121.223 -0.061 0.000 2.377 456 L HA 0.542 4.882 4.340 -0.000 0.000 0.270 456 L C -1.252 175.583 176.870 -0.059 0.000 0.991 456 L CA -0.361 54.455 54.840 -0.041 0.000 0.851 456 L CB 1.145 43.193 42.059 -0.018 0.000 1.218 456 L HN 0.563 nan 8.230 nan 0.000 0.420 457 A N 6.205 128.920 122.820 -0.175 0.000 2.309 457 A HA 0.785 5.105 4.320 -0.000 0.000 0.298 457 A C -0.498 176.767 177.584 -0.532 0.000 1.165 457 A CA -0.437 51.370 52.037 -0.382 0.000 0.821 457 A CB 0.368 19.077 19.000 -0.485 0.000 1.102 457 A HN 0.703 nan 8.150 nan 0.000 0.500 458 I N 2.337 122.576 120.570 -0.551 0.000 2.418 458 I HA 0.343 4.512 4.170 -0.000 0.000 0.287 458 I C -1.316 174.471 176.117 -0.551 0.000 1.008 458 I CA -0.146 60.886 61.300 -0.446 0.000 1.104 458 I CB 1.417 39.335 38.000 -0.136 0.000 1.264 458 I HN 0.559 nan 8.210 nan 0.000 0.438 459 F N 6.562 126.482 119.950 -0.049 0.000 2.427 459 F HA 0.589 5.115 4.527 -0.000 0.000 0.346 459 F C 0.243 175.887 175.800 -0.259 0.000 1.120 459 F CA -0.696 57.277 58.000 -0.046 0.000 1.033 459 F CB 1.345 40.414 39.000 0.115 0.000 1.126 459 F HN 0.142 nan 8.300 nan 0.000 0.462 460 I N 1.851 122.366 120.570 -0.091 0.000 2.530 460 I HA 0.498 4.668 4.170 -0.000 0.000 0.297 460 I C 0.690 176.623 176.117 -0.306 0.000 1.011 460 I CA -0.684 60.447 61.300 -0.282 0.000 1.107 460 I CB 1.806 39.724 38.000 -0.137 0.000 1.285 460 I HN 0.760 nan 8.210 nan 0.000 0.436 461 G N 2.621 111.197 108.800 -0.374 0.000 3.056 461 G HA2 -0.061 3.899 3.960 -0.000 0.000 0.175 461 G HA3 -0.061 3.899 3.960 -0.000 0.000 0.175 461 G C 0.152 175.073 174.900 0.035 0.000 1.894 461 G CA 0.043 45.024 45.100 -0.198 0.000 0.910 461 G HN 0.644 nan 8.290 nan 0.000 0.462 462 D N 2.061 122.652 120.400 0.317 0.000 2.422 462 D HA 0.327 4.967 4.640 -0.000 0.000 0.263 462 D C 0.399 176.823 176.300 0.208 0.000 1.334 462 D CA 0.026 54.220 54.000 0.324 0.000 1.105 462 D CB -0.189 40.789 40.800 0.297 0.000 1.107 462 D HN 0.345 nan 8.370 nan 0.000 0.522 463 A N 5.324 128.211 122.820 0.111 0.000 2.354 463 A HA 0.388 4.708 4.320 -0.000 0.000 0.281 463 A C 0.009 177.631 177.584 0.064 0.000 1.174 463 A CA -0.298 51.749 52.037 0.016 0.000 0.828 463 A CB 0.298 19.300 19.000 0.003 0.000 1.099 463 A HN 0.721 nan 8.150 nan 0.000 0.516 464 H N 0.618 119.683 119.070 -0.008 0.000 3.046 464 H HA 0.626 5.182 4.556 -0.000 0.000 0.363 464 H C -1.962 173.326 175.328 -0.067 0.000 1.203 464 H CA -1.001 55.014 56.048 -0.054 0.000 1.169 464 H CB 1.062 30.741 29.762 -0.137 0.000 1.851 464 H HN 0.424 nan 8.280 nan 0.000 0.546 465 I N 2.548 123.182 120.570 0.105 0.000 2.474 465 I HA 0.188 4.358 4.170 -0.000 0.000 0.294 465 I C -0.614 175.565 176.117 0.103 0.000 1.005 465 I CA -1.003 60.378 61.300 0.134 0.000 1.113 465 I CB 1.440 39.549 38.000 0.181 0.000 1.289 465 I HN 0.438 nan 8.210 nan 0.000 0.436 466 Y N 3.820 124.237 120.300 0.194 0.000 2.511 466 Y HA -0.039 4.511 4.550 -0.000 0.000 0.332 466 Y C 1.682 177.571 175.900 -0.019 0.000 1.177 466 Y CA -0.059 58.018 58.100 -0.038 0.000 1.422 466 Y CB 0.547 38.805 38.460 -0.336 0.000 1.271 466 Y HN 0.621 nan 8.280 nan 0.000 0.550 467 E N 0.690 120.997 120.200 0.179 0.000 2.204 467 E HA -0.243 4.107 4.350 -0.000 0.000 0.194 467 E C 0.547 177.249 176.600 0.171 0.000 0.989 467 E CA 1.410 57.979 56.400 0.282 0.000 0.824 467 E CB -0.504 29.410 29.700 0.358 0.000 0.756 467 E HN 0.876 nan 8.360 nan 0.000 0.477 468 N N -0.399 118.317 118.700 0.027 0.000 2.551 468 N HA -0.097 4.642 4.740 -0.000 0.000 0.199 468 N C 0.702 176.283 175.510 0.118 0.000 1.277 468 N CA 0.436 53.490 53.050 0.006 0.000 0.870 468 N CB -0.115 38.328 38.487 -0.074 0.000 1.028 468 N HN 0.348 nan 8.380 nan 0.000 0.452 469 H N -1.640 117.516 119.070 0.142 0.000 3.360 469 H HA 0.174 4.730 4.556 -0.000 0.000 0.262 469 H C 0.980 176.364 175.328 0.094 0.000 1.149 469 H CA -0.569 55.549 56.048 0.117 0.000 1.181 469 H CB 0.581 30.436 29.762 0.154 0.000 1.564 469 H HN 0.053 nan 8.280 nan 0.000 0.565 470 L N 1.274 122.623 121.223 0.210 0.000 2.043 470 L HA -0.194 4.145 4.340 -0.000 0.000 0.212 470 L C 2.633 179.547 176.870 0.074 0.000 1.075 470 L CA 2.320 57.231 54.840 0.118 0.000 0.752 470 L CB -0.720 41.390 42.059 0.084 0.000 0.891 470 L HN 0.445 nan 8.230 nan 0.000 0.432 471 T N -4.712 109.890 114.554 0.080 0.000 2.770 471 T HA -0.160 4.190 4.350 -0.000 0.000 0.258 471 T C 1.811 176.540 174.700 0.048 0.000 1.039 471 T CA 0.758 62.889 62.100 0.052 0.000 1.143 471 T CB -0.476 68.421 68.868 0.048 0.000 0.866 471 T HN 0.174 nan 8.240 nan 0.000 0.428 472 Q N 1.375 121.213 119.800 0.064 0.000 2.133 472 Q HA -0.022 4.318 4.340 -0.000 0.000 0.208 472 Q C 2.321 178.340 176.000 0.032 0.000 0.991 472 Q CA 1.660 57.491 55.803 0.046 0.000 0.867 472 Q CB -0.830 27.934 28.738 0.044 0.000 0.911 472 Q HN 0.513 nan 8.270 nan 0.000 0.417 473 L N -0.364 120.884 121.223 0.041 0.000 2.109 473 L HA -0.108 4.232 4.340 -0.000 0.000 0.207 473 L C 2.244 179.108 176.870 -0.011 0.000 1.086 473 L CA 0.889 55.740 54.840 0.019 0.000 0.760 473 L CB -0.291 41.788 42.059 0.034 0.000 0.910 473 L HN 0.113 nan 8.230 nan 0.000 0.437 474 K N 0.563 120.961 120.400 -0.004 0.000 2.097 474 K HA -0.234 4.086 4.320 -0.000 0.000 0.206 474 K C 1.953 178.542 176.600 -0.018 0.000 1.049 474 K CA 1.311 57.588 56.287 -0.017 0.000 0.933 474 K CB -0.022 32.472 32.500 -0.010 0.000 0.717 474 K HN 0.104 nan 8.250 nan 0.000 0.442 475 E N 0.800 120.997 120.200 -0.005 0.000 2.007 475 E HA -0.249 4.101 4.350 -0.000 0.000 0.194 475 E C 1.960 178.541 176.600 -0.032 0.000 0.999 475 E CA 1.905 58.303 56.400 -0.004 0.000 0.811 475 E CB -0.498 29.211 29.700 0.015 0.000 0.762 475 E HN 0.399 nan 8.360 nan 0.000 0.450 476 Q N -0.431 119.347 119.800 -0.038 0.000 2.242 476 Q HA -0.180 4.160 4.340 -0.000 0.000 0.211 476 Q C 2.131 178.059 176.000 -0.120 0.000 0.992 476 Q CA 1.723 57.478 55.803 -0.080 0.000 0.889 476 Q CB -0.235 28.488 28.738 -0.025 0.000 0.913 476 Q HN 0.403 nan 8.270 nan 0.000 0.422 477 L N 0.032 121.203 121.223 -0.087 0.000 2.554 477 L HA -0.056 4.283 4.340 -0.000 0.000 0.226 477 L C 2.359 179.180 176.870 -0.081 0.000 1.137 477 L CA 0.635 55.418 54.840 -0.096 0.000 0.863 477 L CB -0.088 41.920 42.059 -0.085 0.000 0.985 477 L HN 0.307 nan 8.230 nan 0.000 0.451 478 S N -0.567 115.094 115.700 -0.064 0.000 2.371 478 S HA -0.038 4.432 4.470 -0.000 0.000 0.221 478 S C 1.088 175.661 174.600 -0.044 0.000 1.036 478 S CA -0.237 57.944 58.200 -0.032 0.000 0.965 478 S CB -0.241 62.959 63.200 -0.001 0.000 0.845 478 S HN 0.280 nan 8.310 nan 0.000 0.475 479 R N 2.228 122.656 120.500 -0.120 0.000 2.494 479 R HA 0.115 4.455 4.340 -0.000 0.000 0.291 479 R C -0.521 175.626 176.300 -0.256 0.000 0.953 479 R CA 0.406 56.334 56.100 -0.287 0.000 1.098 479 R CB -0.446 29.302 30.300 -0.919 0.000 0.911 479 R HN 0.218 nan 8.270 nan 0.000 0.407 480 T N 6.136 120.671 114.554 -0.033 0.000 2.817 480 T HA 0.212 4.562 4.350 -0.000 0.000 0.293 480 T C -1.948 172.709 174.700 -0.071 0.000 0.964 480 T CA -1.333 60.757 62.100 -0.018 0.000 1.085 480 T CB 1.043 69.962 68.868 0.084 0.000 0.921 480 T HN 0.421 nan 8.240 nan 0.000 0.502 481 P HA 0.189 nan 4.420 nan 0.000 0.268 481 P C -0.352 176.832 177.300 -0.193 0.000 1.205 481 P CA -0.249 62.624 63.100 -0.378 0.000 0.771 481 P CB 0.818 31.979 31.700 -0.899 0.000 0.858 482 R N 3.070 123.539 120.500 -0.050 0.000 2.643 482 R HA 0.459 4.799 4.340 -0.000 0.000 0.272 482 R C -2.067 174.270 176.300 0.062 0.000 0.995 482 R CA -2.382 53.747 56.100 0.047 0.000 1.032 482 R CB 0.324 30.704 30.300 0.134 0.000 1.126 482 R HN 0.388 nan 8.270 nan 0.000 0.505 483 P HA -0.148 nan 4.420 nan 0.000 0.263 483 P C -0.562 176.776 177.300 0.065 0.000 1.175 483 P CA 0.558 63.639 63.100 -0.031 0.000 0.761 483 P CB 0.289 31.983 31.700 -0.009 0.000 0.794 484 F N 4.855 124.800 119.950 -0.009 0.000 2.595 484 F HA 0.072 4.599 4.527 -0.000 0.000 0.359 484 F C -0.966 174.856 175.800 0.036 0.000 1.147 484 F CA -1.462 56.555 58.000 0.029 0.000 1.341 484 F CB -0.997 37.963 39.000 -0.067 0.000 1.104 484 F HN 0.324 nan 8.300 nan 0.000 0.603 485 P HA 0.023 nan 4.420 nan 0.000 0.282 485 P C -0.988 176.347 177.300 0.058 0.000 1.286 485 P CA -0.243 62.946 63.100 0.148 0.000 0.777 485 P CB 0.660 32.411 31.700 0.086 0.000 1.184 486 Q N -0.734 119.047 119.800 -0.030 0.000 2.345 486 Q HA 0.633 4.973 4.340 -0.000 0.000 0.268 486 Q C -0.821 175.049 176.000 -0.217 0.000 1.054 486 Q CA -0.806 54.948 55.803 -0.082 0.000 0.835 486 Q CB 2.197 30.893 28.738 -0.070 0.000 1.339 486 Q HN 0.393 nan 8.270 nan 0.000 0.447 487 L N 1.515 122.553 121.223 -0.309 0.000 2.410 487 L HA 0.571 4.911 4.340 -0.000 0.000 0.270 487 L C -1.445 175.107 176.870 -0.530 0.000 0.983 487 L CA -0.383 54.119 54.840 -0.562 0.000 0.822 487 L CB 1.292 42.760 42.059 -0.986 0.000 1.285 487 L HN 0.354 nan 8.230 nan 0.000 0.409 488 K N 4.084 124.128 120.400 -0.594 0.000 2.532 488 K HA 0.464 4.783 4.320 -0.000 0.000 0.265 488 K C -1.395 174.833 176.600 -0.620 0.000 0.948 488 K CA -0.537 55.437 56.287 -0.522 0.000 0.842 488 K CB 1.993 34.352 32.500 -0.234 0.000 1.392 488 K HN 0.258 nan 8.250 nan 0.000 0.436 489 F N 1.431 121.321 119.950 -0.101 0.000 2.377 489 F HA 0.361 4.888 4.527 0.000 0.000 0.328 489 F C 1.878 177.653 175.800 -0.042 0.000 1.094 489 F CA -0.462 57.510 58.000 -0.046 0.000 1.093 489 F CB 0.952 40.023 39.000 0.119 0.000 1.214 489 F HN 0.343 nan 8.300 nan 0.000 0.518 490 K N 0.679 121.161 120.400 0.137 0.000 2.098 490 K HA 0.056 4.376 4.320 -0.000 0.000 0.203 490 K C 0.453 177.085 176.600 0.053 0.000 1.051 490 K CA 0.696 57.006 56.287 0.038 0.000 0.957 490 K CB 0.223 32.711 32.500 -0.021 0.000 0.738 490 K HN 0.574 nan 8.250 nan 0.000 0.447 491 R N 1.271 121.817 120.500 0.076 0.000 2.803 491 R HA 0.303 4.643 4.340 -0.000 0.000 0.276 491 R C -1.013 175.294 176.300 0.012 0.000 0.978 491 R CA -0.847 55.266 56.100 0.023 0.000 0.939 491 R CB 1.133 31.420 30.300 -0.021 0.000 1.179 491 R HN -0.273 nan 8.270 nan 0.000 0.472 492 K N 2.682 123.068 120.400 -0.023 0.000 2.127 492 K HA 0.090 4.410 4.320 -0.000 0.000 0.261 492 K C 0.215 176.726 176.600 -0.148 0.000 1.129 492 K CA -0.531 55.721 56.287 -0.059 0.000 0.993 492 K CB -0.024 32.455 32.500 -0.035 0.000 1.410 492 K HN 0.552 nan 8.250 nan 0.000 0.380 493 V N 1.332 121.072 119.914 -0.289 0.000 3.096 493 V HA 0.092 4.212 4.120 -0.000 0.000 0.306 493 V C 0.863 176.786 176.094 -0.286 0.000 1.088 493 V CA 0.271 62.338 62.300 -0.388 0.000 1.129 493 V CB 1.192 32.530 31.823 -0.807 0.000 1.014 493 V HN 0.878 nan 8.190 nan 0.000 0.486 494 E N 1.202 121.265 120.200 -0.229 0.000 2.400 494 E HA 0.190 4.540 4.350 -0.000 0.000 0.195 494 E C 0.509 177.022 176.600 -0.145 0.000 1.012 494 E CA 0.174 56.483 56.400 -0.152 0.000 0.875 494 E CB 0.182 29.817 29.700 -0.110 0.000 0.859 494 E HN 0.719 nan 8.360 nan 0.000 0.498 495 N N 0.442 119.027 118.700 -0.191 0.000 2.452 495 N HA 0.055 4.794 4.740 -0.000 0.000 0.277 495 N C -0.127 175.292 175.510 -0.151 0.000 1.078 495 N CA -0.423 52.549 53.050 -0.130 0.000 0.947 495 N CB 1.839 40.271 38.487 -0.093 0.000 1.655 495 N HN 0.144 nan 8.380 nan 0.000 0.490 496 I N 2.642 123.183 120.570 -0.047 0.000 2.248 496 I HA -0.237 3.933 4.170 -0.000 0.000 0.248 496 I C 1.782 177.971 176.117 0.121 0.000 1.107 496 I CA 1.648 62.992 61.300 0.072 0.000 1.373 496 I CB 0.302 38.380 38.000 0.131 0.000 1.055 496 I HN 0.591 nan 8.210 nan 0.000 0.418 497 E N -0.141 120.095 120.200 0.059 0.000 2.347 497 E HA -0.226 4.124 4.350 -0.000 0.000 0.196 497 E C 1.180 177.821 176.600 0.068 0.000 1.008 497 E CA 0.831 57.281 56.400 0.084 0.000 0.852 497 E CB -0.499 29.238 29.700 0.061 0.000 0.783 497 E HN 0.531 nan 8.360 nan 0.000 0.505 498 D N 0.822 121.198 120.400 -0.040 0.000 2.265 498 D HA -0.056 4.584 4.640 -0.000 0.000 0.208 498 D C 0.236 176.509 176.300 -0.044 0.000 0.977 498 D CA 0.495 54.435 54.000 -0.100 0.000 0.871 498 D CB -0.359 40.298 40.800 -0.238 0.000 0.925 498 D HN 0.128 nan 8.370 nan 0.000 0.485 499 F N 1.039 121.039 119.950 0.083 0.000 2.545 499 F HA 0.079 4.606 4.527 -0.000 0.000 0.348 499 F C 1.329 177.304 175.800 0.291 0.000 1.163 499 F CA 0.199 58.301 58.000 0.170 0.000 1.331 499 F CB 0.604 39.754 39.000 0.250 0.000 1.138 499 F HN -0.378 nan 8.300 nan 0.000 0.602 500 K N 1.984 122.708 120.400 0.540 0.000 2.532 500 K HA -0.027 4.293 4.320 -0.000 0.000 0.265 500 K C 0.341 177.058 176.600 0.195 0.000 0.948 500 K CA -0.741 55.821 56.287 0.458 0.000 0.842 500 K CB 1.281 33.927 32.500 0.242 0.000 1.392 500 K HN 0.854 nan 8.250 nan 0.000 0.436 501 W N 2.354 123.600 121.300 -0.090 0.000 2.275 501 W HA -0.325 4.334 4.660 -0.000 0.000 0.321 501 W C 0.808 177.145 176.519 -0.303 0.000 1.269 501 W CA 2.351 59.419 57.345 -0.461 0.000 1.274 501 W CB 0.302 29.685 29.460 -0.129 0.000 1.141 501 W HN 0.758 nan 8.180 nan 0.000 0.493 502 E N 0.547 120.624 120.200 -0.205 0.000 2.171 502 E HA -0.231 4.119 4.350 -0.000 0.000 0.197 502 E C 1.299 177.743 176.600 -0.260 0.000 0.997 502 E CA 1.844 58.080 56.400 -0.274 0.000 0.810 502 E CB -0.815 28.829 29.700 -0.094 0.000 0.738 502 E HN 0.244 nan 8.360 nan 0.000 0.467 503 D N -0.320 119.996 120.400 -0.139 0.000 2.384 503 D HA -0.052 4.588 4.640 -0.000 0.000 0.222 503 D C 0.067 176.300 176.300 -0.112 0.000 0.976 503 D CA 0.641 54.638 54.000 -0.004 0.000 0.915 503 D CB 0.026 40.993 40.800 0.279 0.000 0.896 503 D HN 0.240 nan 8.370 nan 0.000 0.523 504 I N 1.025 121.336 120.570 -0.432 0.000 2.330 504 I HA 0.123 4.293 4.170 -0.000 0.000 0.289 504 I C 0.260 176.007 176.117 -0.617 0.000 1.001 504 I CA -0.534 60.404 61.300 -0.604 0.000 1.193 504 I CB 1.597 39.096 38.000 -0.836 0.000 1.345 504 I HN -0.281 nan 8.210 nan 0.000 0.461 505 E N 7.188 127.102 120.200 -0.477 0.000 2.134 505 E HA 0.360 4.710 4.350 -0.000 0.000 0.278 505 E C -1.150 175.214 176.600 -0.392 0.000 0.959 505 E CA -0.581 55.590 56.400 -0.383 0.000 0.783 505 E CB 1.331 30.875 29.700 -0.261 0.000 1.095 505 E HN 0.520 nan 8.360 nan 0.000 0.399 506 L N 6.831 127.848 121.223 -0.343 0.000 2.297 506 L HA 0.347 4.687 4.340 -0.000 0.000 0.277 506 L C -1.053 175.703 176.870 -0.189 0.000 1.040 506 L CA -0.744 53.920 54.840 -0.292 0.000 0.867 506 L CB 0.479 42.386 42.059 -0.253 0.000 1.244 506 L HN 0.589 nan 8.230 nan 0.000 0.433 507 I N 3.328 123.796 120.570 -0.170 0.000 2.365 507 I HA 0.375 4.545 4.170 -0.000 0.000 0.291 507 I C 1.210 177.263 176.117 -0.106 0.000 1.004 507 I CA 0.312 61.545 61.300 -0.111 0.000 1.311 507 I CB 1.495 39.449 38.000 -0.076 0.000 1.401 507 I HN 0.704 nan 8.210 nan 0.000 0.491 508 G N 4.422 113.123 108.800 -0.165 0.000 2.143 508 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.248 508 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.248 508 G C 0.161 174.739 174.900 -0.536 0.000 0.991 508 G CA -0.147 44.789 45.100 -0.274 0.000 0.689 508 G HN 0.653 nan 8.290 nan 0.000 0.522 509 Y N 0.718 120.632 120.300 -0.642 0.000 2.539 509 Y HA 0.539 5.089 4.550 -0.000 0.000 0.352 509 Y C -0.304 175.255 175.900 -0.569 0.000 1.004 509 Y CA -1.202 56.649 58.100 -0.415 0.000 1.278 509 Y CB 0.347 38.695 38.460 -0.188 0.000 1.136 509 Y HN 0.168 nan 8.280 nan 0.000 0.528 510 Y N 7.819 128.019 120.300 -0.167 0.000 2.526 510 Y HA 0.373 4.923 4.550 -0.000 0.000 0.328 510 Y C -2.453 173.262 175.900 -0.308 0.000 0.995 510 Y CA -2.977 54.976 58.100 -0.246 0.000 1.304 510 Y CB 0.572 38.979 38.460 -0.089 0.000 1.096 510 Y HN 0.506 nan 8.280 nan 0.000 0.499 511 P HA 0.235 nan 4.420 nan 0.000 0.283 511 P C -0.464 176.851 177.300 0.024 0.000 1.278 511 P CA -0.538 62.456 63.100 -0.177 0.000 0.834 511 P CB 1.503 32.982 31.700 -0.368 0.000 1.150 512 Y N -0.282 119.982 120.300 -0.059 0.000 2.153 512 Y HA 0.117 4.667 4.550 -0.000 0.000 0.383 512 Y C -1.404 174.480 175.900 -0.027 0.000 1.281 512 Y CA -0.987 57.095 58.100 -0.029 0.000 1.804 512 Y CB -1.970 36.485 38.460 -0.009 0.000 1.546 512 Y HN 0.283 nan 8.280 nan 0.000 0.694 513 P HA 0.109 nan 4.420 nan 0.000 0.277 513 P C -0.547 176.811 177.300 0.095 0.000 1.240 513 P CA -0.480 62.677 63.100 0.095 0.000 0.798 513 P CB 0.490 32.237 31.700 0.079 0.000 0.979 514 T N 0.379 114.976 114.554 0.072 0.000 2.855 514 T HA 0.200 4.550 4.350 -0.000 0.000 0.322 514 T C 0.034 174.769 174.700 0.060 0.000 1.088 514 T CA 0.072 62.214 62.100 0.069 0.000 1.104 514 T CB -0.433 68.471 68.868 0.061 0.000 0.996 514 T HN 0.164 nan 8.240 nan 0.000 0.549 515 I N 2.589 123.190 120.570 0.052 0.000 2.439 515 I HA 0.293 4.463 4.170 -0.000 0.000 0.283 515 I C 0.283 176.414 176.117 0.024 0.000 1.023 515 I CA -1.240 60.083 61.300 0.038 0.000 1.100 515 I CB 1.729 39.749 38.000 0.033 0.000 1.238 515 I HN 0.502 nan 8.210 nan 0.000 0.445 516 K N 7.359 127.773 120.400 0.024 0.000 2.466 516 K HA 0.224 4.544 4.320 -0.000 0.000 0.278 516 K C -0.604 175.997 176.600 0.001 0.000 1.048 516 K CA 0.756 57.053 56.287 0.016 0.000 1.088 516 K CB 0.457 32.970 32.500 0.022 0.000 0.884 516 K HN 0.634 nan 8.250 nan 0.000 0.478 517 M N 3.572 123.154 119.600 -0.029 0.000 2.122 517 M HA 0.137 4.617 4.480 -0.000 0.000 0.269 517 M C -0.972 175.304 176.300 -0.040 0.000 0.954 517 M CA -0.513 54.730 55.300 -0.094 0.000 0.998 517 M CB 1.808 34.222 32.600 -0.310 0.000 1.755 517 M HN 0.388 nan 8.290 nan 0.000 0.459 518 D N 4.438 124.885 120.400 0.078 0.000 2.345 518 D HA 0.169 4.809 4.640 -0.000 0.000 0.247 518 D C -0.213 176.132 176.300 0.075 0.000 1.108 518 D CA 0.004 54.033 54.000 0.049 0.000 0.894 518 D CB 1.759 42.575 40.800 0.026 0.000 1.203 518 D HN 0.562 nan 8.370 nan 0.000 0.430 519 M N 2.089 121.657 119.600 -0.055 0.000 2.135 519 M HA 0.261 4.741 4.480 -0.000 0.000 0.345 519 M C -0.466 175.705 176.300 -0.214 0.000 1.340 519 M CA -0.457 54.761 55.300 -0.138 0.000 1.162 519 M CB 0.538 33.031 32.600 -0.180 0.000 1.570 519 M HN 0.343 nan 8.290 nan 0.000 0.454 520 A N 5.514 128.110 122.820 -0.373 0.000 2.566 520 A HA 0.346 4.666 4.320 -0.000 0.000 0.245 520 A C 0.131 177.538 177.584 -0.294 0.000 1.056 520 A CA -0.304 51.496 52.037 -0.395 0.000 0.757 520 A CB -0.349 18.240 19.000 -0.685 0.000 0.979 520 A HN 0.782 nan 8.150 nan 0.000 0.508 521 V N 0.000 119.795 119.914 -0.198 0.000 2.409 521 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 521 V CA 0.000 62.191 62.300 -0.182 0.000 1.235 521 V CB 0.000 31.743 31.823 -0.133 0.000 1.184 521 V HN 0.000 nan 8.190 nan 0.000 0.556