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 1byc_1_A DATA FIRST_RESID 5 DATA SEQUENCE SNMLLNYVPV YVMLPLGVVN VDNVFEDPDG LKEQLLQLRA AGVDGVMVDV DATA SEQUENCE WWGIIELKGP KQYDWRAYRS LFQLVQECGL TLQAIMSFHQ CGGNVGDIVN DATA SEQUENCE IPIPQWVLDI GESNHDIFYT NRSGTRNKEY LTVGVDNEPI FHGRTAIEIY DATA SEQUENCE SDYMKSFREN MSDFLESGLI IDIEVGLGPA GELRYPSYPQ SQGWEFPRIG DATA SEQUENCE EFQCYDKYLK ADFKAAVARA GHPEWELPDD AGKYNDVPES TGFFKSNGTY DATA SEQUENCE VTEKGKFFLT WYSNKLLNHG DQILDEANKA FLGCKVKLAI KVSGIHWWYK DATA SEQUENCE VENHAAELTA GYYNLNDRDG YRPIARMLSR HHAILNFTCL EMRDSEQPSD DATA SEQUENCE AKSGPQELVQ QVLSGGWRED IRVAGENALP RYDATAYNQI ILNAKPQGVN DATA SEQUENCE NNGPPKLSMF GVTYLRLSDD LLQKSNFNIF KKFVLKMHAD QDYCANPQKY DATA SEQUENCE NHAITPLKPS APKIPIEVLL EATKPTLPFP WLPETDMKVD G 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 5 S HA 0.000 nan 4.470 nan 0.000 0.327 5 S C 0.000 174.586 174.600 -0.023 0.000 1.055 5 S CA 0.000 58.186 58.200 -0.023 0.000 1.107 5 S CB 0.000 63.187 63.200 -0.021 0.000 0.593 6 N N 1.589 120.275 118.700 -0.024 0.000 2.453 6 N HA 0.145 4.885 4.740 -0.000 0.000 0.253 6 N C 1.286 176.784 175.510 -0.021 0.000 1.252 6 N CA -0.588 52.448 53.050 -0.024 0.000 0.917 6 N CB 0.301 38.771 38.487 -0.028 0.000 1.117 6 N HN 0.574 nan 8.380 nan 0.000 0.442 7 M N 1.851 121.437 119.600 -0.023 0.000 2.267 7 M HA -0.156 4.324 4.480 -0.000 0.000 0.263 7 M C 1.715 178.010 176.300 -0.010 0.000 1.063 7 M CA 1.208 56.495 55.300 -0.021 0.000 1.090 7 M CB -0.691 31.895 32.600 -0.023 0.000 1.392 7 M HN 0.742 nan 8.290 nan 0.000 0.422 8 L N -0.057 121.158 121.223 -0.013 0.000 2.261 8 L HA -0.209 4.131 4.340 -0.000 0.000 0.216 8 L C 1.992 178.877 176.870 0.026 0.000 1.114 8 L CA 0.726 55.559 54.840 -0.012 0.000 0.777 8 L CB -0.262 41.765 42.059 -0.053 0.000 0.910 8 L HN 0.308 nan 8.230 nan 0.000 0.440 9 L N -0.626 120.611 121.223 0.023 0.000 2.549 9 L HA -0.140 4.200 4.340 -0.000 0.000 0.229 9 L C 1.683 178.581 176.870 0.047 0.000 1.158 9 L CA 0.461 55.330 54.840 0.049 0.000 0.842 9 L CB -0.412 41.659 42.059 0.020 0.000 0.952 9 L HN 0.333 nan 8.230 nan 0.000 0.452 10 N N -1.233 117.480 118.700 0.022 0.000 2.280 10 N HA -0.044 4.696 4.740 -0.000 0.000 0.192 10 N C 0.169 175.673 175.510 -0.010 0.000 1.109 10 N CA -0.016 53.030 53.050 -0.007 0.000 0.855 10 N CB 0.424 38.889 38.487 -0.036 0.000 0.974 10 N HN 0.205 nan 8.380 nan 0.000 0.482 11 Y N 1.759 121.937 120.300 -0.203 0.000 2.511 11 Y HA 0.070 4.620 4.550 -0.001 0.000 0.332 11 Y C -0.128 175.520 175.900 -0.420 0.000 1.177 11 Y CA 0.140 58.013 58.100 -0.379 0.000 1.422 11 Y CB 0.597 38.662 38.460 -0.658 0.000 1.271 11 Y HN -0.305 nan 8.280 nan 0.000 0.550 12 V N 9.005 128.696 119.914 -0.371 0.000 2.444 12 V HA 0.346 4.466 4.120 -0.000 0.000 0.294 12 V C -2.168 173.669 176.094 -0.429 0.000 1.022 12 V CA -2.075 60.053 62.300 -0.286 0.000 0.850 12 V CB 1.456 33.187 31.823 -0.153 0.000 0.992 12 V HN 0.703 nan 8.190 nan 0.000 0.426 13 P HA 0.256 nan 4.420 nan 0.000 0.272 13 P C -0.879 176.182 177.300 -0.399 0.000 1.223 13 P CA -0.082 62.810 63.100 -0.346 0.000 0.784 13 P CB 1.233 32.778 31.700 -0.259 0.000 0.923 14 V N 2.911 122.508 119.914 -0.528 0.000 2.487 14 V HA 0.359 4.479 4.120 -0.000 0.000 0.298 14 V C -0.507 175.275 176.094 -0.519 0.000 1.028 14 V CA -0.426 61.614 62.300 -0.434 0.000 0.860 14 V CB 0.898 32.401 31.823 -0.534 0.000 0.991 14 V HN 0.407 nan 8.190 nan 0.000 0.427 15 Y N 2.597 122.979 120.300 0.136 0.000 2.549 15 Y HA 0.782 5.331 4.550 -0.001 0.000 0.339 15 Y C -0.021 176.035 175.900 0.260 0.000 1.053 15 Y CA -1.160 57.042 58.100 0.170 0.000 1.105 15 Y CB 2.041 40.582 38.460 0.135 0.000 1.258 15 Y HN 0.333 nan 8.280 nan 0.000 0.478 16 V N 3.183 123.329 119.914 0.387 0.000 2.588 16 V HA 0.355 4.474 4.120 -0.000 0.000 0.304 16 V C -0.256 176.004 176.094 0.277 0.000 1.042 16 V CA -1.090 61.434 62.300 0.374 0.000 0.877 16 V CB 1.665 33.691 31.823 0.338 0.000 0.996 16 V HN 0.745 nan 8.190 nan 0.000 0.425 17 M N 4.580 124.324 119.600 0.239 0.000 2.233 17 M HA 0.401 4.880 4.480 -0.000 0.000 0.350 17 M C -0.297 176.099 176.300 0.160 0.000 1.176 17 M CA 0.006 55.406 55.300 0.166 0.000 1.150 17 M CB 0.694 33.365 32.600 0.118 0.000 1.530 17 M HN 0.429 nan 8.290 nan 0.000 0.459 18 L N 3.300 124.609 121.223 0.144 0.000 2.456 18 L HA 0.369 4.708 4.340 -0.000 0.000 0.257 18 L C -1.947 175.010 176.870 0.144 0.000 1.162 18 L CA -1.987 52.938 54.840 0.141 0.000 0.808 18 L CB 0.207 42.348 42.059 0.136 0.000 1.136 18 L HN 0.365 nan 8.230 nan 0.000 0.466 19 P HA 0.102 nan 4.420 nan 0.000 0.269 19 P C -0.673 176.731 177.300 0.173 0.000 1.215 19 P CA -0.200 62.983 63.100 0.137 0.000 0.780 19 P CB 0.369 32.139 31.700 0.116 0.000 0.898 20 L N 1.286 122.618 121.223 0.180 0.000 2.456 20 L HA 0.292 4.632 4.340 -0.000 0.000 0.272 20 L C 1.752 178.741 176.870 0.198 0.000 1.189 20 L CA 0.648 55.636 54.840 0.247 0.000 0.846 20 L CB -0.710 41.475 42.059 0.210 0.000 1.111 20 L HN 0.794 nan 8.230 nan 0.000 0.475 21 G N 1.723 110.671 108.800 0.248 0.000 2.148 21 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.254 21 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.254 21 G C 0.727 175.705 174.900 0.130 0.000 0.981 21 G CA 0.414 45.589 45.100 0.125 0.000 0.670 21 G HN 0.592 nan 8.290 nan 0.000 0.528 22 V N -0.551 119.458 119.914 0.159 0.000 2.828 22 V HA 0.138 4.258 4.120 -0.000 0.000 0.260 22 V C 1.167 177.340 176.094 0.132 0.000 1.101 22 V CA 2.084 64.476 62.300 0.152 0.000 1.123 22 V CB 0.047 31.951 31.823 0.134 0.000 0.704 22 V HN 0.525 nan 8.190 nan 0.000 0.493 23 V N 2.886 122.828 119.914 0.047 0.000 2.407 23 V HA 0.395 4.514 4.120 -0.000 0.000 0.291 23 V C -0.048 176.079 176.094 0.055 0.000 1.018 23 V CA -0.701 61.586 62.300 -0.022 0.000 0.842 23 V CB 1.513 33.121 31.823 -0.358 0.000 0.996 23 V HN 0.740 nan 8.190 nan 0.000 0.426 24 N N 4.198 122.929 118.700 0.052 0.000 2.364 24 N HA 0.172 4.912 4.740 -0.000 0.000 0.264 24 N C 1.176 176.697 175.510 0.017 0.000 1.263 24 N CA -0.082 52.984 53.050 0.026 0.000 0.959 24 N CB 0.588 39.087 38.487 0.019 0.000 1.204 24 N HN 0.334 nan 8.380 nan 0.000 0.550 25 V N -3.622 116.278 119.914 -0.023 0.000 2.688 25 V HA -0.153 3.966 4.120 -0.000 0.000 0.256 25 V C 0.727 176.823 176.094 0.004 0.000 1.084 25 V CA 1.784 64.067 62.300 -0.029 0.000 1.103 25 V CB -0.766 31.021 31.823 -0.060 0.000 0.688 25 V HN 0.576 nan 8.190 nan 0.000 0.480 26 D N 0.486 120.894 120.400 0.012 0.000 2.349 26 D HA 0.026 4.666 4.640 -0.000 0.000 0.224 26 D C 0.939 177.263 176.300 0.040 0.000 1.029 26 D CA 0.652 54.665 54.000 0.021 0.000 0.879 26 D CB -0.430 40.380 40.800 0.015 0.000 0.906 26 D HN 0.783 nan 8.370 nan 0.000 0.528 27 N N -0.071 118.663 118.700 0.056 0.000 2.783 27 N HA -0.168 4.571 4.740 -0.000 0.000 0.247 27 N C -1.320 174.228 175.510 0.063 0.000 1.089 27 N CA -0.250 52.846 53.050 0.077 0.000 0.690 27 N CB -0.587 37.951 38.487 0.086 0.000 0.991 27 N HN -0.107 nan 8.380 nan 0.000 0.552 28 V N 2.175 122.124 119.914 0.059 0.000 2.540 28 V HA 0.404 4.524 4.120 -0.000 0.000 0.302 28 V C -0.133 176.035 176.094 0.124 0.000 1.035 28 V CA -0.706 61.639 62.300 0.075 0.000 0.873 28 V CB 1.350 33.203 31.823 0.050 0.000 0.992 28 V HN 0.232 nan 8.190 nan 0.000 0.428 29 F N 4.590 124.511 119.950 -0.049 0.000 2.464 29 F HA 0.365 4.892 4.527 -0.000 0.000 0.353 29 F C 1.292 177.075 175.800 -0.027 0.000 1.191 29 F CA -0.741 57.223 58.000 -0.060 0.000 1.147 29 F CB 0.194 39.153 39.000 -0.069 0.000 1.294 29 F HN 0.731 nan 8.300 nan 0.000 0.583 30 E N 2.141 122.416 120.200 0.125 0.000 2.047 30 E HA -0.169 4.181 4.350 -0.000 0.000 0.191 30 E C -0.053 176.453 176.600 -0.156 0.000 0.987 30 E CA 1.270 57.657 56.400 -0.021 0.000 0.799 30 E CB 0.100 29.815 29.700 0.025 0.000 0.752 30 E HN 0.489 nan 8.360 nan 0.000 0.449 31 D N -0.511 119.771 120.400 -0.198 0.000 2.405 31 D HA 0.114 4.754 4.640 -0.000 0.000 0.264 31 D C -2.162 173.932 176.300 -0.343 0.000 1.240 31 D CA -2.145 51.722 54.000 -0.223 0.000 0.893 31 D CB 1.118 41.873 40.800 -0.075 0.000 1.198 31 D HN -0.245 nan 8.370 nan 0.000 0.514 32 P HA -0.047 nan 4.420 nan 0.000 0.219 32 P C 0.860 178.051 177.300 -0.182 0.000 1.150 32 P CA 0.728 63.452 63.100 -0.628 0.000 0.814 32 P CB 0.519 31.804 31.700 -0.692 0.000 0.787 33 D N -0.504 119.804 120.400 -0.153 0.000 2.123 33 D HA -0.068 4.571 4.640 -0.000 0.000 0.200 33 D C 2.241 178.518 176.300 -0.037 0.000 0.976 33 D CA 1.541 55.499 54.000 -0.070 0.000 0.831 33 D CB -0.644 40.117 40.800 -0.066 0.000 0.974 33 D HN 0.135 nan 8.370 nan 0.000 0.469 34 G N 1.559 110.333 108.800 -0.043 0.000 2.459 34 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.217 34 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.217 34 G C 1.648 176.557 174.900 0.016 0.000 1.183 34 G CA 0.460 45.551 45.100 -0.015 0.000 0.776 34 G HN 0.189 nan 8.290 nan 0.000 0.552 35 L N 1.052 122.306 121.223 0.052 0.000 2.012 35 L HA -0.049 4.291 4.340 -0.000 0.000 0.210 35 L C 2.692 179.619 176.870 0.095 0.000 1.073 35 L CA 2.625 57.532 54.840 0.113 0.000 0.748 35 L CB -0.604 41.601 42.059 0.244 0.000 0.891 35 L HN 0.310 nan 8.230 nan 0.000 0.431 36 K N -0.993 119.457 120.400 0.082 0.000 2.032 36 K HA -0.228 4.092 4.320 -0.000 0.000 0.209 36 K C 1.961 178.586 176.600 0.041 0.000 1.048 36 K CA 1.621 57.951 56.287 0.071 0.000 0.927 36 K CB -0.075 32.459 32.500 0.056 0.000 0.712 36 K HN 0.261 nan 8.250 nan 0.000 0.441 37 E N 1.085 121.296 120.200 0.018 0.000 2.110 37 E HA -0.183 4.166 4.350 -0.000 0.000 0.193 37 E C 2.095 178.688 176.600 -0.012 0.000 0.988 37 E CA 1.243 57.642 56.400 -0.002 0.000 0.804 37 E CB -0.153 29.536 29.700 -0.018 0.000 0.745 37 E HN 0.453 nan 8.360 nan 0.000 0.458 38 Q N 0.086 119.883 119.800 -0.006 0.000 2.020 38 Q HA -0.102 4.238 4.340 -0.000 0.000 0.202 38 Q C 2.478 178.489 176.000 0.019 0.000 0.982 38 Q CA 1.198 56.990 55.803 -0.017 0.000 0.838 38 Q CB -0.289 28.450 28.738 0.002 0.000 0.899 38 Q HN 0.274 nan 8.270 nan 0.000 0.423 39 L N 0.481 121.737 121.223 0.055 0.000 2.079 39 L HA -0.228 4.112 4.340 -0.000 0.000 0.210 39 L C 2.358 179.265 176.870 0.061 0.000 1.081 39 L CA 0.959 55.842 54.840 0.073 0.000 0.752 39 L CB -0.528 41.583 42.059 0.087 0.000 0.896 39 L HN 0.266 nan 8.230 nan 0.000 0.433 40 L N -0.968 120.282 121.223 0.045 0.000 2.093 40 L HA -0.181 4.159 4.340 -0.000 0.000 0.208 40 L C 2.868 179.767 176.870 0.048 0.000 1.085 40 L CA 0.849 55.712 54.840 0.039 0.000 0.755 40 L CB -0.492 41.584 42.059 0.029 0.000 0.904 40 L HN 0.332 nan 8.230 nan 0.000 0.435 41 Q N 0.084 119.905 119.800 0.036 0.000 2.061 41 Q HA -0.201 4.138 4.340 -0.000 0.000 0.204 41 Q C 2.379 178.531 176.000 0.254 0.000 0.984 41 Q CA 1.533 57.378 55.803 0.070 0.000 0.846 41 Q CB -0.334 28.324 28.738 -0.134 0.000 0.902 41 Q HN 0.552 nan 8.270 nan 0.000 0.421 42 L N 0.223 121.575 121.223 0.215 0.000 2.083 42 L HA -0.181 4.159 4.340 -0.000 0.000 0.209 42 L C 2.633 179.572 176.870 0.115 0.000 1.083 42 L CA 1.114 56.104 54.840 0.250 0.000 0.752 42 L CB -0.429 41.742 42.059 0.187 0.000 0.899 42 L HN 0.146 nan 8.230 nan 0.000 0.433 43 R N 1.013 121.540 120.500 0.046 0.000 2.096 43 R HA -0.125 4.215 4.340 -0.000 0.000 0.235 43 R C 2.128 178.380 176.300 -0.079 0.000 1.127 43 R CA 1.712 57.774 56.100 -0.063 0.000 0.968 43 R CB -0.531 29.745 30.300 -0.039 0.000 0.861 43 R HN 0.292 nan 8.270 nan 0.000 0.440 44 A N -0.137 122.691 122.820 0.014 0.000 2.066 44 A HA 0.158 4.478 4.320 -0.000 0.000 0.218 44 A C 2.184 179.779 177.584 0.018 0.000 1.157 44 A CA 1.174 53.225 52.037 0.023 0.000 0.670 44 A CB -0.606 18.435 19.000 0.068 0.000 0.804 44 A HN 0.463 nan 8.150 nan 0.000 0.453 45 A N -1.654 121.189 122.820 0.038 0.000 2.119 45 A HA 0.378 4.698 4.320 -0.000 0.000 0.216 45 A C 1.834 179.344 177.584 -0.123 0.000 1.152 45 A CA 1.378 53.376 52.037 -0.064 0.000 0.708 45 A CB -0.725 18.226 19.000 -0.082 0.000 0.805 45 A HN 1.801 nan 8.150 nan 0.000 0.460 46 G N -1.779 106.951 108.800 -0.116 0.000 2.144 46 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.218 46 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.218 46 G C 0.152 175.015 174.900 -0.061 0.000 0.988 46 G CA -0.011 45.027 45.100 -0.104 0.000 0.659 46 G HN 0.740 nan 8.290 nan 0.000 0.522 47 V N 1.330 121.176 119.914 -0.114 0.000 2.673 47 V HA 0.123 4.243 4.120 -0.000 0.000 0.303 47 V C 1.455 177.519 176.094 -0.050 0.000 1.046 47 V CA 0.886 63.147 62.300 -0.065 0.000 1.126 47 V CB 1.143 33.001 31.823 0.058 0.000 0.934 47 V HN 0.375 nan 8.190 nan 0.000 0.487 48 D N 2.751 123.137 120.400 -0.023 0.000 2.183 48 D HA 0.157 4.797 4.640 -0.000 0.000 0.205 48 D C 0.738 177.097 176.300 0.099 0.000 0.962 48 D CA 1.391 55.445 54.000 0.090 0.000 0.849 48 D CB 0.810 41.571 40.800 -0.066 0.000 0.978 48 D HN 0.745 nan 8.370 nan 0.000 0.488 49 G N -0.185 108.666 108.800 0.085 0.000 2.554 49 G HA2 0.456 4.416 3.960 -0.000 0.000 0.306 49 G HA3 0.456 4.416 3.960 -0.000 0.000 0.306 49 G C -1.477 173.642 174.900 0.366 0.000 1.320 49 G CA -0.208 45.091 45.100 0.333 0.000 0.800 49 G HN 0.077 nan 8.290 nan 0.000 0.481 50 V N -2.801 117.298 119.914 0.308 0.000 3.130 50 V HA 0.907 5.027 4.120 -0.000 0.000 0.310 50 V C -0.406 175.776 176.094 0.147 0.000 1.158 50 V CA -1.044 61.394 62.300 0.231 0.000 1.029 50 V CB 1.966 33.883 31.823 0.157 0.000 1.057 50 V HN 1.147 nan 8.190 nan 0.000 0.436 51 M N 2.769 122.444 119.600 0.125 0.000 2.465 51 M HA 0.877 5.357 4.480 -0.000 0.000 0.316 51 M C -2.044 174.291 176.300 0.058 0.000 1.121 51 M CA -0.733 54.596 55.300 0.047 0.000 0.934 51 M CB 2.043 34.666 32.600 0.038 0.000 1.692 51 M HN 0.851 nan 8.290 nan 0.000 0.444 52 V N 4.022 123.953 119.914 0.027 0.000 2.888 52 V HA 0.417 4.537 4.120 -0.000 0.000 0.309 52 V C -1.269 174.811 176.094 -0.023 0.000 1.114 52 V CA -0.682 61.663 62.300 0.074 0.000 0.940 52 V CB 2.525 34.464 31.823 0.193 0.000 1.021 52 V HN 0.924 nan 8.190 nan 0.000 0.426 53 D N 3.854 124.186 120.400 -0.114 0.000 2.390 53 D HA 0.231 4.871 4.640 -0.000 0.000 0.249 53 D C -0.348 175.714 176.300 -0.397 0.000 1.144 53 D CA 0.234 53.921 54.000 -0.522 0.000 0.880 53 D CB 1.974 42.035 40.800 -1.233 0.000 1.182 53 D HN 0.334 nan 8.370 nan 0.000 0.451 54 V N 4.097 123.730 119.914 -0.468 0.000 2.240 54 V HA 0.093 4.213 4.120 -0.000 0.000 0.265 54 V C -0.249 175.692 176.094 -0.256 0.000 1.073 54 V CA -0.894 61.145 62.300 -0.434 0.000 0.857 54 V CB -0.458 31.157 31.823 -0.347 0.000 1.114 54 V HN 0.438 nan 8.190 nan 0.000 0.469 55 W N 3.224 124.582 121.300 0.096 0.000 2.381 55 W HA 0.106 4.767 4.660 0.002 0.000 0.321 55 W C 1.085 177.735 176.519 0.219 0.000 1.407 55 W CA -0.151 57.258 57.345 0.106 0.000 1.274 55 W CB 0.334 29.863 29.460 0.115 0.000 1.310 55 W HN 0.763 nan 8.180 nan 0.000 0.551 56 W N 3.563 124.950 121.300 0.144 0.000 2.338 56 W HA -0.137 4.524 4.660 0.002 0.000 0.304 56 W C 1.877 178.529 176.519 0.222 0.000 1.212 56 W CA 2.181 59.578 57.345 0.087 0.000 1.264 56 W CB -0.854 28.553 29.460 -0.088 0.000 1.142 56 W HN 0.400 nan 8.180 nan 0.000 0.512 57 G N 0.312 109.180 108.800 0.114 0.000 2.534 57 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.217 57 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.217 57 G C 1.540 176.433 174.900 -0.012 0.000 1.128 57 G CA 1.049 46.054 45.100 -0.159 0.000 0.784 57 G HN 0.363 nan 8.290 nan 0.000 0.542 58 I N 0.602 121.269 120.570 0.162 0.000 2.339 58 I HA -0.017 4.153 4.170 -0.000 0.000 0.245 58 I C 2.366 178.580 176.117 0.161 0.000 1.096 58 I CA 0.279 61.680 61.300 0.168 0.000 1.408 58 I CB -0.078 38.094 38.000 0.287 0.000 1.092 58 I HN 0.011 nan 8.210 nan 0.000 0.423 59 I N 0.636 121.338 120.570 0.220 0.000 2.202 59 I HA -0.221 3.948 4.170 -0.000 0.000 0.242 59 I C 1.868 178.054 176.117 0.115 0.000 1.091 59 I CA 1.637 62.985 61.300 0.080 0.000 1.368 59 I CB -1.061 36.852 38.000 -0.144 0.000 1.058 59 I HN 0.323 nan 8.210 nan 0.000 0.410 60 E N 0.860 121.235 120.200 0.292 0.000 2.511 60 E HA 0.041 4.391 4.350 -0.000 0.000 0.214 60 E C 1.582 178.342 176.600 0.266 0.000 1.062 60 E CA -0.274 56.301 56.400 0.291 0.000 1.213 60 E CB 0.229 30.314 29.700 0.642 0.000 1.214 60 E HN 0.172 nan 8.360 nan 0.000 0.441 61 L N 1.127 122.429 121.223 0.131 0.000 1.994 61 L HA -0.165 4.175 4.340 -0.000 0.000 0.208 61 L C 2.137 179.118 176.870 0.185 0.000 1.071 61 L CA 2.039 56.943 54.840 0.107 0.000 0.745 61 L CB -0.286 41.800 42.059 0.045 0.000 0.892 61 L HN 0.049 nan 8.230 nan 0.000 0.431 62 K N -0.877 119.573 120.400 0.084 0.000 2.063 62 K HA 0.074 4.393 4.320 -0.000 0.000 0.208 62 K C 0.663 177.242 176.600 -0.035 0.000 1.048 62 K CA 1.132 57.433 56.287 0.025 0.000 0.928 62 K CB -0.200 32.285 32.500 -0.026 0.000 0.713 62 K HN 0.601 nan 8.250 nan 0.000 0.442 63 G N -1.365 107.316 108.800 -0.199 0.000 2.322 63 G HA2 0.198 4.157 3.960 -0.000 0.000 0.295 63 G HA3 0.198 4.157 3.960 -0.000 0.000 0.295 63 G C -3.133 171.188 174.900 -0.964 0.000 1.369 63 G CA -1.191 43.502 45.100 -0.678 0.000 0.821 63 G HN -0.213 nan 8.290 nan 0.000 0.536 64 P HA 0.289 nan 4.420 nan 0.000 0.267 64 P C -0.127 176.866 177.300 -0.512 0.000 1.205 64 P CA 0.356 62.881 63.100 -0.957 0.000 0.765 64 P CB 0.538 31.759 31.700 -0.798 0.000 0.828 65 K N 0.506 120.629 120.400 -0.463 0.000 3.160 65 K HA -0.206 4.113 4.320 -0.000 0.000 0.280 65 K C -0.138 176.092 176.600 -0.616 0.000 1.154 65 K CA 0.719 56.647 56.287 -0.599 0.000 0.822 65 K CB -1.465 30.944 32.500 -0.151 0.000 1.239 65 K HN 0.580 nan 8.250 nan 0.000 0.489 66 Q N 0.905 120.356 119.800 -0.581 0.000 2.771 66 Q HA 0.148 4.488 4.340 -0.000 0.000 0.239 66 Q C -0.788 175.023 176.000 -0.315 0.000 1.231 66 Q CA -0.078 55.523 55.803 -0.336 0.000 1.056 66 Q CB 0.138 28.744 28.738 -0.220 0.000 1.284 66 Q HN 0.198 nan 8.270 nan 0.000 0.558 67 Y N 0.474 120.744 120.300 -0.050 0.000 2.299 67 Y HA 0.254 4.804 4.550 -0.000 0.000 0.326 67 Y C 0.552 176.278 175.900 -0.291 0.000 1.164 67 Y CA -0.856 57.088 58.100 -0.259 0.000 1.234 67 Y CB 0.835 39.059 38.460 -0.394 0.000 1.219 67 Y HN 0.237 nan 8.280 nan 0.000 0.497 68 D N 1.951 122.200 120.400 -0.251 0.000 2.473 68 D HA 0.172 4.811 4.640 -0.000 0.000 0.253 68 D C -1.002 175.204 176.300 -0.157 0.000 1.233 68 D CA -0.890 53.037 54.000 -0.122 0.000 0.908 68 D CB 0.295 41.086 40.800 -0.015 0.000 1.170 68 D HN 0.592 nan 8.370 nan 0.000 0.558 69 W N 2.819 124.200 121.300 0.134 0.000 3.278 69 W HA 0.246 4.907 4.660 0.001 0.000 0.308 69 W C 2.027 178.595 176.519 0.082 0.000 1.253 69 W CA -0.537 56.865 57.345 0.094 0.000 1.759 69 W CB 0.431 29.894 29.460 0.005 0.000 1.093 69 W HN 0.258 nan 8.180 nan 0.000 0.648 70 R N 0.821 121.470 120.500 0.249 0.000 2.082 70 R HA -0.194 4.146 4.340 -0.000 0.000 0.234 70 R C 2.400 178.785 176.300 0.142 0.000 1.136 70 R CA 1.951 58.159 56.100 0.180 0.000 0.935 70 R CB -0.897 29.484 30.300 0.134 0.000 0.842 70 R HN 0.175 nan 8.270 nan 0.000 0.430 71 A N 0.026 122.916 122.820 0.118 0.000 1.972 71 A HA -0.170 4.149 4.320 -0.000 0.000 0.219 71 A C 1.852 179.350 177.584 -0.145 0.000 1.169 71 A CA 1.161 53.221 52.037 0.038 0.000 0.635 71 A CB -0.605 18.408 19.000 0.021 0.000 0.810 71 A HN 0.346 nan 8.150 nan 0.000 0.446 72 Y N -0.128 120.108 120.300 -0.107 0.000 2.293 72 Y HA -0.123 4.427 4.550 0.000 0.000 0.291 72 Y C 2.626 178.120 175.900 -0.676 0.000 1.137 72 Y CA 1.541 59.394 58.100 -0.413 0.000 1.202 72 Y CB -0.176 38.074 38.460 -0.349 0.000 0.990 72 Y HN 0.240 nan 8.280 nan 0.000 0.537 73 R N -0.688 119.723 120.500 -0.148 0.000 2.091 73 R HA -0.161 4.179 4.340 -0.000 0.000 0.238 73 R C 2.351 178.696 176.300 0.075 0.000 1.136 73 R CA 1.683 57.797 56.100 0.022 0.000 0.959 73 R CB -0.530 29.898 30.300 0.214 0.000 0.856 73 R HN 0.217 nan 8.270 nan 0.000 0.437 74 S N 1.351 117.093 115.700 0.072 0.000 2.356 74 S HA -0.149 4.321 4.470 -0.000 0.000 0.223 74 S C 1.848 176.504 174.600 0.093 0.000 1.032 74 S CA 1.137 59.439 58.200 0.169 0.000 1.005 74 S CB -0.294 63.089 63.200 0.304 0.000 0.867 74 S HN 0.197 nan 8.310 nan 0.000 0.449 75 L N 1.172 122.227 121.223 -0.279 0.000 2.017 75 L HA -0.035 4.304 4.340 -0.000 0.000 0.208 75 L C 1.893 178.738 176.870 -0.041 0.000 1.073 75 L CA 1.856 56.391 54.840 -0.509 0.000 0.745 75 L CB -0.888 40.665 42.059 -0.842 0.000 0.894 75 L HN 0.143 nan 8.230 nan 0.000 0.432 76 F N -0.095 119.676 119.950 -0.298 0.000 2.171 76 F HA -0.191 4.337 4.527 0.001 0.000 0.300 76 F C 2.726 178.278 175.800 -0.412 0.000 1.090 76 F CA 1.118 58.818 58.000 -0.499 0.000 1.293 76 F CB -1.322 37.046 39.000 -1.054 0.000 1.013 76 F HN 0.266 nan 8.300 nan 0.000 0.486 77 Q N -0.059 119.750 119.800 0.016 0.000 2.061 77 Q HA -0.227 4.113 4.340 -0.000 0.000 0.204 77 Q C 2.442 178.560 176.000 0.198 0.000 0.984 77 Q CA 1.483 57.450 55.803 0.274 0.000 0.846 77 Q CB -0.923 28.011 28.738 0.327 0.000 0.902 77 Q HN 0.394 nan 8.270 nan 0.000 0.421 78 L N 0.201 121.536 121.223 0.187 0.000 2.083 78 L HA -0.142 4.198 4.340 -0.000 0.000 0.209 78 L C 2.243 179.197 176.870 0.140 0.000 1.083 78 L CA 1.335 56.288 54.840 0.189 0.000 0.752 78 L CB -0.597 41.633 42.059 0.286 0.000 0.899 78 L HN -0.046 nan 8.230 nan 0.000 0.433 79 V N -0.288 119.690 119.914 0.105 0.000 2.343 79 V HA -0.345 3.775 4.120 -0.000 0.000 0.247 79 V C 2.592 178.732 176.094 0.076 0.000 1.051 79 V CA 2.062 64.407 62.300 0.076 0.000 1.036 79 V CB -0.681 31.159 31.823 0.029 0.000 0.654 79 V HN 0.685 nan 8.190 nan 0.000 0.451 80 Q N 0.058 119.909 119.800 0.085 0.000 2.084 80 Q HA -0.267 4.073 4.340 -0.000 0.000 0.202 80 Q C 2.164 178.235 176.000 0.117 0.000 0.978 80 Q CA 2.100 57.973 55.803 0.117 0.000 0.844 80 Q CB -0.149 28.707 28.738 0.196 0.000 0.898 80 Q HN 0.720 nan 8.270 nan 0.000 0.426 81 E N -0.655 119.619 120.200 0.122 0.000 2.160 81 E HA -0.178 4.172 4.350 -0.000 0.000 0.195 81 E C 1.735 178.385 176.600 0.084 0.000 0.991 81 E CA 1.187 57.650 56.400 0.104 0.000 0.810 81 E CB 0.011 29.776 29.700 0.108 0.000 0.742 81 E HN 0.439 nan 8.360 nan 0.000 0.466 82 C N 0.099 119.449 119.300 0.083 0.000 2.576 82 C HA 0.236 4.696 4.460 -0.000 0.000 0.267 82 C C 1.550 176.572 174.990 0.054 0.000 1.364 82 C CA 0.312 59.370 59.018 0.067 0.000 1.723 82 C CB -1.030 26.752 27.740 0.071 0.000 1.778 82 C HN 0.659 nan 8.230 nan 0.000 0.572 83 G N 0.875 109.715 108.800 0.067 0.000 2.160 83 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.244 83 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.244 83 G C -0.257 174.686 174.900 0.072 0.000 1.022 83 G CA -0.012 45.130 45.100 0.069 0.000 0.741 83 G HN 0.532 nan 8.290 nan 0.000 0.508 84 L N 0.423 121.692 121.223 0.078 0.000 2.330 84 L HA 0.754 5.094 4.340 -0.000 0.000 0.271 84 L C 1.213 178.150 176.870 0.111 0.000 1.013 84 L CA -0.576 54.320 54.840 0.093 0.000 0.816 84 L CB 1.954 44.065 42.059 0.087 0.000 1.287 84 L HN 0.332 nan 8.230 nan 0.000 0.435 85 T N -0.397 114.252 114.554 0.158 0.000 2.849 85 T HA 0.691 5.040 4.350 -0.000 0.000 0.276 85 T C -0.613 174.148 174.700 0.102 0.000 0.971 85 T CA -0.726 61.457 62.100 0.138 0.000 0.949 85 T CB 1.782 70.773 68.868 0.205 0.000 1.093 85 T HN 0.429 nan 8.240 nan 0.000 0.545 86 L N 0.009 121.236 121.223 0.007 0.000 2.455 86 L HA 0.440 4.780 4.340 -0.000 0.000 0.264 86 L C -1.376 175.399 176.870 -0.157 0.000 0.968 86 L CA -0.625 54.160 54.840 -0.090 0.000 0.827 86 L CB 2.189 44.101 42.059 -0.244 0.000 1.317 86 L HN 0.760 nan 8.230 nan 0.000 0.407 87 Q N 4.243 123.941 119.800 -0.170 0.000 2.348 87 Q HA 0.717 5.056 4.340 -0.000 0.000 0.265 87 Q C -0.793 175.100 176.000 -0.179 0.000 0.998 87 Q CA -0.680 54.995 55.803 -0.213 0.000 0.831 87 Q CB 2.092 30.667 28.738 -0.272 0.000 1.251 87 Q HN 0.700 nan 8.270 nan 0.000 0.456 88 A N 4.034 126.729 122.820 -0.209 0.000 2.276 88 A HA 0.605 4.925 4.320 -0.000 0.000 0.316 88 A C -0.465 176.963 177.584 -0.261 0.000 1.229 88 A CA -0.612 51.305 52.037 -0.201 0.000 0.851 88 A CB 0.423 19.308 19.000 -0.191 0.000 1.165 88 A HN 0.776 nan 8.150 nan 0.000 0.513 89 I N 3.257 123.678 120.570 -0.248 0.000 2.353 89 I HA 0.197 4.367 4.170 -0.000 0.000 0.293 89 I C 0.014 175.904 176.117 -0.378 0.000 0.992 89 I CA -0.421 60.709 61.300 -0.284 0.000 1.268 89 I CB 1.534 39.381 38.000 -0.255 0.000 1.387 89 I HN 0.512 nan 8.210 nan 0.000 0.478 90 M N 5.121 124.480 119.600 -0.402 0.000 2.775 90 M HA 0.141 4.621 4.480 -0.000 0.000 0.313 90 M C -0.096 175.746 176.300 -0.763 0.000 1.429 90 M CA 0.230 55.182 55.300 -0.579 0.000 1.494 90 M CB -0.525 31.796 32.600 -0.465 0.000 1.274 90 M HN 0.402 nan 8.290 nan 0.000 0.491 91 S N 3.194 118.499 115.700 -0.658 0.000 2.485 91 S HA 0.293 4.762 4.470 -0.000 0.000 0.312 91 S C 0.333 174.729 174.600 -0.340 0.000 1.102 91 S CA -0.389 57.501 58.200 -0.516 0.000 1.066 91 S CB -0.450 62.154 63.200 -0.993 0.000 1.102 91 S HN 0.394 nan 8.310 nan 0.000 0.519 92 F N 3.522 123.509 119.950 0.062 0.000 2.777 92 F HA 0.190 4.717 4.527 -0.001 0.000 0.291 92 F C 1.484 177.618 175.800 0.557 0.000 1.187 92 F CA -0.493 57.593 58.000 0.143 0.000 1.406 92 F CB -0.242 38.493 39.000 -0.441 0.000 0.982 92 F HN 0.583 nan 8.300 nan 0.000 0.509 93 H N -1.522 117.914 119.070 0.609 0.000 2.908 93 H HA 0.428 4.984 4.556 0.000 0.000 0.350 93 H C -0.925 174.716 175.328 0.522 0.000 1.217 93 H CA -1.137 55.261 56.048 0.582 0.000 1.168 93 H CB 1.119 31.121 29.762 0.400 0.000 1.891 93 H HN 0.166 nan 8.280 nan 0.000 0.566 94 Q N 0.791 120.856 119.800 0.442 0.000 2.227 94 Q HA 0.363 4.702 4.340 -0.000 0.000 0.245 94 Q C -1.039 175.064 176.000 0.172 0.000 0.926 94 Q CA -0.678 55.242 55.803 0.195 0.000 0.895 94 Q CB 1.561 30.368 28.738 0.115 0.000 1.230 94 Q HN 0.592 nan 8.270 nan 0.000 0.450 95 C N 2.510 121.684 119.300 -0.211 0.000 2.330 95 C HA 0.816 5.276 4.460 -0.000 0.000 0.344 95 C C 1.012 175.923 174.990 -0.131 0.000 1.273 95 C CA 1.003 59.886 59.018 -0.225 0.000 1.879 95 C CB -0.133 27.164 27.740 -0.738 0.000 2.376 95 C HN 1.052 nan 8.230 nan 0.000 0.534 96 G N 3.592 112.379 108.800 -0.022 0.000 4.172 96 G HA2 -0.006 3.954 3.960 -0.000 0.000 0.204 96 G HA3 -0.006 3.954 3.960 -0.000 0.000 0.204 96 G C 0.952 175.856 174.900 0.005 0.000 1.256 96 G CA 0.369 45.453 45.100 -0.028 0.000 0.886 96 G HN 1.204 nan 8.290 nan 0.000 0.344 97 G N 0.858 109.671 108.800 0.021 0.000 3.141 97 G HA2 0.364 4.324 3.960 -0.000 0.000 0.218 97 G HA3 0.364 4.324 3.960 -0.000 0.000 0.218 97 G C 0.271 175.189 174.900 0.029 0.000 1.170 97 G CA 0.190 45.300 45.100 0.017 0.000 0.769 97 G HN 0.389 nan 8.290 nan 0.000 0.546 98 N N -0.357 118.371 118.700 0.047 0.000 2.471 98 N HA 0.249 4.989 4.740 -0.000 0.000 0.288 98 N C -0.440 175.113 175.510 0.072 0.000 1.220 98 N CA -0.605 52.478 53.050 0.056 0.000 0.893 98 N CB 2.354 40.871 38.487 0.049 0.000 1.256 98 N HN -0.136 nan 8.380 nan 0.000 0.534 99 V N 0.896 120.864 119.914 0.091 0.000 2.557 99 V HA 0.201 4.321 4.120 -0.000 0.000 0.301 99 V C 1.343 177.470 176.094 0.056 0.000 1.026 99 V CA 1.886 64.231 62.300 0.075 0.000 1.137 99 V CB -0.403 31.470 31.823 0.083 0.000 0.917 99 V HN 1.000 nan 8.190 nan 0.000 0.484 100 G N 4.752 113.576 108.800 0.041 0.000 2.225 100 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.254 100 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.254 100 G C -0.003 174.927 174.900 0.051 0.000 0.988 100 G CA 0.198 45.321 45.100 0.038 0.000 0.625 100 G HN 0.819 nan 8.290 nan 0.000 0.527 101 D N 1.391 121.825 120.400 0.056 0.000 2.429 101 D HA 0.244 4.884 4.640 -0.000 0.000 0.253 101 D C 2.072 178.387 176.300 0.024 0.000 1.294 101 D CA 0.307 54.339 54.000 0.053 0.000 1.063 101 D CB -0.287 40.544 40.800 0.051 0.000 1.096 101 D HN 0.659 nan 8.370 nan 0.000 0.516 102 I N -0.496 120.090 120.570 0.026 0.000 3.564 102 I HA 0.053 4.223 4.170 -0.000 0.000 0.294 102 I C 0.475 176.586 176.117 -0.011 0.000 1.289 102 I CA 0.021 61.327 61.300 0.011 0.000 1.325 102 I CB 0.073 38.085 38.000 0.020 0.000 1.039 102 I HN 0.012 nan 8.210 nan 0.000 0.474 103 V N 1.110 121.004 119.914 -0.033 0.000 2.925 103 V HA 0.508 4.628 4.120 -0.000 0.000 0.311 103 V C -1.416 174.601 176.094 -0.127 0.000 1.104 103 V CA -0.684 61.572 62.300 -0.074 0.000 0.954 103 V CB 2.240 34.015 31.823 -0.081 0.000 1.022 103 V HN 0.305 nan 8.190 nan 0.000 0.427 104 N N 4.318 122.939 118.700 -0.133 0.000 2.422 104 N HA 0.609 5.349 4.740 -0.000 0.000 0.266 104 N C -1.125 174.244 175.510 -0.236 0.000 1.007 104 N CA -0.230 52.727 53.050 -0.156 0.000 0.941 104 N CB 0.743 39.168 38.487 -0.103 0.000 1.115 104 N HN 0.693 nan 8.380 nan 0.000 0.492 105 I N 5.472 125.834 120.570 -0.346 0.000 2.476 105 I HA 0.385 4.555 4.170 -0.000 0.000 0.281 105 I C -2.247 173.691 176.117 -0.298 0.000 1.040 105 I CA -1.793 59.253 61.300 -0.423 0.000 1.094 105 I CB 2.148 39.646 38.000 -0.837 0.000 1.219 105 I HN 0.406 nan 8.210 nan 0.000 0.450 106 P HA 0.422 nan 4.420 nan 0.000 0.284 106 P C -0.127 177.085 177.300 -0.148 0.000 1.292 106 P CA -0.588 62.434 63.100 -0.130 0.000 0.800 106 P CB 0.923 32.555 31.700 -0.113 0.000 1.188 107 I N -3.119 117.362 120.570 -0.149 0.000 3.269 107 I HA 0.340 4.510 4.170 -0.000 0.000 0.287 107 I C -2.292 173.497 176.117 -0.546 0.000 1.152 107 I CA -2.449 58.624 61.300 -0.378 0.000 1.263 107 I CB -0.951 36.876 38.000 -0.290 0.000 1.439 107 I HN 0.053 nan 8.210 nan 0.000 0.637 108 P HA -0.023 nan 4.420 nan 0.000 0.265 108 P C -0.065 176.921 177.300 -0.524 0.000 1.193 108 P CA 0.255 62.893 63.100 -0.770 0.000 0.765 108 P CB 0.613 31.569 31.700 -1.241 0.000 0.823 109 Q N 4.406 124.072 119.800 -0.224 0.000 2.152 109 Q HA -0.176 4.164 4.340 -0.000 0.000 0.206 109 Q C 1.628 177.637 176.000 0.015 0.000 0.985 109 Q CA 2.050 57.812 55.803 -0.068 0.000 0.863 109 Q CB -0.653 28.101 28.738 0.027 0.000 0.904 109 Q HN 0.683 nan 8.270 nan 0.000 0.422 110 W N -1.351 119.942 121.300 -0.011 0.000 2.465 110 W HA -0.009 4.650 4.660 -0.002 0.000 0.268 110 W C 1.218 177.809 176.519 0.120 0.000 1.242 110 W CA 0.796 58.179 57.345 0.064 0.000 1.248 110 W CB -0.664 28.834 29.460 0.063 0.000 1.118 110 W HN -0.018 nan 8.180 nan 0.000 0.587 111 V N 1.749 121.397 119.914 -0.443 0.000 2.346 111 V HA -0.265 3.854 4.120 -0.000 0.000 0.244 111 V C 2.597 178.674 176.094 -0.028 0.000 1.037 111 V CA 1.230 63.317 62.300 -0.354 0.000 1.029 111 V CB -1.008 30.363 31.823 -0.753 0.000 0.663 111 V HN 0.011 nan 8.190 nan 0.000 0.454 112 L N 0.398 121.603 121.223 -0.031 0.000 2.081 112 L HA -0.214 4.126 4.340 -0.000 0.000 0.212 112 L C 2.190 179.161 176.870 0.169 0.000 1.080 112 L CA 1.900 56.822 54.840 0.137 0.000 0.754 112 L CB -1.239 40.850 42.059 0.050 0.000 0.893 112 L HN 0.368 nan 8.230 nan 0.000 0.433 113 D N -0.646 119.838 120.400 0.140 0.000 2.097 113 D HA -0.184 4.455 4.640 -0.000 0.000 0.195 113 D C 2.384 178.769 176.300 0.142 0.000 0.989 113 D CA 1.296 55.389 54.000 0.155 0.000 0.827 113 D CB -0.118 40.791 40.800 0.182 0.000 0.966 113 D HN 0.319 nan 8.370 nan 0.000 0.456 114 I N 1.039 121.697 120.570 0.147 0.000 2.208 114 I HA -0.201 3.968 4.170 -0.000 0.000 0.245 114 I C 2.498 178.632 176.117 0.028 0.000 1.097 114 I CA 1.510 62.850 61.300 0.068 0.000 1.363 114 I CB -0.381 37.660 38.000 0.068 0.000 1.051 114 I HN 0.025 nan 8.210 nan 0.000 0.413 115 G N -0.342 108.509 108.800 0.084 0.000 2.471 115 G HA2 -0.244 3.715 3.960 -0.000 0.000 0.219 115 G HA3 -0.244 3.715 3.960 -0.000 0.000 0.219 115 G C 1.479 176.547 174.900 0.279 0.000 1.125 115 G CA 0.435 45.604 45.100 0.114 0.000 0.775 115 G HN 0.307 nan 8.290 nan 0.000 0.548 116 E N 0.642 120.978 120.200 0.227 0.000 2.265 116 E HA -0.091 4.259 4.350 -0.000 0.000 0.196 116 E C 2.473 179.095 176.600 0.038 0.000 0.996 116 E CA 1.279 57.811 56.400 0.219 0.000 0.832 116 E CB 0.003 29.795 29.700 0.154 0.000 0.756 116 E HN 0.477 nan 8.360 nan 0.000 0.491 117 S N -1.148 114.524 115.700 -0.046 0.000 2.603 117 S HA 0.134 4.604 4.470 -0.000 0.000 0.232 117 S C 0.182 174.638 174.600 -0.241 0.000 1.016 117 S CA -0.540 57.569 58.200 -0.151 0.000 0.976 117 S CB 0.293 63.453 63.200 -0.066 0.000 0.921 117 S HN 0.088 nan 8.310 nan 0.000 0.516 118 N N 0.989 119.557 118.700 -0.220 0.000 2.690 118 N HA 0.307 5.047 4.740 -0.000 0.000 0.255 118 N C -0.204 175.245 175.510 -0.101 0.000 1.195 118 N CA -0.283 52.662 53.050 -0.175 0.000 0.790 118 N CB 0.287 38.703 38.487 -0.119 0.000 1.216 118 N HN 0.340 nan 8.380 nan 0.000 0.528 119 H N 0.126 119.248 119.070 0.087 0.000 2.518 119 H HA 0.005 4.561 4.556 -0.001 0.000 0.289 119 H C 0.113 175.541 175.328 0.167 0.000 1.051 119 H CA 0.829 56.991 56.048 0.190 0.000 1.280 119 H CB 0.679 30.563 29.762 0.203 0.000 1.380 119 H HN 0.496 nan 8.280 nan 0.000 0.566 120 D N 1.085 121.604 120.400 0.199 0.000 2.324 120 D HA -0.024 4.616 4.640 -0.000 0.000 0.235 120 D C 1.670 178.099 176.300 0.215 0.000 1.095 120 D CA 0.369 54.502 54.000 0.222 0.000 0.871 120 D CB 0.178 41.058 40.800 0.134 0.000 0.906 120 D HN 0.667 nan 8.370 nan 0.000 0.522 121 I N -3.250 117.285 120.570 -0.058 0.000 3.578 121 I HA 0.096 4.266 4.170 -0.000 0.000 0.295 121 I C -0.067 175.841 176.117 -0.347 0.000 1.280 121 I CA 0.149 61.312 61.300 -0.228 0.000 1.347 121 I CB -0.104 37.713 38.000 -0.304 0.000 1.051 121 I HN -0.333 nan 8.210 nan 0.000 0.460 122 F N 0.216 120.250 119.950 0.141 0.000 2.483 122 F HA 0.500 5.026 4.527 -0.001 0.000 0.329 122 F C 0.047 175.932 175.800 0.141 0.000 1.064 122 F CA -1.145 56.917 58.000 0.103 0.000 0.986 122 F CB 0.174 39.268 39.000 0.157 0.000 1.218 122 F HN -0.241 nan 8.300 nan 0.000 0.484 123 Y N 0.695 121.258 120.300 0.438 0.000 2.712 123 Y HA 0.230 4.780 4.550 -0.001 0.000 0.333 123 Y C 0.640 176.743 175.900 0.339 0.000 1.225 123 Y CA 0.170 58.488 58.100 0.363 0.000 1.499 123 Y CB -0.071 38.589 38.460 0.333 0.000 1.288 123 Y HN 0.409 nan 8.280 nan 0.000 0.575 124 T N 4.955 119.820 114.554 0.517 0.000 2.881 124 T HA 0.283 4.633 4.350 -0.000 0.000 0.290 124 T C -0.400 174.541 174.700 0.400 0.000 1.000 124 T CA -1.212 61.124 62.100 0.393 0.000 0.978 124 T CB 0.896 69.982 68.868 0.362 0.000 0.997 124 T HN 0.617 nan 8.240 nan 0.000 0.443 125 N N 1.709 120.569 118.700 0.266 0.000 2.448 125 N HA 0.272 5.011 4.740 -0.000 0.000 0.274 125 N C 1.066 176.466 175.510 -0.184 0.000 1.239 125 N CA -1.002 52.136 53.050 0.146 0.000 0.982 125 N CB 0.747 39.297 38.487 0.104 0.000 1.199 125 N HN 0.507 nan 8.380 nan 0.000 0.576 126 R N -0.384 119.696 120.500 -0.700 0.000 2.127 126 R HA -0.054 4.286 4.340 -0.000 0.000 0.238 126 R C 1.019 177.060 176.300 -0.432 0.000 1.134 126 R CA 1.571 57.015 56.100 -1.094 0.000 0.975 126 R CB -0.240 29.430 30.300 -1.050 0.000 0.865 126 R HN 0.697 nan 8.270 nan 0.000 0.447 127 S N -0.993 114.561 115.700 -0.244 0.000 2.561 127 S HA 0.095 4.565 4.470 -0.000 0.000 0.225 127 S C 1.161 175.734 174.600 -0.047 0.000 0.977 127 S CA 0.680 58.812 58.200 -0.113 0.000 0.926 127 S CB 0.676 63.842 63.200 -0.057 0.000 0.769 127 S HN 0.667 nan 8.310 nan 0.000 0.533 128 G N 1.402 110.189 108.800 -0.022 0.000 2.141 128 G HA2 -0.230 3.729 3.960 -0.000 0.000 0.231 128 G HA3 -0.230 3.729 3.960 -0.000 0.000 0.231 128 G C 0.062 175.005 174.900 0.070 0.000 0.984 128 G CA 0.031 45.158 45.100 0.046 0.000 0.660 128 G HN 0.449 nan 8.290 nan 0.000 0.525 129 T N 2.830 117.431 114.554 0.079 0.000 2.834 129 T HA 0.464 4.813 4.350 -0.000 0.000 0.298 129 T C 0.658 175.434 174.700 0.126 0.000 0.966 129 T CA -0.156 61.996 62.100 0.086 0.000 1.141 129 T CB 0.665 69.597 68.868 0.107 0.000 0.905 129 T HN 0.423 nan 8.240 nan 0.000 0.535 130 R N 3.571 124.120 120.500 0.082 0.000 2.229 130 R HA 0.294 4.634 4.340 -0.000 0.000 0.328 130 R C -0.299 176.011 176.300 0.016 0.000 1.009 130 R CA -0.453 55.718 56.100 0.118 0.000 0.864 130 R CB 0.188 30.580 30.300 0.154 0.000 1.085 130 R HN 0.626 nan 8.270 nan 0.000 0.453 131 N N 2.071 120.841 118.700 0.118 0.000 2.414 131 N HA 0.078 4.818 4.740 -0.000 0.000 0.256 131 N C 0.041 175.531 175.510 -0.034 0.000 1.029 131 N CA -0.345 52.744 53.050 0.066 0.000 0.948 131 N CB 0.782 39.390 38.487 0.202 0.000 1.102 131 N HN 0.400 nan 8.380 nan 0.000 0.496 132 K N 2.140 122.387 120.400 -0.256 0.000 2.410 132 K HA -0.020 4.299 4.320 -0.000 0.000 0.200 132 K C 0.715 177.337 176.600 0.038 0.000 1.023 132 K CA 0.131 56.147 56.287 -0.453 0.000 1.149 132 K CB 0.271 32.391 32.500 -0.633 0.000 0.859 132 K HN 0.694 nan 8.250 nan 0.000 0.514 133 E N 0.002 120.298 120.200 0.160 0.000 2.502 133 E HA -0.098 4.252 4.350 -0.000 0.000 0.194 133 E C -0.371 176.500 176.600 0.452 0.000 1.062 133 E CA 0.298 56.850 56.400 0.253 0.000 0.867 133 E CB 0.045 29.874 29.700 0.214 0.000 0.888 133 E HN 0.185 nan 8.360 nan 0.000 0.510 134 Y N -0.294 120.198 120.300 0.319 0.000 2.583 134 Y HA 0.264 4.814 4.550 -0.001 0.000 0.330 134 Y C -1.733 174.303 175.900 0.226 0.000 1.185 134 Y CA -1.043 57.248 58.100 0.318 0.000 1.107 134 Y CB 0.962 39.607 38.460 0.308 0.000 1.344 134 Y HN -0.104 nan 8.280 nan 0.000 0.463 135 L N 4.037 124.970 121.223 -0.483 0.000 2.371 135 L HA 0.352 4.691 4.340 -0.000 0.000 0.272 135 L C 0.708 177.263 176.870 -0.526 0.000 1.124 135 L CA -0.487 54.128 54.840 -0.374 0.000 0.816 135 L CB 1.247 43.074 42.059 -0.388 0.000 1.129 135 L HN 0.765 nan 8.230 nan 0.000 0.448 136 T N 1.175 115.405 114.554 -0.540 0.000 2.930 136 T HA 0.060 4.410 4.350 -0.000 0.000 0.306 136 T C 1.357 175.854 174.700 -0.340 0.000 1.045 136 T CA -0.587 61.036 62.100 -0.795 0.000 1.134 136 T CB 0.915 69.532 68.868 -0.417 0.000 0.961 136 T HN 0.365 nan 8.240 nan 0.000 0.545 137 V N 4.914 124.694 119.914 -0.223 0.000 2.527 137 V HA -0.147 3.972 4.120 -0.000 0.000 0.255 137 V C 2.726 178.812 176.094 -0.013 0.000 1.081 137 V CA 2.360 64.598 62.300 -0.103 0.000 1.092 137 V CB -1.295 30.459 31.823 -0.116 0.000 0.673 137 V HN 1.075 nan 8.190 nan 0.000 0.470 138 G N 0.153 108.968 108.800 0.025 0.000 2.479 138 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.220 138 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.220 138 G C 1.358 176.173 174.900 -0.142 0.000 1.115 138 G CA 1.319 46.463 45.100 0.073 0.000 0.757 138 G HN 0.762 nan 8.290 nan 0.000 0.560 139 V N -2.588 117.202 119.914 -0.206 0.000 3.376 139 V HA 0.257 4.377 4.120 -0.000 0.000 0.313 139 V C 1.325 177.351 176.094 -0.113 0.000 1.393 139 V CA 0.355 62.489 62.300 -0.277 0.000 1.125 139 V CB 0.300 31.976 31.823 -0.244 0.000 1.037 139 V HN -0.055 nan 8.190 nan 0.000 0.440 140 D N 2.492 122.855 120.400 -0.061 0.000 2.158 140 D HA -0.149 4.491 4.640 -0.000 0.000 0.197 140 D C 1.311 177.577 176.300 -0.056 0.000 0.995 140 D CA 1.859 55.842 54.000 -0.029 0.000 0.846 140 D CB -0.066 40.776 40.800 0.069 0.000 0.941 140 D HN 0.590 nan 8.370 nan 0.000 0.456 141 N N 0.697 119.369 118.700 -0.046 0.000 2.291 141 N HA 0.026 4.766 4.740 -0.000 0.000 0.244 141 N C -0.568 174.912 175.510 -0.050 0.000 1.216 141 N CA -0.021 53.008 53.050 -0.035 0.000 0.879 141 N CB 1.157 39.639 38.487 -0.008 0.000 1.167 141 N HN 0.117 nan 8.380 nan 0.000 0.515 142 E N 1.670 121.813 120.200 -0.095 0.000 2.174 142 E HA 0.234 4.583 4.350 -0.000 0.000 0.282 142 E C -2.156 174.383 176.600 -0.102 0.000 0.992 142 E CA -1.733 54.584 56.400 -0.139 0.000 0.803 142 E CB 1.993 31.496 29.700 -0.329 0.000 1.090 142 E HN 0.047 nan 8.360 nan 0.000 0.396 143 P HA 0.176 nan 4.420 nan 0.000 0.212 143 P C 0.658 177.887 177.300 -0.119 0.000 1.816 143 P CA 0.059 63.130 63.100 -0.047 0.000 0.944 143 P CB -0.681 31.008 31.700 -0.019 0.000 1.896 144 I N -5.155 115.243 120.570 -0.286 0.000 3.956 144 I HA 0.325 4.494 4.170 -0.000 0.000 0.333 144 I C -0.306 175.419 176.117 -0.653 0.000 1.302 144 I CA -0.282 60.736 61.300 -0.470 0.000 1.122 144 I CB -0.304 37.330 38.000 -0.609 0.000 1.013 144 I HN -0.260 nan 8.210 nan 0.000 0.405 145 F N 3.627 123.538 119.950 -0.064 0.000 2.395 145 F HA 0.450 4.976 4.527 -0.001 0.000 0.347 145 F C 0.411 176.248 175.800 0.061 0.000 1.157 145 F CA -0.708 57.296 58.000 0.007 0.000 1.272 145 F CB -0.648 38.437 39.000 0.141 0.000 1.607 145 F HN 0.153 nan 8.300 nan 0.000 0.571 146 H N 0.782 119.951 119.070 0.165 0.000 2.770 146 H HA -0.195 4.361 4.556 -0.000 0.000 0.309 146 H C 1.548 176.911 175.328 0.059 0.000 1.206 146 H CA 0.796 56.895 56.048 0.084 0.000 1.147 146 H CB -1.214 28.572 29.762 0.039 0.000 1.422 146 H HN 0.913 nan 8.280 nan 0.000 0.420 147 G N -0.647 108.202 108.800 0.083 0.000 2.234 147 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.235 147 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.235 147 G C 0.483 175.433 174.900 0.083 0.000 0.997 147 G CA 0.354 45.495 45.100 0.069 0.000 0.623 147 G HN 0.535 nan 8.290 nan 0.000 0.514 148 R N 1.008 121.595 120.500 0.145 0.000 2.643 148 R HA 0.612 4.952 4.340 -0.000 0.000 0.272 148 R C 0.767 177.177 176.300 0.184 0.000 0.995 148 R CA 0.149 56.336 56.100 0.145 0.000 1.032 148 R CB 1.086 31.493 30.300 0.178 0.000 1.126 148 R HN 0.372 nan 8.270 nan 0.000 0.505 149 T N -1.949 112.661 114.554 0.093 0.000 2.881 149 T HA 0.324 4.674 4.350 -0.000 0.000 0.278 149 T C 1.253 175.914 174.700 -0.065 0.000 0.982 149 T CA -0.335 61.807 62.100 0.070 0.000 0.989 149 T CB 1.603 70.461 68.868 -0.017 0.000 1.058 149 T HN 0.589 nan 8.240 nan 0.000 0.529 150 A N 0.702 123.402 122.820 -0.199 0.000 1.930 150 A HA 0.090 4.410 4.320 -0.000 0.000 0.217 150 A C 2.302 179.298 177.584 -0.980 0.000 1.175 150 A CA 1.025 52.622 52.037 -0.732 0.000 0.627 150 A CB -1.006 17.573 19.000 -0.702 0.000 0.815 150 A HN 0.872 nan 8.150 nan 0.000 0.443 151 I N -0.469 119.808 120.570 -0.488 0.000 2.315 151 I HA -0.249 3.921 4.170 -0.000 0.000 0.248 151 I C 2.403 178.354 176.117 -0.277 0.000 1.117 151 I CA 1.489 62.588 61.300 -0.335 0.000 1.404 151 I CB -0.525 37.399 38.000 -0.126 0.000 1.071 151 I HN 0.443 nan 8.210 nan 0.000 0.419 152 E N 1.054 121.133 120.200 -0.201 0.000 2.118 152 E HA -0.219 4.131 4.350 -0.000 0.000 0.195 152 E C 2.269 178.807 176.600 -0.104 0.000 0.992 152 E CA 1.267 57.609 56.400 -0.097 0.000 0.804 152 E CB -0.083 29.602 29.700 -0.026 0.000 0.741 152 E HN 0.489 nan 8.360 nan 0.000 0.458 153 I N 0.323 120.740 120.570 -0.255 0.000 2.179 153 I HA -0.293 3.877 4.170 -0.000 0.000 0.242 153 I C 2.008 178.002 176.117 -0.205 0.000 1.088 153 I CA 1.103 62.288 61.300 -0.191 0.000 1.357 153 I CB -0.253 37.516 38.000 -0.384 0.000 1.051 153 I HN 0.134 nan 8.210 nan 0.000 0.409 154 Y N 0.005 120.002 120.300 -0.505 0.000 2.200 154 Y HA -0.199 4.350 4.550 -0.001 0.000 0.290 154 Y C 2.994 178.815 175.900 -0.132 0.000 1.137 154 Y CA 1.084 58.734 58.100 -0.750 0.000 1.163 154 Y CB -1.352 36.447 38.460 -1.102 0.000 0.988 154 Y HN 0.126 nan 8.280 nan 0.000 0.518 155 S N -0.074 115.657 115.700 0.051 0.000 2.356 155 S HA -0.186 4.284 4.470 -0.000 0.000 0.223 155 S C 1.799 176.485 174.600 0.144 0.000 1.032 155 S CA 1.691 59.945 58.200 0.091 0.000 1.005 155 S CB -0.405 62.814 63.200 0.031 0.000 0.867 155 S HN 0.392 nan 8.310 nan 0.000 0.449 156 D N -0.292 120.210 120.400 0.171 0.000 2.123 156 D HA -0.111 4.528 4.640 -0.000 0.000 0.196 156 D C 1.587 178.057 176.300 0.285 0.000 0.992 156 D CA 1.258 55.397 54.000 0.232 0.000 0.833 156 D CB -0.533 40.459 40.800 0.321 0.000 0.954 156 D HN 0.632 nan 8.370 nan 0.000 0.455 157 Y N 0.758 121.211 120.300 0.254 0.000 2.145 157 Y HA -0.195 4.355 4.550 -0.001 0.000 0.286 157 Y C 2.356 178.387 175.900 0.218 0.000 1.145 157 Y CA 1.586 59.851 58.100 0.276 0.000 1.148 157 Y CB -0.141 38.639 38.460 0.533 0.000 0.981 157 Y HN -0.098 nan 8.280 nan 0.000 0.507 158 M N -0.195 119.660 119.600 0.425 0.000 2.229 158 M HA -0.187 4.293 4.480 -0.000 0.000 0.264 158 M C 1.999 178.238 176.300 -0.102 0.000 1.063 158 M CA 1.424 56.852 55.300 0.213 0.000 1.114 158 M CB -0.198 32.554 32.600 0.253 0.000 1.387 158 M HN 0.129 nan 8.290 nan 0.000 0.420 159 K N -0.222 120.126 120.400 -0.087 0.000 2.025 159 K HA -0.110 4.210 4.320 -0.000 0.000 0.207 159 K C 2.279 178.783 176.600 -0.160 0.000 1.049 159 K CA 1.593 57.785 56.287 -0.159 0.000 0.933 159 K CB -0.454 32.008 32.500 -0.063 0.000 0.714 159 K HN 0.214 nan 8.250 nan 0.000 0.438 160 S N 0.864 116.483 115.700 -0.135 0.000 2.359 160 S HA -0.181 4.289 4.470 -0.000 0.000 0.224 160 S C 1.837 176.201 174.600 -0.394 0.000 1.035 160 S CA 1.081 59.174 58.200 -0.180 0.000 1.018 160 S CB -0.369 62.625 63.200 -0.344 0.000 0.876 160 S HN 0.321 nan 8.310 nan 0.000 0.448 161 F N 3.002 122.546 119.950 -0.677 0.000 2.091 161 F HA -0.102 4.424 4.527 -0.001 0.000 0.299 161 F C 2.592 178.055 175.800 -0.561 0.000 1.103 161 F CA 2.156 59.526 58.000 -1.050 0.000 1.228 161 F CB -0.476 38.161 39.000 -0.605 0.000 0.984 161 F HN 0.123 nan 8.300 nan 0.000 0.477 162 R N 0.723 121.112 120.500 -0.186 0.000 2.083 162 R HA -0.199 4.141 4.340 -0.000 0.000 0.237 162 R C 2.137 178.299 176.300 -0.230 0.000 1.137 162 R CA 2.313 58.311 56.100 -0.170 0.000 0.951 162 R CB -0.624 29.459 30.300 -0.362 0.000 0.851 162 R HN 0.431 nan 8.270 nan 0.000 0.434 163 E N -0.057 119.999 120.200 -0.239 0.000 2.047 163 E HA -0.106 4.243 4.350 -0.000 0.000 0.191 163 E C 1.851 178.313 176.600 -0.230 0.000 0.987 163 E CA 1.108 57.399 56.400 -0.182 0.000 0.799 163 E CB -0.080 29.546 29.700 -0.124 0.000 0.752 163 E HN 0.411 nan 8.360 nan 0.000 0.449 164 N N -0.116 118.360 118.700 -0.374 0.000 2.459 164 N HA -0.064 4.676 4.740 -0.000 0.000 0.181 164 N C 0.790 176.075 175.510 -0.375 0.000 1.046 164 N CA 0.767 53.586 53.050 -0.385 0.000 0.904 164 N CB 0.234 38.399 38.487 -0.537 0.000 0.964 164 N HN 0.186 nan 8.380 nan 0.000 0.444 165 M N 0.086 119.411 119.600 -0.457 0.000 2.484 165 M HA 0.138 4.617 4.480 -0.000 0.000 0.307 165 M C 1.508 177.745 176.300 -0.105 0.000 1.149 165 M CA 0.097 55.255 55.300 -0.237 0.000 0.972 165 M CB -0.285 32.007 32.600 -0.513 0.000 1.400 165 M HN -0.029 nan 8.290 nan 0.000 0.508 166 S N 1.112 116.728 115.700 -0.141 0.000 2.399 166 S HA -0.180 4.289 4.470 -0.000 0.000 0.231 166 S C 1.412 175.970 174.600 -0.071 0.000 1.022 166 S CA 1.678 59.831 58.200 -0.078 0.000 0.983 166 S CB -0.552 62.602 63.200 -0.078 0.000 0.803 166 S HN 0.544 nan 8.310 nan 0.000 0.480 167 D N 1.804 122.112 120.400 -0.154 0.000 2.097 167 D HA -0.166 4.473 4.640 -0.000 0.000 0.195 167 D C 1.545 177.736 176.300 -0.182 0.000 0.989 167 D CA 1.032 54.899 54.000 -0.222 0.000 0.827 167 D CB -1.013 39.569 40.800 -0.365 0.000 0.966 167 D HN 0.466 nan 8.370 nan 0.000 0.456 168 F N 0.687 120.635 119.950 -0.003 0.000 2.171 168 F HA 0.041 4.567 4.527 -0.001 0.000 0.300 168 F C 2.586 178.382 175.800 -0.006 0.000 1.090 168 F CA 0.532 58.540 58.000 0.013 0.000 1.293 168 F CB -0.654 38.380 39.000 0.056 0.000 1.013 168 F HN -0.068 nan 8.300 nan 0.000 0.486 169 L N 0.032 121.352 121.223 0.161 0.000 2.046 169 L HA -0.194 4.146 4.340 -0.000 0.000 0.208 169 L C 2.640 179.554 176.870 0.073 0.000 1.077 169 L CA 1.836 56.742 54.840 0.110 0.000 0.747 169 L CB -0.721 41.406 42.059 0.113 0.000 0.896 169 L HN 0.236 nan 8.230 nan 0.000 0.432 170 E N 0.044 120.270 120.200 0.044 0.000 2.285 170 E HA -0.158 4.192 4.350 -0.000 0.000 0.194 170 E C 1.840 178.457 176.600 0.029 0.000 0.997 170 E CA 1.236 57.652 56.400 0.027 0.000 0.845 170 E CB -0.052 29.651 29.700 0.005 0.000 0.782 170 E HN 0.483 nan 8.360 nan 0.000 0.491 171 S N -0.194 115.531 115.700 0.041 0.000 2.607 171 S HA 0.209 4.678 4.470 -0.000 0.000 0.224 171 S C 1.531 176.172 174.600 0.067 0.000 0.969 171 S CA 0.369 58.599 58.200 0.051 0.000 0.927 171 S CB -0.087 63.149 63.200 0.060 0.000 0.772 171 S HN 0.541 nan 8.310 nan 0.000 0.533 172 G N 0.878 109.717 108.800 0.066 0.000 2.160 172 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.251 172 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.251 172 G C 0.387 175.326 174.900 0.064 0.000 1.008 172 G CA 0.425 45.559 45.100 0.057 0.000 0.724 172 G HN 0.655 nan 8.290 nan 0.000 0.514 173 L N -0.073 121.198 121.223 0.081 0.000 2.072 173 L HA 0.417 4.757 4.340 -0.000 0.000 0.205 173 L C 1.486 178.343 176.870 -0.023 0.000 1.079 173 L CA 1.340 56.209 54.840 0.048 0.000 0.752 173 L CB 0.039 42.141 42.059 0.072 0.000 0.906 173 L HN 0.357 nan 8.230 nan 0.000 0.436 174 I N 0.871 121.418 120.570 -0.038 0.000 2.325 174 I HA 0.099 4.269 4.170 -0.000 0.000 0.291 174 I C 1.039 177.128 176.117 -0.047 0.000 1.019 174 I CA -0.010 61.234 61.300 -0.093 0.000 1.302 174 I CB 1.174 39.116 38.000 -0.096 0.000 1.401 174 I HN 0.238 nan 8.210 nan 0.000 0.485 175 I N 1.653 122.190 120.570 -0.055 0.000 3.526 175 I HA 0.312 4.481 4.170 -0.000 0.000 0.294 175 I C -0.106 175.983 176.117 -0.047 0.000 1.229 175 I CA 0.051 61.342 61.300 -0.015 0.000 1.408 175 I CB 0.221 38.251 38.000 0.049 0.000 1.127 175 I HN 0.544 nan 8.210 nan 0.000 0.439 176 D N 0.646 120.972 120.400 -0.123 0.000 2.756 176 D HA 0.437 5.076 4.640 -0.000 0.000 0.226 176 D C -0.941 175.221 176.300 -0.230 0.000 1.186 176 D CA -0.565 53.347 54.000 -0.147 0.000 0.845 176 D CB 1.881 42.630 40.800 -0.084 0.000 1.610 176 D HN -0.050 nan 8.370 nan 0.000 0.465 177 I N 1.849 122.241 120.570 -0.296 0.000 2.330 177 I HA 0.218 4.387 4.170 -0.000 0.000 0.286 177 I C -0.078 175.872 176.117 -0.277 0.000 1.025 177 I CA -0.591 60.472 61.300 -0.394 0.000 1.197 177 I CB 0.979 38.553 38.000 -0.711 0.000 1.358 177 I HN 0.465 nan 8.210 nan 0.000 0.467 178 E N 5.813 125.871 120.200 -0.236 0.000 2.194 178 E HA 0.279 4.628 4.350 -0.000 0.000 0.284 178 E C -0.557 175.941 176.600 -0.170 0.000 1.035 178 E CA -0.503 55.794 56.400 -0.173 0.000 0.836 178 E CB 2.469 32.079 29.700 -0.150 0.000 1.070 178 E HN 0.232 nan 8.360 nan 0.000 0.401 179 V N 2.693 122.531 119.914 -0.127 0.000 2.385 179 V HA 0.228 4.347 4.120 -0.000 0.000 0.269 179 V C 0.904 176.955 176.094 -0.072 0.000 1.043 179 V CA -0.737 61.512 62.300 -0.085 0.000 0.906 179 V CB 1.103 32.891 31.823 -0.058 0.000 0.995 179 V HN 0.732 nan 8.190 nan 0.000 0.467 180 G N 4.149 112.915 108.800 -0.055 0.000 2.343 180 G HA2 0.385 4.344 3.960 -0.000 0.000 0.254 180 G HA3 0.385 4.344 3.960 -0.000 0.000 0.254 180 G C 0.288 175.197 174.900 0.015 0.000 1.277 180 G CA -0.181 44.911 45.100 -0.013 0.000 0.909 180 G HN 0.760 nan 8.290 nan 0.000 0.502 181 L N 2.130 123.296 121.223 -0.094 0.000 3.086 181 L HA 0.418 4.757 4.340 -0.000 0.000 0.274 181 L C 1.164 177.850 176.870 -0.307 0.000 1.184 181 L CA 0.309 55.107 54.840 -0.071 0.000 1.002 181 L CB 0.344 42.369 42.059 -0.056 0.000 1.383 181 L HN 0.790 nan 8.230 nan 0.000 0.582 182 G N -0.730 107.631 108.800 -0.732 0.000 2.494 182 G HA2 0.303 4.262 3.960 -0.000 0.000 0.308 182 G HA3 0.303 4.262 3.960 -0.000 0.000 0.308 182 G C -3.126 171.281 174.900 -0.822 0.000 1.263 182 G CA -0.658 43.733 45.100 -1.183 0.000 0.840 182 G HN -0.371 nan 8.290 nan 0.000 0.479 183 P HA 0.345 nan 4.420 nan 0.000 0.267 183 P C 0.729 177.786 177.300 -0.405 0.000 1.200 183 P CA 1.689 64.631 63.100 -0.263 0.000 0.772 183 P CB 1.108 32.688 31.700 -0.200 0.000 0.855 184 A N 2.578 125.121 122.820 -0.462 0.000 2.910 184 A HA -0.139 4.180 4.320 -0.000 0.000 0.267 184 A C 1.536 178.655 177.584 -0.775 0.000 1.310 184 A CA 1.913 53.658 52.037 -0.488 0.000 0.934 184 A CB -2.529 16.364 19.000 -0.180 0.000 1.057 184 A HN 1.166 nan 8.150 nan 0.000 0.742 185 G N -2.107 105.987 108.800 -1.178 0.000 2.162 185 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.260 185 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.260 185 G C -0.134 174.586 174.900 -0.301 0.000 0.976 185 G CA 1.097 45.853 45.100 -0.574 0.000 0.655 185 G HN 1.180 nan 8.290 nan 0.000 0.533 186 E N -0.689 119.334 120.200 -0.294 0.000 2.277 186 E HA 0.522 4.872 4.350 -0.000 0.000 0.274 186 E C 0.135 176.637 176.600 -0.163 0.000 1.022 186 E CA -0.993 55.311 56.400 -0.160 0.000 0.853 186 E CB 1.396 31.038 29.700 -0.096 0.000 1.086 186 E HN 0.171 nan 8.360 nan 0.000 0.397 187 L N 5.109 126.302 121.223 -0.050 0.000 2.462 187 L HA 0.162 4.501 4.340 -0.000 0.000 0.283 187 L C -0.356 176.481 176.870 -0.056 0.000 1.166 187 L CA 0.817 55.634 54.840 -0.038 0.000 0.964 187 L CB -0.967 41.125 42.059 0.054 0.000 1.294 187 L HN 0.549 nan 8.230 nan 0.000 0.449 188 R N 2.116 122.437 120.500 -0.298 0.000 2.780 188 R HA 0.344 4.683 4.340 -0.000 0.000 0.280 188 R C -1.594 174.352 176.300 -0.591 0.000 1.016 188 R CA -1.004 54.807 56.100 -0.481 0.000 0.854 188 R CB 0.401 30.481 30.300 -0.367 0.000 1.293 188 R HN 0.123 nan 8.270 nan 0.000 0.483 189 Y N 0.488 120.490 120.300 -0.497 0.000 2.335 189 Y HA 0.378 4.927 4.550 -0.001 0.000 0.323 189 Y C -1.637 173.974 175.900 -0.481 0.000 1.224 189 Y CA -2.291 55.447 58.100 -0.602 0.000 1.241 189 Y CB 1.157 39.314 38.460 -0.506 0.000 1.235 189 Y HN 0.407 nan 8.280 nan 0.000 0.492 190 P HA 0.032 nan 4.420 nan 0.000 0.226 190 P C 0.179 177.364 177.300 -0.190 0.000 1.783 190 P CA 0.110 63.043 63.100 -0.278 0.000 0.980 190 P CB -0.229 31.404 31.700 -0.113 0.000 1.967 191 S N -0.100 115.505 115.700 -0.158 0.000 2.481 191 S HA -0.118 4.351 4.470 -0.000 0.000 0.231 191 S C 0.699 175.335 174.600 0.061 0.000 0.996 191 S CA 0.236 58.461 58.200 0.042 0.000 0.942 191 S CB -1.036 62.215 63.200 0.084 0.000 0.768 191 S HN 0.401 nan 8.310 nan 0.000 0.520 192 Y N 0.129 120.212 120.300 -0.363 0.000 2.562 192 Y HA 0.654 5.204 4.550 -0.000 0.000 0.363 192 Y C -3.303 172.216 175.900 -0.634 0.000 0.991 192 Y CA -4.127 53.390 58.100 -0.972 0.000 1.121 192 Y CB -0.178 37.113 38.460 -1.948 0.000 1.159 192 Y HN -0.015 nan 8.280 nan 0.000 0.651 193 P HA 0.165 nan 4.420 nan 0.000 0.286 193 P C 0.318 177.584 177.300 -0.056 0.000 1.321 193 P CA -0.010 62.956 63.100 -0.224 0.000 0.790 193 P CB 1.830 33.397 31.700 -0.223 0.000 0.897 194 Q N 2.025 121.876 119.800 0.085 0.000 2.181 194 Q HA -0.161 4.179 4.340 -0.000 0.000 0.205 194 Q C 1.827 177.851 176.000 0.041 0.000 0.980 194 Q CA 2.177 58.075 55.803 0.158 0.000 0.862 194 Q CB -0.214 28.615 28.738 0.152 0.000 0.905 194 Q HN 0.579 nan 8.270 nan 0.000 0.429 195 S N -0.426 115.270 115.700 -0.007 0.000 2.537 195 S HA -0.139 4.331 4.470 -0.000 0.000 0.240 195 S C 1.237 175.812 174.600 -0.042 0.000 0.981 195 S CA 0.821 59.008 58.200 -0.022 0.000 0.948 195 S CB 0.074 63.259 63.200 -0.026 0.000 0.759 195 S HN 0.378 nan 8.310 nan 0.000 0.531 196 Q N -0.212 119.533 119.800 -0.092 0.000 2.139 196 Q HA 0.413 4.753 4.340 -0.000 0.000 0.219 196 Q C 1.196 177.143 176.000 -0.087 0.000 0.805 196 Q CA 0.201 55.936 55.803 -0.115 0.000 1.024 196 Q CB 1.161 29.757 28.738 -0.235 0.000 1.163 196 Q HN 0.655 nan 8.270 nan 0.000 0.485 197 G N 0.951 109.729 108.800 -0.036 0.000 2.659 197 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.202 197 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.202 197 G C -0.325 174.607 174.900 0.052 0.000 1.186 197 G CA -0.447 44.662 45.100 0.016 0.000 0.783 197 G HN 0.352 nan 8.290 nan 0.000 0.521 198 W N 3.835 125.047 121.300 -0.147 0.000 2.747 198 W HA 0.304 4.963 4.660 -0.001 0.000 0.316 198 W C 0.315 176.847 176.519 0.022 0.000 0.951 198 W CA 1.722 59.050 57.345 -0.028 0.000 1.160 198 W CB 0.228 29.656 29.460 -0.054 0.000 1.103 198 W HN 0.470 nan 8.180 nan 0.000 0.540 199 E N 6.197 125.872 120.200 -0.875 0.000 2.367 199 E HA 0.128 4.478 4.350 -0.000 0.000 0.273 199 E C 0.383 176.124 176.600 -1.431 0.000 0.903 199 E CA -1.046 54.819 56.400 -0.890 0.000 0.764 199 E CB 1.377 30.849 29.700 -0.380 0.000 1.252 199 E HN 0.302 nan 8.360 nan 0.000 0.446 200 F N 4.242 123.446 119.950 -1.243 0.000 2.397 200 F HA -0.209 4.317 4.527 -0.000 0.000 0.308 200 F C -1.171 174.032 175.800 -0.996 0.000 1.335 200 F CA 1.730 59.030 58.000 -1.166 0.000 1.282 200 F CB -1.412 37.199 39.000 -0.648 0.000 0.881 200 F HN 0.406 nan 8.300 nan 0.000 0.606 201 P HA 0.009 nan 4.420 nan 0.000 0.285 201 P C -0.477 176.709 177.300 -0.190 0.000 1.521 201 P CA 0.491 62.860 63.100 -1.220 0.000 0.792 201 P CB -0.311 30.777 31.700 -1.020 0.000 1.613 202 R N 0.436 120.848 120.500 -0.147 0.000 2.573 202 R HA 0.342 4.681 4.340 -0.000 0.000 0.272 202 R C 1.744 178.453 176.300 0.682 0.000 1.009 202 R CA -0.986 55.233 56.100 0.198 0.000 1.059 202 R CB -0.097 30.147 30.300 -0.093 0.000 1.112 202 R HN 0.093 nan 8.270 nan 0.000 0.517 203 I N -1.444 119.378 120.570 0.419 0.000 2.876 203 I HA 0.283 4.453 4.170 -0.000 0.000 0.264 203 I C 0.876 177.139 176.117 0.243 0.000 1.204 203 I CA 0.556 61.972 61.300 0.193 0.000 1.485 203 I CB -0.299 37.543 38.000 -0.263 0.000 1.103 203 I HN 0.622 nan 8.210 nan 0.000 0.446 204 G N 1.619 110.690 108.800 0.453 0.000 2.796 204 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.571 204 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.571 204 G C -0.827 174.092 174.900 0.032 0.000 1.370 204 G CA -0.437 44.910 45.100 0.411 0.000 0.856 204 G HN 0.549 nan 8.290 nan 0.000 0.538 205 E N -0.934 119.233 120.200 -0.054 0.000 2.288 205 E HA 0.559 4.909 4.350 -0.000 0.000 0.268 205 E C -0.633 175.862 176.600 -0.176 0.000 0.885 205 E CA -0.882 55.344 56.400 -0.289 0.000 0.767 205 E CB 1.471 30.845 29.700 -0.543 0.000 1.220 205 E HN 0.304 nan 8.360 nan 0.000 0.427 206 F N 1.605 121.524 119.950 -0.051 0.000 2.563 206 F HA -0.005 4.522 4.527 -0.000 0.000 0.363 206 F C 1.293 177.137 175.800 0.073 0.000 1.123 206 F CA 0.299 58.227 58.000 -0.120 0.000 1.307 206 F CB 0.465 39.252 39.000 -0.354 0.000 1.115 206 F HN 0.212 nan 8.300 nan 0.000 0.592 207 Q N 2.952 122.923 119.800 0.285 0.000 2.462 207 Q HA 0.205 4.544 4.340 -0.000 0.000 0.395 207 Q C -0.086 176.123 176.000 0.349 0.000 0.911 207 Q CA 0.032 56.014 55.803 0.298 0.000 1.112 207 Q CB 0.698 29.519 28.738 0.138 0.000 1.350 207 Q HN 0.799 nan 8.270 nan 0.000 0.407 208 C N -2.440 116.997 119.300 0.229 0.000 2.742 208 C HA 0.420 4.879 4.460 -0.000 0.000 0.283 208 C C 0.945 175.935 174.990 -0.001 0.000 1.451 208 C CA -0.647 58.496 59.018 0.209 0.000 1.785 208 C CB -1.682 26.243 27.740 0.309 0.000 2.664 208 C HN 0.371 nan 8.230 nan 0.000 0.544 209 Y N 2.343 122.789 120.300 0.242 0.000 2.511 209 Y HA 0.118 4.668 4.550 -0.001 0.000 0.279 209 Y C 1.235 177.251 175.900 0.193 0.000 1.157 209 Y CA 0.062 58.263 58.100 0.168 0.000 1.300 209 Y CB -0.394 38.125 38.460 0.098 0.000 1.052 209 Y HN 0.529 nan 8.280 nan 0.000 0.529 210 D N 0.570 121.181 120.400 0.352 0.000 2.378 210 D HA -0.069 4.570 4.640 -0.000 0.000 0.238 210 D C 1.347 177.774 176.300 0.212 0.000 1.180 210 D CA -0.231 53.945 54.000 0.294 0.000 0.895 210 D CB 0.701 41.704 40.800 0.338 0.000 1.192 210 D HN 0.237 nan 8.370 nan 0.000 0.438 211 K N 0.569 121.016 120.400 0.077 0.000 2.280 211 K HA -0.237 4.083 4.320 -0.000 0.000 0.202 211 K C 1.036 177.590 176.600 -0.077 0.000 1.047 211 K CA 1.033 57.280 56.287 -0.067 0.000 0.942 211 K CB -0.369 31.986 32.500 -0.241 0.000 0.739 211 K HN 0.613 nan 8.250 nan 0.000 0.457 212 Y N 1.429 121.816 120.300 0.145 0.000 2.243 212 Y HA 0.030 4.580 4.550 -0.001 0.000 0.293 212 Y C 2.278 178.315 175.900 0.228 0.000 1.124 212 Y CA 0.678 58.867 58.100 0.149 0.000 1.159 212 Y CB -0.166 38.363 38.460 0.114 0.000 1.008 212 Y HN -0.113 nan 8.280 nan 0.000 0.527 213 L N 0.174 121.664 121.223 0.444 0.000 2.056 213 L HA -0.231 4.109 4.340 -0.000 0.000 0.207 213 L C 2.506 179.681 176.870 0.510 0.000 1.078 213 L CA 1.572 56.735 54.840 0.539 0.000 0.749 213 L CB -0.451 41.937 42.059 0.549 0.000 0.901 213 L HN 0.196 nan 8.230 nan 0.000 0.433 214 K N 0.415 120.995 120.400 0.300 0.000 2.057 214 K HA -0.181 4.139 4.320 -0.000 0.000 0.207 214 K C 2.111 178.830 176.600 0.198 0.000 1.049 214 K CA 1.351 57.754 56.287 0.192 0.000 0.931 214 K CB -0.035 32.542 32.500 0.128 0.000 0.714 214 K HN 0.255 nan 8.250 nan 0.000 0.440 215 A N 1.054 123.977 122.820 0.172 0.000 1.930 215 A HA -0.201 4.119 4.320 -0.000 0.000 0.217 215 A C 1.781 179.464 177.584 0.165 0.000 1.175 215 A CA 2.046 54.162 52.037 0.131 0.000 0.627 215 A CB -0.651 18.406 19.000 0.095 0.000 0.815 215 A HN 0.559 nan 8.150 nan 0.000 0.443 216 D N -1.516 119.055 120.400 0.286 0.000 2.117 216 D HA -0.156 4.483 4.640 -0.000 0.000 0.198 216 D C 1.632 178.089 176.300 0.261 0.000 0.982 216 D CA 1.384 55.596 54.000 0.353 0.000 0.828 216 D CB -0.229 40.896 40.800 0.540 0.000 0.967 216 D HN 0.342 nan 8.370 nan 0.000 0.464 217 F N 1.435 121.360 119.950 -0.042 0.000 2.069 217 F HA -0.160 4.367 4.527 -0.000 0.000 0.298 217 F C 1.987 177.638 175.800 -0.248 0.000 1.113 217 F CA 1.394 59.021 58.000 -0.622 0.000 1.214 217 F CB -0.190 38.231 39.000 -0.965 0.000 0.978 217 F HN -0.168 nan 8.300 nan 0.000 0.474 218 K N 0.707 120.966 120.400 -0.235 0.000 2.063 218 K HA -0.135 4.185 4.320 -0.000 0.000 0.208 218 K C 2.314 178.777 176.600 -0.228 0.000 1.048 218 K CA 1.361 57.498 56.287 -0.251 0.000 0.928 218 K CB -1.284 31.189 32.500 -0.044 0.000 0.713 218 K HN 0.408 nan 8.250 nan 0.000 0.442 219 A N 1.340 124.096 122.820 -0.107 0.000 1.930 219 A HA -0.027 4.292 4.320 -0.000 0.000 0.217 219 A C 2.420 179.952 177.584 -0.087 0.000 1.175 219 A CA 1.869 53.867 52.037 -0.066 0.000 0.627 219 A CB -0.505 18.504 19.000 0.015 0.000 0.815 219 A HN 0.301 nan 8.150 nan 0.000 0.443 220 A N 0.080 122.849 122.820 -0.085 0.000 1.898 220 A HA 0.005 4.325 4.320 -0.000 0.000 0.216 220 A C 2.324 179.847 177.584 -0.101 0.000 1.181 220 A CA 2.082 54.132 52.037 0.021 0.000 0.620 220 A CB -1.249 17.859 19.000 0.181 0.000 0.819 220 A HN 1.134 nan 8.150 nan 0.000 0.442 221 V N -2.205 117.466 119.914 -0.404 0.000 2.407 221 V HA -0.096 4.024 4.120 -0.000 0.000 0.248 221 V C 2.514 178.328 176.094 -0.466 0.000 1.055 221 V CA 1.881 63.833 62.300 -0.579 0.000 1.049 221 V CB -1.567 29.902 31.823 -0.589 0.000 0.662 221 V HN 0.502 nan 8.190 nan 0.000 0.455 222 A N 0.883 123.504 122.820 -0.331 0.000 1.933 222 A HA -0.150 4.170 4.320 -0.000 0.000 0.218 222 A C 2.415 179.861 177.584 -0.230 0.000 1.175 222 A CA 1.911 53.786 52.037 -0.270 0.000 0.628 222 A CB -0.579 18.308 19.000 -0.188 0.000 0.814 222 A HN 0.599 nan 8.150 nan 0.000 0.444 223 R N -0.582 119.823 120.500 -0.160 0.000 2.148 223 R HA 0.016 4.356 4.340 -0.000 0.000 0.227 223 R C 2.216 178.442 176.300 -0.122 0.000 1.103 223 R CA 0.946 56.986 56.100 -0.099 0.000 0.983 223 R CB -0.348 29.943 30.300 -0.015 0.000 0.874 223 R HN 0.495 nan 8.270 nan 0.000 0.451 224 A N 0.155 122.859 122.820 -0.193 0.000 2.119 224 A HA 0.135 4.455 4.320 -0.000 0.000 0.216 224 A C 1.506 178.904 177.584 -0.309 0.000 1.152 224 A CA 1.148 53.060 52.037 -0.207 0.000 0.708 224 A CB -0.029 18.706 19.000 -0.442 0.000 0.805 224 A HN 0.456 nan 8.150 nan 0.000 0.460 225 G N -2.126 106.411 108.800 -0.438 0.000 2.154 225 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.186 225 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.186 225 G C -0.088 174.170 174.900 -1.070 0.000 1.000 225 G CA 0.129 44.863 45.100 -0.609 0.000 0.664 225 G HN 0.632 nan 8.290 nan 0.000 0.513 226 H N -0.226 118.377 119.070 -0.778 0.000 2.439 226 H HA 0.224 4.780 4.556 -0.000 0.000 0.228 226 H C -2.030 172.846 175.328 -0.754 0.000 1.423 226 H CA -0.834 54.589 56.048 -1.042 0.000 1.386 226 H CB 1.583 29.886 29.762 -2.432 0.000 1.641 226 H HN 0.141 nan 8.280 nan 0.000 0.508 227 P HA -0.188 nan 4.420 nan 0.000 0.221 227 P C 1.598 178.798 177.300 -0.166 0.000 1.145 227 P CA 1.178 64.121 63.100 -0.262 0.000 0.795 227 P CB 0.405 31.983 31.700 -0.203 0.000 0.775 228 E N -1.566 118.543 120.200 -0.151 0.000 2.358 228 E HA -0.127 4.223 4.350 -0.000 0.000 0.195 228 E C 0.255 176.940 176.600 0.143 0.000 1.010 228 E CA 0.203 56.595 56.400 -0.013 0.000 0.856 228 E CB -0.713 28.990 29.700 0.004 0.000 0.795 228 E HN 0.155 nan 8.360 nan 0.000 0.504 229 W N 2.335 123.615 121.300 -0.034 0.000 2.193 229 W HA 0.169 4.829 4.660 -0.000 0.000 0.338 229 W C 0.899 177.465 176.519 0.079 0.000 1.310 229 W CA -0.339 57.000 57.345 -0.010 0.000 1.243 229 W CB 0.239 29.663 29.460 -0.060 0.000 1.165 229 W HN -0.052 nan 8.180 nan 0.000 0.566 230 E N 1.068 121.468 120.200 0.333 0.000 2.299 230 E HA 0.356 4.706 4.350 -0.000 0.000 0.260 230 E C -0.409 176.216 176.600 0.042 0.000 0.944 230 E CA -1.225 55.315 56.400 0.234 0.000 0.815 230 E CB 1.761 31.506 29.700 0.075 0.000 1.252 230 E HN -0.034 nan 8.360 nan 0.000 0.418 231 L N 2.159 123.240 121.223 -0.236 0.000 2.464 231 L HA 0.223 4.563 4.340 -0.000 0.000 0.264 231 L C -1.959 174.575 176.870 -0.559 0.000 1.199 231 L CA -1.596 52.788 54.840 -0.761 0.000 0.818 231 L CB -0.951 40.684 42.059 -0.706 0.000 1.102 231 L HN 0.218 nan 8.230 nan 0.000 0.473 232 P HA 0.088 nan 4.420 nan 0.000 0.265 232 P C -0.410 176.729 177.300 -0.268 0.000 1.193 232 P CA 0.084 62.817 63.100 -0.611 0.000 0.765 232 P CB 0.426 31.512 31.700 -1.024 0.000 0.823 233 D N 0.479 120.770 120.400 -0.181 0.000 2.556 233 D HA -0.006 4.634 4.640 -0.000 0.000 0.237 233 D C -0.256 175.993 176.300 -0.086 0.000 1.296 233 D CA -0.024 53.909 54.000 -0.113 0.000 0.807 233 D CB -0.220 40.531 40.800 -0.081 0.000 1.084 233 D HN 0.267 nan 8.370 nan 0.000 0.510 234 D N -0.036 120.322 120.400 -0.069 0.000 2.599 234 D HA 0.277 4.917 4.640 -0.000 0.000 0.249 234 D C 1.024 177.328 176.300 0.007 0.000 1.313 234 D CA -0.398 53.590 54.000 -0.022 0.000 0.815 234 D CB 0.247 41.050 40.800 0.006 0.000 1.077 234 D HN 0.138 nan 8.370 nan 0.000 0.492 235 A N 0.272 123.061 122.820 -0.051 0.000 2.275 235 A HA 0.607 4.927 4.320 -0.000 0.000 0.212 235 A C 1.430 179.038 177.584 0.040 0.000 1.201 235 A CA 0.578 52.603 52.037 -0.020 0.000 0.843 235 A CB -0.315 18.595 19.000 -0.149 0.000 0.873 235 A HN 0.612 nan 8.150 nan 0.000 0.492 236 G N -0.285 108.504 108.800 -0.019 0.000 2.527 236 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.227 236 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.227 236 G C -0.375 174.469 174.900 -0.092 0.000 1.291 236 G CA -0.064 45.018 45.100 -0.029 0.000 0.904 236 G HN 0.662 nan 8.290 nan 0.000 0.577 237 K N -1.263 119.090 120.400 -0.079 0.000 2.409 237 K HA 0.620 4.940 4.320 -0.000 0.000 0.252 237 K C 0.727 177.291 176.600 -0.059 0.000 1.036 237 K CA -0.894 55.306 56.287 -0.144 0.000 0.871 237 K CB 1.137 33.583 32.500 -0.089 0.000 1.374 237 K HN 0.337 nan 8.250 nan 0.000 0.459 238 Y N 1.068 121.437 120.300 0.115 0.000 2.073 238 Y HA -0.307 4.243 4.550 0.000 0.000 0.270 238 Y C 1.265 177.303 175.900 0.230 0.000 1.226 238 Y CA 2.141 60.391 58.100 0.251 0.000 1.117 238 Y CB -0.649 38.002 38.460 0.318 0.000 0.939 238 Y HN 0.616 nan 8.280 nan 0.000 0.504 239 N N -0.345 118.502 118.700 0.246 0.000 2.251 239 N HA 0.028 4.768 4.740 -0.000 0.000 0.217 239 N C -0.608 174.931 175.510 0.048 0.000 1.124 239 N CA -0.267 52.836 53.050 0.088 0.000 0.843 239 N CB 0.189 38.679 38.487 0.006 0.000 1.024 239 N HN 0.182 nan 8.380 nan 0.000 0.501 240 D N 0.686 121.110 120.400 0.039 0.000 2.371 240 D HA 0.079 4.719 4.640 -0.000 0.000 0.242 240 D C 0.314 176.572 176.300 -0.070 0.000 1.218 240 D CA -0.053 53.936 54.000 -0.018 0.000 0.945 240 D CB 1.143 41.924 40.800 -0.032 0.000 1.137 240 D HN -0.103 nan 8.370 nan 0.000 0.464 241 V N -1.611 118.219 119.914 -0.139 0.000 2.732 241 V HA 0.385 4.505 4.120 -0.000 0.000 0.310 241 V C -2.010 173.823 176.094 -0.435 0.000 1.053 241 V CA -1.564 60.517 62.300 -0.366 0.000 0.957 241 V CB 1.604 33.313 31.823 -0.190 0.000 1.018 241 V HN 0.292 nan 8.190 nan 0.000 0.452 242 P HA -0.161 nan 4.420 nan 0.000 0.215 242 P C 1.424 178.632 177.300 -0.153 0.000 1.157 242 P CA 1.798 64.635 63.100 -0.440 0.000 0.868 242 P CB 0.051 31.395 31.700 -0.593 0.000 0.788 243 E N 0.373 120.468 120.200 -0.173 0.000 2.333 243 E HA -0.124 4.225 4.350 -0.000 0.000 0.198 243 E C 1.475 178.055 176.600 -0.033 0.000 1.007 243 E CA 1.418 57.782 56.400 -0.061 0.000 0.845 243 E CB -1.024 28.651 29.700 -0.041 0.000 0.766 243 E HN 0.316 nan 8.360 nan 0.000 0.507 244 S N 0.626 116.294 115.700 -0.053 0.000 2.671 244 S HA 0.016 4.486 4.470 -0.000 0.000 0.220 244 S C 0.592 175.194 174.600 0.004 0.000 0.951 244 S CA 0.079 58.265 58.200 -0.023 0.000 0.932 244 S CB -0.478 62.705 63.200 -0.028 0.000 0.777 244 S HN 0.359 nan 8.310 nan 0.000 0.508 245 T N -3.370 111.205 114.554 0.035 0.000 2.887 245 T HA 0.683 5.032 4.350 -0.000 0.000 0.288 245 T C 1.270 176.013 174.700 0.072 0.000 1.021 245 T CA -0.232 61.913 62.100 0.075 0.000 1.000 245 T CB 1.267 70.242 68.868 0.178 0.000 1.034 245 T HN 0.035 nan 8.240 nan 0.000 0.467 246 G N 0.402 109.232 108.800 0.050 0.000 2.422 246 G HA2 -0.075 3.885 3.960 -0.000 0.000 0.218 246 G HA3 -0.075 3.885 3.960 -0.000 0.000 0.218 246 G C 0.965 175.876 174.900 0.017 0.000 1.140 246 G CA 0.222 45.337 45.100 0.026 0.000 0.775 246 G HN 0.697 nan 8.290 nan 0.000 0.545 247 F N 0.287 120.155 119.950 -0.137 0.000 2.128 247 F HA 0.178 4.705 4.527 0.000 0.000 0.295 247 F C 1.796 177.472 175.800 -0.207 0.000 1.100 247 F CA 1.060 58.881 58.000 -0.299 0.000 1.260 247 F CB 0.129 38.771 39.000 -0.596 0.000 1.009 247 F HN 0.104 nan 8.300 nan 0.000 0.476 248 F N 0.382 120.417 119.950 0.143 0.000 2.721 248 F HA 0.165 4.691 4.527 -0.000 0.000 0.301 248 F C 0.873 176.668 175.800 -0.008 0.000 1.096 248 F CA -0.427 57.549 58.000 -0.040 0.000 1.308 248 F CB -0.709 38.222 39.000 -0.115 0.000 1.086 248 F HN -0.212 nan 8.300 nan 0.000 0.587 249 K N 0.398 120.901 120.400 0.173 0.000 2.156 249 K HA 0.264 4.584 4.320 -0.000 0.000 0.242 249 K C 0.360 177.072 176.600 0.186 0.000 1.033 249 K CA -0.416 55.947 56.287 0.126 0.000 0.878 249 K CB -0.563 31.976 32.500 0.064 0.000 1.057 249 K HN 0.028 nan 8.250 nan 0.000 0.505 250 S N 0.770 116.547 115.700 0.128 0.000 2.560 250 S HA 0.093 4.563 4.470 -0.000 0.000 0.284 250 S C -0.080 174.549 174.600 0.049 0.000 1.327 250 S CA -0.371 57.901 58.200 0.122 0.000 1.055 250 S CB -0.169 63.077 63.200 0.077 0.000 0.868 250 S HN 0.653 nan 8.310 nan 0.000 0.506 251 N N -0.243 118.451 118.700 -0.009 0.000 2.753 251 N HA -0.128 4.612 4.740 -0.000 0.000 0.251 251 N C 0.510 175.957 175.510 -0.105 0.000 1.097 251 N CA 1.256 54.257 53.050 -0.082 0.000 0.786 251 N CB -1.732 36.725 38.487 -0.049 0.000 1.137 251 N HN 0.952 nan 8.380 nan 0.000 0.566 252 G N -0.490 108.271 108.800 -0.065 0.000 2.570 252 G HA2 0.246 4.206 3.960 -0.000 0.000 0.276 252 G HA3 0.246 4.206 3.960 -0.000 0.000 0.276 252 G C 1.149 175.887 174.900 -0.269 0.000 1.346 252 G CA 0.607 45.651 45.100 -0.093 0.000 1.034 252 G HN 0.137 nan 8.290 nan 0.000 0.512 253 T N -0.156 114.191 114.554 -0.345 0.000 2.759 253 T HA -0.240 4.110 4.350 -0.000 0.000 0.269 253 T C 2.032 176.294 174.700 -0.731 0.000 1.042 253 T CA 2.175 63.978 62.100 -0.494 0.000 1.140 253 T CB -0.485 68.120 68.868 -0.438 0.000 0.864 253 T HN 0.640 nan 8.240 nan 0.000 0.455 254 Y N 2.346 121.937 120.300 -1.181 0.000 2.365 254 Y HA -0.051 4.499 4.550 -0.000 0.000 0.287 254 Y C 1.866 177.579 175.900 -0.311 0.000 1.162 254 Y CA 0.396 57.955 58.100 -0.903 0.000 1.260 254 Y CB -1.078 36.980 38.460 -0.670 0.000 0.976 254 Y HN 0.203 nan 8.280 nan 0.000 0.548 255 V N -3.039 116.364 119.914 -0.852 0.000 3.578 255 V HA 0.287 4.406 4.120 -0.000 0.000 0.290 255 V C 0.604 176.498 176.094 -0.332 0.000 1.376 255 V CA 0.034 61.971 62.300 -0.605 0.000 1.083 255 V CB -0.911 30.523 31.823 -0.648 0.000 0.911 255 V HN 0.278 nan 8.190 nan 0.000 0.433 256 T N 0.848 115.211 114.554 -0.319 0.000 2.788 256 T HA 0.217 4.567 4.350 -0.000 0.000 0.280 256 T C 1.160 175.752 174.700 -0.179 0.000 0.984 256 T CA -0.152 61.811 62.100 -0.227 0.000 0.972 256 T CB 1.164 69.881 68.868 -0.251 0.000 1.039 256 T HN 0.332 nan 8.240 nan 0.000 0.530 257 E N 0.901 121.013 120.200 -0.146 0.000 2.038 257 E HA -0.186 4.164 4.350 -0.000 0.000 0.195 257 E C 2.103 178.536 176.600 -0.278 0.000 1.000 257 E CA 1.279 57.624 56.400 -0.091 0.000 0.803 257 E CB -0.187 29.501 29.700 -0.020 0.000 0.750 257 E HN 0.553 nan 8.360 nan 0.000 0.448 258 K N 0.290 120.271 120.400 -0.698 0.000 2.032 258 K HA -0.140 4.179 4.320 -0.000 0.000 0.209 258 K C 2.212 178.559 176.600 -0.422 0.000 1.048 258 K CA 1.588 57.129 56.287 -1.243 0.000 0.927 258 K CB -0.347 31.401 32.500 -1.254 0.000 0.712 258 K HN 0.153 nan 8.250 nan 0.000 0.441 259 G N 0.834 109.480 108.800 -0.257 0.000 2.402 259 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.216 259 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.216 259 G C 1.306 176.257 174.900 0.086 0.000 1.162 259 G CA 0.748 45.822 45.100 -0.043 0.000 0.777 259 G HN 0.257 nan 8.290 nan 0.000 0.539 260 K N -0.436 119.991 120.400 0.046 0.000 2.026 260 K HA 0.030 4.350 4.320 -0.000 0.000 0.208 260 K C 2.051 178.758 176.600 0.179 0.000 1.048 260 K CA 0.983 57.362 56.287 0.154 0.000 0.929 260 K CB -0.406 32.196 32.500 0.170 0.000 0.713 260 K HN 0.266 nan 8.250 nan 0.000 0.439 261 F N 0.894 120.893 119.950 0.083 0.000 2.065 261 F HA -0.288 4.239 4.527 -0.000 0.000 0.298 261 F C 2.027 177.974 175.800 0.246 0.000 1.112 261 F CA 1.529 59.638 58.000 0.181 0.000 1.212 261 F CB -0.429 38.700 39.000 0.215 0.000 0.975 261 F HN 0.023 nan 8.300 nan 0.000 0.476 262 F N 0.869 120.988 119.950 0.281 0.000 2.065 262 F HA -0.248 4.279 4.527 -0.001 0.000 0.298 262 F C 1.934 177.778 175.800 0.073 0.000 1.112 262 F CA 2.028 60.152 58.000 0.205 0.000 1.212 262 F CB -0.872 38.084 39.000 -0.073 0.000 0.975 262 F HN -0.012 nan 8.300 nan 0.000 0.476 263 L N -0.597 120.411 121.223 -0.358 0.000 2.083 263 L HA -0.210 4.130 4.340 -0.000 0.000 0.209 263 L C 2.321 178.890 176.870 -0.502 0.000 1.083 263 L CA 1.687 56.129 54.840 -0.663 0.000 0.752 263 L CB -1.167 40.301 42.059 -0.985 0.000 0.899 263 L HN 0.181 nan 8.230 nan 0.000 0.433 264 T N -1.335 113.094 114.554 -0.208 0.000 2.737 264 T HA -0.229 4.121 4.350 -0.000 0.000 0.265 264 T C 1.347 176.016 174.700 -0.052 0.000 1.038 264 T CA 1.355 63.466 62.100 0.018 0.000 1.144 264 T CB -0.400 68.501 68.868 0.055 0.000 0.866 264 T HN 0.506 nan 8.240 nan 0.000 0.434 265 W N 1.101 122.207 121.300 -0.323 0.000 2.302 265 W HA -0.297 4.363 4.660 -0.000 0.000 0.320 265 W C 2.109 178.559 176.519 -0.116 0.000 1.241 265 W CA 1.333 58.553 57.345 -0.209 0.000 1.264 265 W CB -0.799 28.604 29.460 -0.096 0.000 1.154 265 W HN 0.302 nan 8.180 nan 0.000 0.483 266 Y N 1.871 121.899 120.300 -0.454 0.000 2.128 266 Y HA -0.304 4.246 4.550 -0.000 0.000 0.284 266 Y C 2.962 178.674 175.900 -0.313 0.000 1.154 266 Y CA 3.289 60.985 58.100 -0.674 0.000 1.149 266 Y CB -0.961 36.961 38.460 -0.897 0.000 0.976 266 Y HN 0.081 nan 8.280 nan 0.000 0.505 267 S N -0.709 114.918 115.700 -0.122 0.000 2.402 267 S HA -0.183 4.287 4.470 -0.000 0.000 0.229 267 S C 1.657 176.209 174.600 -0.079 0.000 1.021 267 S CA 1.371 59.546 58.200 -0.042 0.000 0.974 267 S CB -0.877 62.391 63.200 0.113 0.000 0.800 267 S HN 0.642 nan 8.310 nan 0.000 0.484 268 N N 1.357 119.989 118.700 -0.113 0.000 2.270 268 N HA 0.010 4.750 4.740 -0.000 0.000 0.181 268 N C 1.642 177.057 175.510 -0.159 0.000 1.016 268 N CA 0.738 53.727 53.050 -0.102 0.000 0.870 268 N CB -0.034 38.406 38.487 -0.079 0.000 0.979 268 N HN 0.306 nan 8.380 nan 0.000 0.431 269 K N 1.182 121.405 120.400 -0.295 0.000 2.103 269 K HA -0.115 4.204 4.320 -0.000 0.000 0.207 269 K C 1.961 178.456 176.600 -0.176 0.000 1.048 269 K CA 0.745 56.868 56.287 -0.273 0.000 0.930 269 K CB -0.340 31.918 32.500 -0.404 0.000 0.716 269 K HN 0.307 nan 8.250 nan 0.000 0.444 270 L N 0.652 121.745 121.223 -0.218 0.000 2.005 270 L HA -0.172 4.167 4.340 -0.000 0.000 0.207 270 L C 2.543 179.397 176.870 -0.028 0.000 1.072 270 L CA 1.018 55.748 54.840 -0.182 0.000 0.744 270 L CB -0.587 41.328 42.059 -0.241 0.000 0.895 270 L HN 0.133 nan 8.230 nan 0.000 0.433 271 L N -0.101 121.108 121.223 -0.024 0.000 1.997 271 L HA -0.305 4.035 4.340 -0.000 0.000 0.216 271 L C 2.170 179.053 176.870 0.022 0.000 1.074 271 L CA 2.093 56.939 54.840 0.010 0.000 0.763 271 L CB -0.790 41.273 42.059 0.006 0.000 0.890 271 L HN 0.410 nan 8.230 nan 0.000 0.434 272 N N -1.621 117.087 118.700 0.014 0.000 2.188 272 N HA -0.218 4.521 4.740 -0.000 0.000 0.184 272 N C 1.810 177.355 175.510 0.059 0.000 1.018 272 N CA 0.928 53.996 53.050 0.031 0.000 0.858 272 N CB -0.240 38.260 38.487 0.022 0.000 0.989 272 N HN 0.351 nan 8.380 nan 0.000 0.426 273 H N 0.185 119.229 119.070 -0.044 0.000 2.289 273 H HA -0.065 4.491 4.556 -0.001 0.000 0.296 273 H C 2.163 177.473 175.328 -0.030 0.000 1.091 273 H CA 2.168 58.197 56.048 -0.031 0.000 1.274 273 H CB -0.660 29.072 29.762 -0.050 0.000 1.364 273 H HN 0.213 nan 8.280 nan 0.000 0.490 274 G N -0.562 108.231 108.800 -0.011 0.000 2.418 274 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.217 274 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.217 274 G C 1.566 176.398 174.900 -0.113 0.000 1.158 274 G CA 0.978 46.014 45.100 -0.106 0.000 0.771 274 G HN 0.518 nan 8.290 nan 0.000 0.545 275 D N 0.151 120.538 120.400 -0.021 0.000 2.097 275 D HA -0.089 4.550 4.640 -0.000 0.000 0.195 275 D C 2.604 178.921 176.300 0.028 0.000 0.989 275 D CA 1.073 55.110 54.000 0.063 0.000 0.827 275 D CB -0.210 40.652 40.800 0.103 0.000 0.966 275 D HN 0.395 nan 8.370 nan 0.000 0.456 276 Q N -0.508 119.287 119.800 -0.008 0.000 2.084 276 Q HA -0.090 4.249 4.340 -0.000 0.000 0.202 276 Q C 2.479 178.445 176.000 -0.058 0.000 0.978 276 Q CA 0.988 56.783 55.803 -0.013 0.000 0.844 276 Q CB 0.013 28.742 28.738 -0.015 0.000 0.898 276 Q HN 0.421 nan 8.270 nan 0.000 0.426 277 I N 0.330 120.819 120.570 -0.135 0.000 2.353 277 I HA -0.252 3.918 4.170 -0.000 0.000 0.248 277 I C 2.061 178.097 176.117 -0.136 0.000 1.119 277 I CA 0.794 62.008 61.300 -0.142 0.000 1.417 277 I CB -0.114 37.741 38.000 -0.242 0.000 1.078 277 I HN 0.190 nan 8.210 nan 0.000 0.421 278 L N 0.217 121.294 121.223 -0.243 0.000 2.131 278 L HA -0.236 4.103 4.340 -0.000 0.000 0.210 278 L C 2.117 178.827 176.870 -0.267 0.000 1.092 278 L CA 1.111 55.717 54.840 -0.390 0.000 0.759 278 L CB -0.610 40.906 42.059 -0.905 0.000 0.903 278 L HN 0.291 nan 8.230 nan 0.000 0.435 279 D N -0.163 120.180 120.400 -0.096 0.000 2.097 279 D HA -0.175 4.465 4.640 -0.000 0.000 0.195 279 D C 2.160 178.496 176.300 0.059 0.000 0.989 279 D CA 1.055 55.116 54.000 0.101 0.000 0.827 279 D CB 0.097 40.961 40.800 0.106 0.000 0.966 279 D HN 0.227 nan 8.370 nan 0.000 0.456 280 E N 0.521 120.735 120.200 0.022 0.000 2.110 280 E HA -0.093 4.257 4.350 -0.000 0.000 0.193 280 E C 2.023 178.658 176.600 0.058 0.000 0.988 280 E CA 0.739 57.158 56.400 0.032 0.000 0.804 280 E CB -0.324 29.387 29.700 0.019 0.000 0.745 280 E HN 0.224 nan 8.360 nan 0.000 0.458 281 A N 1.561 124.428 122.820 0.078 0.000 1.930 281 A HA -0.170 4.150 4.320 -0.000 0.000 0.217 281 A C 2.074 179.805 177.584 0.245 0.000 1.175 281 A CA 1.394 53.548 52.037 0.195 0.000 0.627 281 A CB -0.559 18.530 19.000 0.149 0.000 0.815 281 A HN 0.218 nan 8.150 nan 0.000 0.443 282 N N 0.501 119.294 118.700 0.155 0.000 2.142 282 N HA -0.196 4.544 4.740 -0.000 0.000 0.186 282 N C 1.891 177.487 175.510 0.143 0.000 1.023 282 N CA 1.778 54.936 53.050 0.179 0.000 0.852 282 N CB -0.170 38.433 38.487 0.193 0.000 0.998 282 N HN 0.736 nan 8.380 nan 0.000 0.424 283 K N 0.397 120.853 120.400 0.093 0.000 2.103 283 K HA 0.037 4.356 4.320 -0.000 0.000 0.204 283 K C 1.955 178.551 176.600 -0.007 0.000 1.052 283 K CA 1.171 57.487 56.287 0.049 0.000 0.945 283 K CB -0.212 32.310 32.500 0.037 0.000 0.722 283 K HN 0.035 nan 8.250 nan 0.000 0.443 284 A N 0.678 123.462 122.820 -0.059 0.000 1.972 284 A HA -0.026 4.294 4.320 -0.000 0.000 0.219 284 A C 1.236 178.569 177.584 -0.419 0.000 1.169 284 A CA 0.913 52.785 52.037 -0.274 0.000 0.635 284 A CB -0.445 18.305 19.000 -0.416 0.000 0.810 284 A HN 0.398 nan 8.150 nan 0.000 0.446 285 F N -1.359 118.618 119.950 0.046 0.000 2.653 285 F HA 0.341 4.867 4.527 -0.001 0.000 0.304 285 F C 0.405 176.228 175.800 0.038 0.000 1.092 285 F CA -1.124 56.903 58.000 0.045 0.000 1.279 285 F CB -0.001 39.026 39.000 0.045 0.000 1.044 285 F HN 0.076 nan 8.300 nan 0.000 0.564 286 L N 0.828 122.133 121.223 0.136 0.000 2.615 286 L HA 0.287 4.627 4.340 -0.000 0.000 0.284 286 L C 1.273 178.193 176.870 0.082 0.000 1.237 286 L CA 1.369 56.271 54.840 0.103 0.000 0.905 286 L CB 0.127 42.225 42.059 0.065 0.000 1.149 286 L HN 0.497 nan 8.230 nan 0.000 0.499 287 G N 2.058 110.901 108.800 0.072 0.000 2.268 287 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.240 287 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.240 287 G C 0.521 175.460 174.900 0.065 0.000 1.010 287 G CA 0.027 45.159 45.100 0.053 0.000 0.618 287 G HN 0.850 nan 8.290 nan 0.000 0.516 288 C N 2.589 121.953 119.300 0.107 0.000 2.605 288 C HA 0.470 4.930 4.460 -0.000 0.000 0.404 288 C C 1.127 176.164 174.990 0.078 0.000 1.284 288 C CA -0.488 58.598 59.018 0.114 0.000 2.199 288 C CB 0.871 28.736 27.740 0.209 0.000 2.647 288 C HN 0.429 nan 8.230 nan 0.000 0.604 289 K N 2.717 123.151 120.400 0.057 0.000 2.121 289 K HA 0.335 4.655 4.320 -0.000 0.000 0.235 289 K C -0.160 176.460 176.600 0.034 0.000 1.200 289 K CA 0.186 56.497 56.287 0.040 0.000 1.115 289 K CB -0.570 31.950 32.500 0.033 0.000 1.474 289 K HN 0.637 nan 8.250 nan 0.000 0.295 290 V N -2.137 117.790 119.914 0.022 0.000 3.206 290 V HA 0.533 4.653 4.120 -0.000 0.000 0.305 290 V C -1.090 174.994 176.094 -0.015 0.000 1.257 290 V CA -1.341 60.949 62.300 -0.017 0.000 1.057 290 V CB 2.358 34.119 31.823 -0.103 0.000 1.075 290 V HN 0.217 nan 8.190 nan 0.000 0.443 291 K N 1.212 121.594 120.400 -0.030 0.000 2.281 291 K HA 0.725 5.045 4.320 -0.000 0.000 0.242 291 K C -1.187 175.364 176.600 -0.082 0.000 0.971 291 K CA -0.674 55.595 56.287 -0.029 0.000 0.834 291 K CB 2.574 35.070 32.500 -0.006 0.000 1.181 291 K HN 0.676 nan 8.250 nan 0.000 0.435 292 L N 0.865 122.049 121.223 -0.065 0.000 2.375 292 L HA 0.709 5.049 4.340 -0.000 0.000 0.268 292 L C -0.042 176.780 176.870 -0.081 0.000 1.058 292 L CA -0.800 53.982 54.840 -0.098 0.000 0.803 292 L CB 1.579 43.602 42.059 -0.061 0.000 1.212 292 L HN 0.719 nan 8.230 nan 0.000 0.451 293 A N 2.052 124.815 122.820 -0.095 0.000 2.594 293 A HA 0.830 5.150 4.320 -0.000 0.000 0.295 293 A C -1.123 176.417 177.584 -0.074 0.000 1.071 293 A CA -0.485 51.511 52.037 -0.069 0.000 0.685 293 A CB 1.880 20.847 19.000 -0.055 0.000 1.285 293 A HN 0.700 nan 8.150 nan 0.000 0.405 294 I N -1.937 118.602 120.570 -0.051 0.000 3.002 294 I HA 0.756 4.926 4.170 -0.000 0.000 0.310 294 I C -0.787 175.315 176.117 -0.025 0.000 1.087 294 I CA -0.983 60.288 61.300 -0.049 0.000 1.017 294 I CB 2.321 40.294 38.000 -0.046 0.000 1.226 294 I HN 0.469 nan 8.210 nan 0.000 0.443 295 K N 2.810 123.193 120.400 -0.029 0.000 2.244 295 K HA 0.699 5.018 4.320 -0.000 0.000 0.260 295 K C -1.448 175.167 176.600 0.026 0.000 0.951 295 K CA -0.850 55.429 56.287 -0.014 0.000 0.826 295 K CB 2.559 35.029 32.500 -0.050 0.000 1.108 295 K HN 0.440 nan 8.250 nan 0.000 0.433 296 V N 1.959 121.909 119.914 0.059 0.000 2.409 296 V HA 0.168 4.288 4.120 -0.000 0.000 0.291 296 V C 0.040 176.165 176.094 0.051 0.000 1.020 296 V CA -0.653 61.721 62.300 0.123 0.000 0.848 296 V CB 1.716 33.619 31.823 0.133 0.000 0.990 296 V HN 0.813 nan 8.190 nan 0.000 0.430 297 S N 3.384 119.190 115.700 0.177 0.000 2.585 297 S HA 0.452 4.922 4.470 -0.000 0.000 0.273 297 S C 0.599 175.174 174.600 -0.043 0.000 1.339 297 S CA 0.091 58.342 58.200 0.085 0.000 1.028 297 S CB 0.850 64.220 63.200 0.283 0.000 0.906 297 S HN 1.061 nan 8.310 nan 0.000 0.528 298 G N 3.712 112.370 108.800 -0.237 0.000 2.741 298 G HA2 0.513 4.473 3.960 -0.000 0.000 0.336 298 G HA3 0.513 4.473 3.960 -0.000 0.000 0.336 298 G C -0.481 174.463 174.900 0.073 0.000 1.022 298 G CA -0.508 44.469 45.100 -0.204 0.000 1.193 298 G HN 0.721 nan 8.290 nan 0.000 0.455 299 I N 3.003 123.584 120.570 0.019 0.000 2.268 299 I HA 0.147 4.317 4.170 -0.000 0.000 0.290 299 I C 1.208 177.152 176.117 -0.289 0.000 1.125 299 I CA -0.654 60.378 61.300 -0.447 0.000 1.236 299 I CB 0.489 38.160 38.000 -0.547 0.000 1.469 299 I HN 0.786 nan 8.210 nan 0.000 0.512 300 H N 2.419 121.481 119.070 -0.013 0.000 2.525 300 H HA 0.026 4.582 4.556 -0.001 0.000 0.275 300 H C 0.216 175.659 175.328 0.192 0.000 0.984 300 H CA -0.668 55.445 56.048 0.108 0.000 1.264 300 H CB -0.355 29.481 29.762 0.123 0.000 1.432 300 H HN 0.592 nan 8.280 nan 0.000 0.549 301 W N 0.386 121.436 121.300 -0.416 0.000 2.303 301 W HA 0.257 4.917 4.660 -0.001 0.000 0.318 301 W C -0.609 175.773 176.519 -0.227 0.000 1.362 301 W CA -1.251 55.826 57.345 -0.447 0.000 1.234 301 W CB 0.150 29.171 29.460 -0.731 0.000 1.248 301 W HN 0.389 nan 8.180 nan 0.000 0.546 302 W N 1.144 122.461 121.300 0.029 0.000 2.046 302 W HA -0.375 4.285 4.660 -0.001 0.000 0.263 302 W C 1.348 177.751 176.519 -0.193 0.000 1.048 302 W CA 0.518 57.801 57.345 -0.104 0.000 0.474 302 W CB -2.409 26.947 29.460 -0.173 0.000 2.069 302 W HN 0.699 nan 8.180 nan 0.000 1.264 303 Y N 1.622 121.874 120.300 -0.080 0.000 2.274 303 Y HA -0.113 4.436 4.550 -0.000 0.000 0.290 303 Y C 2.013 177.726 175.900 -0.313 0.000 1.145 303 Y CA 2.280 60.287 58.100 -0.156 0.000 1.203 303 Y CB -0.014 38.476 38.460 0.049 0.000 0.984 303 Y HN -0.065 nan 8.280 nan 0.000 0.533 304 K N 0.619 120.987 120.400 -0.054 0.000 2.417 304 K HA 0.159 4.479 4.320 -0.000 0.000 0.196 304 K C -0.094 176.444 176.600 -0.102 0.000 1.023 304 K CA 0.403 56.652 56.287 -0.063 0.000 1.122 304 K CB 0.110 32.642 32.500 0.054 0.000 0.850 304 K HN 0.172 nan 8.250 nan 0.000 0.521 305 V N -2.465 117.354 119.914 -0.158 0.000 2.881 305 V HA 0.270 4.390 4.120 -0.000 0.000 0.316 305 V C 1.200 177.198 176.094 -0.160 0.000 1.070 305 V CA -0.860 61.397 62.300 -0.071 0.000 0.976 305 V CB 2.037 33.898 31.823 0.063 0.000 1.038 305 V HN 0.028 nan 8.190 nan 0.000 0.446 306 E N 1.802 121.999 120.200 -0.004 0.000 2.171 306 E HA -0.215 4.135 4.350 -0.000 0.000 0.197 306 E C 1.692 178.410 176.600 0.196 0.000 0.997 306 E CA 1.951 58.422 56.400 0.118 0.000 0.810 306 E CB 0.061 29.860 29.700 0.165 0.000 0.738 306 E HN 0.955 nan 8.360 nan 0.000 0.467 307 N N -0.529 118.179 118.700 0.013 0.000 2.416 307 N HA -0.145 4.595 4.740 -0.000 0.000 0.177 307 N C -0.100 175.410 175.510 0.001 0.000 1.036 307 N CA 0.524 53.460 53.050 -0.190 0.000 0.901 307 N CB -0.151 38.070 38.487 -0.444 0.000 0.976 307 N HN 0.230 nan 8.380 nan 0.000 0.444 308 H N 0.051 119.065 119.070 -0.092 0.000 2.713 308 H HA -0.152 4.404 4.556 -0.000 0.000 0.311 308 H C 1.418 176.670 175.328 -0.127 0.000 1.175 308 H CA 0.333 56.360 56.048 -0.036 0.000 1.143 308 H CB -1.326 28.445 29.762 0.014 0.000 1.434 308 H HN 0.531 nan 8.280 nan 0.000 0.418 309 A N 0.765 123.402 122.820 -0.304 0.000 1.884 309 A HA -0.170 4.150 4.320 -0.000 0.000 0.219 309 A C 2.540 179.846 177.584 -0.464 0.000 1.197 309 A CA 2.640 54.191 52.037 -0.810 0.000 0.637 309 A CB -0.794 17.363 19.000 -1.405 0.000 0.827 309 A HN 0.665 nan 8.150 nan 0.000 0.450 310 A N -0.671 122.009 122.820 -0.234 0.000 1.902 310 A HA -0.158 4.162 4.320 -0.000 0.000 0.217 310 A C 1.894 179.370 177.584 -0.180 0.000 1.181 310 A CA 1.776 53.675 52.037 -0.229 0.000 0.623 310 A CB -0.562 18.117 19.000 -0.535 0.000 0.818 310 A HN 0.670 nan 8.150 nan 0.000 0.443 311 E N 0.159 120.326 120.200 -0.056 0.000 2.012 311 E HA -0.098 4.252 4.350 -0.000 0.000 0.197 311 E C 0.290 176.987 176.600 0.163 0.000 1.007 311 E CA 0.767 57.252 56.400 0.142 0.000 0.816 311 E CB -0.437 29.456 29.700 0.321 0.000 0.762 311 E HN 0.624 nan 8.360 nan 0.000 0.451 312 L N 0.811 122.158 121.223 0.207 0.000 2.483 312 L HA -0.065 4.275 4.340 -0.000 0.000 0.275 312 L C 1.352 178.339 176.870 0.196 0.000 1.220 312 L CA 0.797 55.834 54.840 0.329 0.000 0.833 312 L CB 0.009 42.384 42.059 0.526 0.000 1.102 312 L HN 0.533 nan 8.230 nan 0.000 0.490 313 T N -0.669 114.057 114.554 0.287 0.000 12.550 313 T HA -0.253 4.096 4.350 -0.000 0.000 0.392 313 T C 1.036 175.817 174.700 0.135 0.000 1.636 313 T CA 0.865 62.878 62.100 -0.145 0.000 2.687 313 T CB -1.428 67.117 68.868 -0.539 0.000 2.506 313 T HN 0.822 nan 8.240 nan 0.000 0.474 314 A N 1.783 124.643 122.820 0.066 0.000 2.169 314 A HA 0.634 4.954 4.320 -0.000 0.000 0.212 314 A C 2.592 180.099 177.584 -0.128 0.000 1.153 314 A CA 1.617 53.619 52.037 -0.057 0.000 0.756 314 A CB -1.014 17.870 19.000 -0.194 0.000 0.813 314 A HN 2.570 nan 8.150 nan 0.000 0.471 315 G N -2.553 106.288 108.800 0.069 0.000 2.148 315 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.203 315 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.203 315 G C -0.330 174.589 174.900 0.031 0.000 0.993 315 G CA 0.036 45.164 45.100 0.047 0.000 0.661 315 G HN 0.345 nan 8.290 nan 0.000 0.518 316 Y N 0.471 120.842 120.300 0.118 0.000 2.594 316 Y HA 0.462 5.011 4.550 -0.000 0.000 0.342 316 Y C 0.490 176.414 175.900 0.041 0.000 1.010 316 Y CA -2.368 55.726 58.100 -0.010 0.000 1.270 316 Y CB 0.271 38.701 38.460 -0.049 0.000 1.125 316 Y HN 0.227 nan 8.280 nan 0.000 0.513 317 Y N 3.951 124.276 120.300 0.043 0.000 2.734 317 Y HA 0.140 4.690 4.550 -0.000 0.000 0.353 317 Y C -0.281 175.573 175.900 -0.077 0.000 1.244 317 Y CA -1.024 57.097 58.100 0.036 0.000 1.950 317 Y CB -0.729 37.759 38.460 0.047 0.000 2.028 317 Y HN 0.504 nan 8.280 nan 0.000 0.421 318 N N 3.501 122.224 118.700 0.038 0.000 2.444 318 N HA 0.457 5.197 4.740 -0.000 0.000 0.262 318 N C -1.302 173.968 175.510 -0.401 0.000 0.974 318 N CA -0.232 52.684 53.050 -0.225 0.000 0.933 318 N CB 0.644 38.963 38.487 -0.280 0.000 1.137 318 N HN 0.430 nan 8.380 nan 0.000 0.498 319 L N 1.723 122.699 121.223 -0.413 0.000 2.211 319 L HA 0.519 4.859 4.340 -0.000 0.000 0.259 319 L C 1.040 177.698 176.870 -0.353 0.000 1.031 319 L CA -1.087 53.503 54.840 -0.417 0.000 0.877 319 L CB 0.873 42.905 42.059 -0.045 0.000 1.457 319 L HN 0.406 nan 8.230 nan 0.000 0.466 320 N N 0.689 119.333 118.700 -0.094 0.000 2.459 320 N HA -0.102 4.637 4.740 -0.000 0.000 0.181 320 N C 0.244 175.731 175.510 -0.038 0.000 1.046 320 N CA 0.810 53.848 53.050 -0.019 0.000 0.904 320 N CB -0.180 38.347 38.487 0.067 0.000 0.964 320 N HN 0.591 nan 8.380 nan 0.000 0.444 321 D N -1.171 119.196 120.400 -0.054 0.000 2.535 321 D HA 0.088 4.728 4.640 -0.000 0.000 0.229 321 D C 0.001 176.240 176.300 -0.101 0.000 1.238 321 D CA -0.209 53.757 54.000 -0.057 0.000 0.824 321 D CB 0.211 40.993 40.800 -0.031 0.000 1.045 321 D HN -0.011 nan 8.370 nan 0.000 0.500 322 R N 1.003 121.411 120.500 -0.154 0.000 2.569 322 R HA 0.130 4.470 4.340 -0.000 0.000 0.293 322 R C -1.587 174.584 176.300 -0.216 0.000 1.186 322 R CA -0.479 55.492 56.100 -0.216 0.000 0.956 322 R CB 0.992 31.074 30.300 -0.364 0.000 1.196 322 R HN -0.168 nan 8.270 nan 0.000 0.444 323 D N 3.029 123.339 120.400 -0.151 0.000 2.346 323 D HA 0.074 4.714 4.640 -0.000 0.000 0.260 323 D C 0.727 176.922 176.300 -0.175 0.000 1.252 323 D CA 0.463 54.395 54.000 -0.115 0.000 0.895 323 D CB 1.358 42.127 40.800 -0.051 0.000 1.097 323 D HN 0.815 nan 8.370 nan 0.000 0.489 324 G N 2.803 111.432 108.800 -0.285 0.000 3.042 324 G HA2 -0.137 3.823 3.960 -0.000 0.000 0.212 324 G HA3 -0.137 3.823 3.960 -0.000 0.000 0.212 324 G C 0.707 175.305 174.900 -0.503 0.000 1.166 324 G CA 0.195 45.071 45.100 -0.374 0.000 0.767 324 G HN 0.460 nan 8.290 nan 0.000 0.546 325 Y N -0.378 119.878 120.300 -0.074 0.000 2.396 325 Y HA 0.261 4.811 4.550 -0.001 0.000 0.292 325 Y C 2.639 178.482 175.900 -0.094 0.000 1.128 325 Y CA 0.120 58.146 58.100 -0.123 0.000 1.194 325 Y CB -0.151 38.194 38.460 -0.190 0.000 1.124 325 Y HN 0.051 nan 8.280 nan 0.000 0.543 326 R N 0.530 121.060 120.500 0.050 0.000 2.159 326 R HA -0.116 4.224 4.340 -0.000 0.000 0.237 326 R C -1.135 175.167 176.300 0.003 0.000 1.131 326 R CA 1.256 57.367 56.100 0.018 0.000 0.982 326 R CB -0.945 29.361 30.300 0.009 0.000 0.868 326 R HN 0.240 nan 8.270 nan 0.000 0.453 327 P HA -0.070 nan 4.420 nan 0.000 0.220 327 P C 0.944 178.247 177.300 0.005 0.000 1.152 327 P CA 1.110 64.206 63.100 -0.008 0.000 0.812 327 P CB 0.044 31.734 31.700 -0.016 0.000 0.792 328 I N -0.239 120.338 120.570 0.012 0.000 2.226 328 I HA -0.224 3.945 4.170 -0.000 0.000 0.245 328 I C 2.364 178.492 176.117 0.018 0.000 1.100 328 I CA 1.458 62.773 61.300 0.025 0.000 1.374 328 I CB -0.836 37.188 38.000 0.040 0.000 1.057 328 I HN -0.103 nan 8.210 nan 0.000 0.413 329 A N 0.685 123.511 122.820 0.010 0.000 1.933 329 A HA -0.244 4.076 4.320 -0.000 0.000 0.218 329 A C 2.429 180.015 177.584 0.002 0.000 1.175 329 A CA 1.805 53.841 52.037 -0.002 0.000 0.628 329 A CB -0.618 18.374 19.000 -0.013 0.000 0.814 329 A HN 0.367 nan 8.150 nan 0.000 0.444 330 R N -1.133 119.369 120.500 0.003 0.000 2.075 330 R HA -0.082 4.258 4.340 -0.000 0.000 0.232 330 R C 2.263 178.557 176.300 -0.009 0.000 1.126 330 R CA 1.516 57.614 56.100 -0.003 0.000 0.963 330 R CB -0.319 29.979 30.300 -0.003 0.000 0.858 330 R HN 0.487 nan 8.270 nan 0.000 0.435 331 M N 0.894 120.499 119.600 0.007 0.000 2.106 331 M HA -0.209 4.271 4.480 -0.000 0.000 0.259 331 M C 1.866 178.209 176.300 0.072 0.000 1.068 331 M CA 1.763 57.081 55.300 0.029 0.000 1.100 331 M CB -0.404 32.224 32.600 0.047 0.000 1.351 331 M HN 0.325 nan 8.290 nan 0.000 0.404 332 L N 0.185 121.444 121.223 0.059 0.000 2.131 332 L HA -0.203 4.137 4.340 -0.000 0.000 0.210 332 L C 2.662 179.537 176.870 0.010 0.000 1.092 332 L CA 1.483 56.364 54.840 0.070 0.000 0.759 332 L CB -0.862 41.208 42.059 0.018 0.000 0.903 332 L HN 0.480 nan 8.230 nan 0.000 0.435 333 S N 1.016 116.692 115.700 -0.039 0.000 2.383 333 S HA -0.256 4.214 4.470 -0.000 0.000 0.229 333 S C 2.021 176.467 174.600 -0.257 0.000 1.030 333 S CA 1.301 59.444 58.200 -0.095 0.000 1.002 333 S CB -0.504 62.666 63.200 -0.050 0.000 0.829 333 S HN 0.586 nan 8.310 nan 0.000 0.467 334 R N 0.356 120.669 120.500 -0.312 0.000 2.189 334 R HA 0.029 4.369 4.340 -0.000 0.000 0.223 334 R C 1.499 177.346 176.300 -0.756 0.000 1.092 334 R CA 1.464 57.263 56.100 -0.502 0.000 0.989 334 R CB -0.775 29.252 30.300 -0.455 0.000 0.876 334 R HN 0.527 nan 8.270 nan 0.000 0.457 335 H N 0.260 119.102 119.070 -0.380 0.000 2.551 335 H HA 0.100 4.656 4.556 -0.000 0.000 0.271 335 H C -0.266 174.911 175.328 -0.252 0.000 0.984 335 H CA 0.402 56.286 56.048 -0.273 0.000 1.164 335 H CB 0.005 29.703 29.762 -0.107 0.000 1.437 335 H HN 0.488 nan 8.280 nan 0.000 0.550 336 H N -0.964 118.140 119.070 0.057 0.000 2.820 336 H HA -0.117 4.439 4.556 -0.000 0.000 0.295 336 H C 0.441 175.760 175.328 -0.016 0.000 1.187 336 H CA 0.291 56.341 56.048 0.003 0.000 1.144 336 H CB -1.491 28.268 29.762 -0.005 0.000 1.354 336 H HN 0.497 nan 8.280 nan 0.000 0.395 337 A N 0.273 123.119 122.820 0.044 0.000 2.269 337 A HA 0.708 5.028 4.320 -0.000 0.000 0.319 337 A C 0.430 177.986 177.584 -0.047 0.000 1.110 337 A CA -0.627 51.409 52.037 -0.002 0.000 0.847 337 A CB 0.972 19.968 19.000 -0.006 0.000 1.161 337 A HN 0.297 nan 8.150 nan 0.000 0.497 338 I N 0.589 121.119 120.570 -0.068 0.000 2.385 338 I HA 0.244 4.414 4.170 -0.000 0.000 0.294 338 I C -0.285 175.814 176.117 -0.030 0.000 0.988 338 I CA -0.217 61.039 61.300 -0.074 0.000 1.265 338 I CB 1.420 39.381 38.000 -0.065 0.000 1.388 338 I HN 0.528 nan 8.210 nan 0.000 0.480 339 L N 7.131 128.340 121.223 -0.023 0.000 2.259 339 L HA 0.312 4.652 4.340 -0.000 0.000 0.288 339 L C -0.009 176.884 176.870 0.039 0.000 1.051 339 L CA -0.099 54.739 54.840 -0.004 0.000 0.824 339 L CB 0.181 42.217 42.059 -0.037 0.000 1.206 339 L HN 0.643 nan 8.230 nan 0.000 0.429 340 N N 4.412 123.143 118.700 0.052 0.000 2.500 340 N HA 0.126 4.866 4.740 -0.000 0.000 0.236 340 N C -1.076 174.503 175.510 0.114 0.000 1.022 340 N CA -0.642 52.455 53.050 0.078 0.000 0.935 340 N CB 0.527 39.037 38.487 0.039 0.000 1.147 340 N HN 0.407 nan 8.380 nan 0.000 0.512 341 F N 4.048 123.975 119.950 -0.038 0.000 2.404 341 F HA 0.142 4.669 4.527 0.000 0.000 0.359 341 F C 1.582 177.367 175.800 -0.025 0.000 1.134 341 F CA -0.646 57.315 58.000 -0.065 0.000 1.160 341 F CB 0.722 39.652 39.000 -0.116 0.000 1.186 341 F HN 0.439 nan 8.300 nan 0.000 0.526 342 T N 1.577 115.852 114.554 -0.465 0.000 3.361 342 T HA 0.047 4.397 4.350 -0.000 0.000 0.251 342 T C 0.253 174.744 174.700 -0.349 0.000 1.131 342 T CA -0.044 61.869 62.100 -0.311 0.000 1.001 342 T CB -1.117 67.648 68.868 -0.171 0.000 1.003 342 T HN 0.528 nan 8.240 nan 0.000 0.558 343 C N 0.806 119.792 119.300 -0.523 0.000 2.620 343 C HA 0.648 5.107 4.460 -0.000 0.000 0.356 343 C C 0.435 175.356 174.990 -0.115 0.000 1.082 343 C CA -0.832 58.012 59.018 -0.290 0.000 1.293 343 C CB -0.269 27.294 27.740 -0.295 0.000 1.836 343 C HN 0.660 nan 8.230 nan 0.000 0.453 344 L N 4.064 125.271 121.223 -0.026 0.000 3.076 344 L HA 0.232 4.572 4.340 -0.000 0.000 0.271 344 L C 2.361 179.256 176.870 0.042 0.000 1.152 344 L CA 0.241 55.128 54.840 0.077 0.000 0.996 344 L CB 0.069 42.204 42.059 0.127 0.000 1.453 344 L HN 0.826 nan 8.230 nan 0.000 0.571 345 E N 0.646 120.827 120.200 -0.032 0.000 2.250 345 E HA -0.008 4.342 4.350 -0.000 0.000 0.192 345 E C 0.813 177.362 176.600 -0.085 0.000 0.986 345 E CA 0.168 56.532 56.400 -0.061 0.000 0.849 345 E CB 0.098 29.727 29.700 -0.119 0.000 0.797 345 E HN 0.321 nan 8.360 nan 0.000 0.482 346 M N 1.521 121.050 119.600 -0.119 0.000 2.248 346 M HA 0.224 4.704 4.480 -0.000 0.000 0.337 346 M C 0.366 176.596 176.300 -0.117 0.000 1.121 346 M CA 0.264 55.471 55.300 -0.155 0.000 1.155 346 M CB 0.741 33.183 32.600 -0.264 0.000 1.514 346 M HN -0.202 nan 8.290 nan 0.000 0.452 347 R N 0.860 121.298 120.500 -0.103 0.000 2.604 347 R HA 0.186 4.526 4.340 -0.000 0.000 0.287 347 R C 0.153 176.410 176.300 -0.072 0.000 0.970 347 R CA -0.839 55.219 56.100 -0.069 0.000 0.946 347 R CB 1.230 31.505 30.300 -0.043 0.000 1.127 347 R HN 0.620 nan 8.270 nan 0.000 0.473 348 D N 0.398 120.767 120.400 -0.052 0.000 2.133 348 D HA -0.173 4.467 4.640 -0.000 0.000 0.195 348 D C 1.526 177.815 176.300 -0.017 0.000 0.997 348 D CA 1.929 55.911 54.000 -0.030 0.000 0.840 348 D CB -0.100 40.692 40.800 -0.013 0.000 0.947 348 D HN 0.541 nan 8.370 nan 0.000 0.452 349 S N -0.167 115.522 115.700 -0.019 0.000 2.595 349 S HA -0.059 4.411 4.470 -0.000 0.000 0.235 349 S C 1.234 175.821 174.600 -0.022 0.000 0.974 349 S CA 0.367 58.559 58.200 -0.014 0.000 0.942 349 S CB -0.275 62.918 63.200 -0.011 0.000 0.766 349 S HN 0.292 nan 8.310 nan 0.000 0.536 350 E N 0.554 120.732 120.200 -0.036 0.000 2.474 350 E HA 0.129 4.479 4.350 -0.000 0.000 0.195 350 E C -0.009 176.570 176.600 -0.035 0.000 1.039 350 E CA -0.058 56.313 56.400 -0.047 0.000 0.881 350 E CB 0.225 29.879 29.700 -0.076 0.000 0.970 350 E HN 0.538 nan 8.360 nan 0.000 0.486 351 Q N 1.405 121.204 119.800 -0.001 0.000 2.222 351 Q HA 0.299 4.639 4.340 -0.000 0.000 0.252 351 Q C -2.279 173.749 176.000 0.047 0.000 0.926 351 Q CA -2.513 53.325 55.803 0.058 0.000 0.899 351 Q CB 0.286 29.107 28.738 0.138 0.000 1.250 351 Q HN -0.025 nan 8.270 nan 0.000 0.441 352 P HA 0.011 nan 4.420 nan 0.000 0.265 352 P C 0.549 177.842 177.300 -0.013 0.000 1.193 352 P CA 0.274 63.389 63.100 0.026 0.000 0.765 352 P CB 0.720 32.443 31.700 0.038 0.000 0.823 353 S N 1.397 117.083 115.700 -0.022 0.000 2.383 353 S HA -0.148 4.322 4.470 -0.000 0.000 0.229 353 S C 1.271 175.829 174.600 -0.071 0.000 1.030 353 S CA 1.546 59.727 58.200 -0.032 0.000 1.002 353 S CB -0.571 62.621 63.200 -0.014 0.000 0.829 353 S HN 0.649 nan 8.310 nan 0.000 0.467 354 D N 0.821 121.171 120.400 -0.085 0.000 2.371 354 D HA 0.037 4.677 4.640 -0.000 0.000 0.221 354 D C 1.323 177.426 176.300 -0.328 0.000 0.986 354 D CA 0.722 54.656 54.000 -0.110 0.000 0.899 354 D CB -0.124 40.643 40.800 -0.055 0.000 0.902 354 D HN 0.439 nan 8.370 nan 0.000 0.530 355 A N 0.935 123.502 122.820 -0.422 0.000 2.238 355 A HA -0.008 4.312 4.320 -0.000 0.000 0.210 355 A C 0.740 177.831 177.584 -0.820 0.000 1.179 355 A CA -0.237 51.297 52.037 -0.838 0.000 0.827 355 A CB -0.171 18.427 19.000 -0.669 0.000 0.856 355 A HN 0.012 nan 8.150 nan 0.000 0.488 356 K N 0.721 120.883 120.400 -0.397 0.000 3.311 356 K HA -0.133 4.187 4.320 -0.000 0.000 0.270 356 K C -0.364 176.179 176.600 -0.097 0.000 0.927 356 K CA 0.819 56.998 56.287 -0.180 0.000 0.706 356 K CB -2.529 29.919 32.500 -0.088 0.000 1.418 356 K HN 0.399 nan 8.250 nan 0.000 0.459 357 S N -0.249 115.442 115.700 -0.016 0.000 2.523 357 S HA 0.451 4.920 4.470 -0.000 0.000 0.275 357 S C 1.064 175.760 174.600 0.160 0.000 1.281 357 S CA 0.066 58.363 58.200 0.161 0.000 1.050 357 S CB 1.403 64.788 63.200 0.308 0.000 0.937 357 S HN 0.502 nan 8.310 nan 0.000 0.492 358 G N 3.990 112.908 108.800 0.196 0.000 4.959 358 G HA2 0.313 4.273 3.960 -0.000 0.000 0.297 358 G HA3 0.313 4.273 3.960 -0.000 0.000 0.297 358 G C -1.926 172.883 174.900 -0.153 0.000 1.351 358 G CA -1.007 44.133 45.100 0.065 0.000 1.016 358 G HN 0.465 nan 8.290 nan 0.000 0.592 359 P HA -0.219 nan 4.420 nan 0.000 0.215 359 P C 1.566 178.755 177.300 -0.185 0.000 1.157 359 P CA 1.269 64.280 63.100 -0.149 0.000 0.874 359 P CB 0.373 31.895 31.700 -0.296 0.000 0.790 360 Q N -0.284 119.417 119.800 -0.165 0.000 2.124 360 Q HA -0.179 4.160 4.340 -0.000 0.000 0.202 360 Q C 2.210 178.031 176.000 -0.298 0.000 0.977 360 Q CA 1.401 57.090 55.803 -0.189 0.000 0.850 360 Q CB -0.506 28.149 28.738 -0.138 0.000 0.901 360 Q HN 0.288 nan 8.270 nan 0.000 0.429 361 E N 0.794 120.827 120.200 -0.279 0.000 2.072 361 E HA -0.173 4.177 4.350 -0.000 0.000 0.191 361 E C 1.732 178.076 176.600 -0.426 0.000 0.985 361 E CA 0.630 56.862 56.400 -0.281 0.000 0.801 361 E CB -0.247 29.411 29.700 -0.071 0.000 0.750 361 E HN 0.149 nan 8.360 nan 0.000 0.452 362 L N 0.284 121.064 121.223 -0.738 0.000 2.012 362 L HA -0.186 4.154 4.340 -0.000 0.000 0.210 362 L C 2.090 178.673 176.870 -0.479 0.000 1.073 362 L CA 1.511 55.911 54.840 -0.734 0.000 0.748 362 L CB -0.682 40.993 42.059 -0.639 0.000 0.891 362 L HN 0.036 nan 8.230 nan 0.000 0.431 363 V N -0.139 119.570 119.914 -0.343 0.000 2.252 363 V HA -0.411 3.709 4.120 -0.000 0.000 0.249 363 V C 2.635 178.469 176.094 -0.433 0.000 1.056 363 V CA 2.398 64.509 62.300 -0.315 0.000 1.022 363 V CB -0.747 31.033 31.823 -0.072 0.000 0.641 363 V HN 0.614 nan 8.190 nan 0.000 0.445 364 Q N -0.790 118.662 119.800 -0.579 0.000 2.124 364 Q HA -0.289 4.051 4.340 -0.000 0.000 0.202 364 Q C 2.348 178.146 176.000 -0.336 0.000 0.977 364 Q CA 1.894 57.237 55.803 -0.767 0.000 0.850 364 Q CB -0.250 27.840 28.738 -1.081 0.000 0.901 364 Q HN 0.704 nan 8.270 nan 0.000 0.429 365 Q N 0.477 120.109 119.800 -0.279 0.000 2.002 365 Q HA -0.193 4.147 4.340 -0.000 0.000 0.204 365 Q C 2.170 178.032 176.000 -0.230 0.000 0.988 365 Q CA 1.906 57.619 55.803 -0.150 0.000 0.843 365 Q CB 0.007 28.733 28.738 -0.020 0.000 0.908 365 Q HN 0.259 nan 8.270 nan 0.000 0.420 366 V N 1.354 120.978 119.914 -0.482 0.000 2.261 366 V HA -0.297 3.823 4.120 -0.000 0.000 0.246 366 V C 2.421 178.209 176.094 -0.509 0.000 1.047 366 V CA 1.748 63.653 62.300 -0.659 0.000 1.015 366 V CB -0.635 30.360 31.823 -1.380 0.000 0.642 366 V HN 0.413 nan 8.190 nan 0.000 0.446 367 L N -0.306 120.610 121.223 -0.511 0.000 2.093 367 L HA -0.128 4.211 4.340 -0.000 0.000 0.208 367 L C 2.606 179.150 176.870 -0.543 0.000 1.085 367 L CA 1.619 56.055 54.840 -0.674 0.000 0.755 367 L CB -0.887 40.754 42.059 -0.698 0.000 0.904 367 L HN 0.313 nan 8.230 nan 0.000 0.435 368 S N 0.514 116.230 115.700 0.025 0.000 2.368 368 S HA -0.115 4.355 4.470 -0.000 0.000 0.225 368 S C 2.091 176.849 174.600 0.262 0.000 1.030 368 S CA 1.261 59.733 58.200 0.453 0.000 0.999 368 S CB -0.596 62.839 63.200 0.392 0.000 0.844 368 S HN 0.602 nan 8.310 nan 0.000 0.459 369 G N 1.276 110.099 108.800 0.038 0.000 2.440 369 G HA2 -0.089 3.870 3.960 -0.000 0.000 0.218 369 G HA3 -0.089 3.870 3.960 -0.000 0.000 0.218 369 G C 1.423 176.342 174.900 0.031 0.000 1.154 369 G CA 1.014 46.131 45.100 0.028 0.000 0.767 369 G HN 0.561 nan 8.290 nan 0.000 0.552 370 G N -0.094 108.656 108.800 -0.084 0.000 2.433 370 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.216 370 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.216 370 G C 1.591 176.515 174.900 0.040 0.000 1.186 370 G CA 0.881 45.916 45.100 -0.107 0.000 0.779 370 G HN 0.363 nan 8.290 nan 0.000 0.543 371 W N 0.943 122.320 121.300 0.127 0.000 2.363 371 W HA 0.020 4.680 4.660 -0.000 0.000 0.296 371 W C 2.703 179.337 176.519 0.190 0.000 1.212 371 W CA 0.865 58.283 57.345 0.121 0.000 1.260 371 W CB -0.628 28.872 29.460 0.067 0.000 1.131 371 W HN 0.259 nan 8.180 nan 0.000 0.530 372 R N 0.819 121.606 120.500 0.479 0.000 2.092 372 R HA -0.125 4.214 4.340 -0.000 0.000 0.231 372 R C 1.581 177.996 176.300 0.191 0.000 1.119 372 R CA 1.524 57.829 56.100 0.341 0.000 0.970 372 R CB -0.236 30.203 30.300 0.232 0.000 0.864 372 R HN -0.118 nan 8.270 nan 0.000 0.440 373 E N 0.562 120.846 120.200 0.141 0.000 2.489 373 E HA -0.063 4.287 4.350 -0.000 0.000 0.193 373 E C -0.347 176.304 176.600 0.085 0.000 1.057 373 E CA 0.359 56.810 56.400 0.085 0.000 0.866 373 E CB 0.075 29.803 29.700 0.047 0.000 0.916 373 E HN 0.313 nan 8.360 nan 0.000 0.500 374 D N 0.465 120.943 120.400 0.129 0.000 2.716 374 D HA -0.175 4.465 4.640 -0.000 0.000 0.239 374 D C -0.391 175.957 176.300 0.080 0.000 1.125 374 D CA 0.496 54.565 54.000 0.115 0.000 0.681 374 D CB -1.541 39.309 40.800 0.083 0.000 1.070 374 D HN 0.407 nan 8.370 nan 0.000 0.432 375 I N -3.479 117.137 120.570 0.076 0.000 3.133 375 I HA 0.644 4.814 4.170 -0.000 0.000 0.311 375 I C 0.360 176.492 176.117 0.026 0.000 1.072 375 I CA -1.316 59.997 61.300 0.022 0.000 1.015 375 I CB 1.436 39.431 38.000 -0.007 0.000 1.233 375 I HN -0.200 nan 8.210 nan 0.000 0.473 376 R N 1.343 121.800 120.500 -0.071 0.000 2.410 376 R HA 0.697 5.037 4.340 -0.000 0.000 0.288 376 R C -1.234 175.046 176.300 -0.032 0.000 1.051 376 R CA -0.743 55.294 56.100 -0.105 0.000 1.021 376 R CB 1.815 31.805 30.300 -0.517 0.000 1.032 376 R HN 0.470 nan 8.270 nan 0.000 0.481 377 V N 1.971 121.939 119.914 0.091 0.000 2.540 377 V HA 0.682 4.802 4.120 -0.000 0.000 0.302 377 V C -0.276 175.926 176.094 0.181 0.000 1.035 377 V CA -0.607 61.710 62.300 0.028 0.000 0.873 377 V CB 1.580 33.248 31.823 -0.259 0.000 0.992 377 V HN 0.984 nan 8.190 nan 0.000 0.428 378 A N 3.166 126.087 122.820 0.168 0.000 2.437 378 A HA 1.093 5.413 4.320 -0.000 0.000 0.288 378 A C 0.013 177.711 177.584 0.190 0.000 1.201 378 A CA -0.180 51.997 52.037 0.233 0.000 0.795 378 A CB 2.068 21.229 19.000 0.269 0.000 1.359 378 A HN 1.428 nan 8.150 nan 0.000 0.435 379 G N -1.269 107.649 108.800 0.197 0.000 2.548 379 G HA2 0.597 4.557 3.960 -0.000 0.000 0.301 379 G HA3 0.597 4.557 3.960 -0.000 0.000 0.301 379 G C -1.697 173.288 174.900 0.142 0.000 1.349 379 G CA -0.531 44.669 45.100 0.167 0.000 0.792 379 G HN 0.748 nan 8.290 nan 0.000 0.481 380 E N -0.409 119.836 120.200 0.076 0.000 2.446 380 E HA 0.333 4.682 4.350 -0.000 0.000 0.276 380 E C -0.837 175.763 176.600 0.001 0.000 0.969 380 E CA -1.123 55.310 56.400 0.056 0.000 0.800 380 E CB 1.992 31.698 29.700 0.009 0.000 1.341 380 E HN 0.619 nan 8.360 nan 0.000 0.460 381 N N 0.271 118.950 118.700 -0.034 0.000 2.518 381 N HA 0.228 4.968 4.740 -0.000 0.000 0.283 381 N C 0.041 175.472 175.510 -0.132 0.000 1.119 381 N CA -0.120 52.872 53.050 -0.098 0.000 0.983 381 N CB 1.829 40.219 38.487 -0.160 0.000 1.139 381 N HN 0.521 nan 8.380 nan 0.000 0.465 382 A N 2.400 125.144 122.820 -0.127 0.000 1.930 382 A HA 0.167 4.487 4.320 -0.000 0.000 0.215 382 A C 0.933 178.448 177.584 -0.114 0.000 1.176 382 A CA 0.611 52.588 52.037 -0.101 0.000 0.632 382 A CB -0.079 18.884 19.000 -0.061 0.000 0.819 382 A HN 0.668 nan 8.150 nan 0.000 0.445 383 L N -0.981 120.146 121.223 -0.160 0.000 2.333 383 L HA 0.412 4.752 4.340 -0.000 0.000 0.263 383 L C -2.727 173.987 176.870 -0.259 0.000 1.014 383 L CA -2.618 52.117 54.840 -0.175 0.000 0.820 383 L CB 2.013 43.977 42.059 -0.158 0.000 1.352 383 L HN -0.145 nan 8.230 nan 0.000 0.421 384 P HA 0.146 nan 4.420 nan 0.000 0.266 384 P C -1.133 175.857 177.300 -0.516 0.000 1.215 384 P CA 0.049 62.907 63.100 -0.403 0.000 0.763 384 P CB 0.371 31.916 31.700 -0.258 0.000 0.806 385 R N 2.900 123.002 120.500 -0.665 0.000 2.725 385 R HA 0.348 4.688 4.340 -0.000 0.000 0.277 385 R C -0.361 175.475 176.300 -0.773 0.000 0.987 385 R CA -0.552 55.177 56.100 -0.619 0.000 0.901 385 R CB 1.528 31.562 30.300 -0.444 0.000 1.207 385 R HN 0.425 nan 8.270 nan 0.000 0.463 386 Y N -0.727 119.482 120.300 -0.151 0.000 2.563 386 Y HA 0.097 4.647 4.550 -0.001 0.000 0.250 386 Y C 0.430 176.252 175.900 -0.129 0.000 1.126 386 Y CA -0.669 57.392 58.100 -0.064 0.000 1.231 386 Y CB 0.784 39.280 38.460 0.060 0.000 1.288 386 Y HN 0.470 nan 8.280 nan 0.000 0.537 387 D N -0.125 120.165 120.400 -0.184 0.000 2.277 387 D HA 0.350 4.990 4.640 -0.000 0.000 0.250 387 D C 1.104 177.328 176.300 -0.127 0.000 1.032 387 D CA -0.010 53.941 54.000 -0.082 0.000 0.947 387 D CB 2.223 42.985 40.800 -0.063 0.000 1.159 387 D HN 0.050 nan 8.370 nan 0.000 0.460 388 A N 1.749 124.601 122.820 0.053 0.000 2.024 388 A HA -0.156 4.164 4.320 -0.000 0.000 0.220 388 A C 2.076 179.685 177.584 0.042 0.000 1.164 388 A CA 1.791 53.903 52.037 0.125 0.000 0.643 388 A CB -0.918 18.148 19.000 0.109 0.000 0.806 388 A HN 0.709 nan 8.150 nan 0.000 0.451 389 T N 0.403 114.944 114.554 -0.022 0.000 2.607 389 T HA -0.132 4.218 4.350 -0.000 0.000 0.267 389 T C 2.280 176.938 174.700 -0.070 0.000 1.049 389 T CA 2.040 64.119 62.100 -0.035 0.000 1.162 389 T CB -0.595 68.246 68.868 -0.045 0.000 0.863 389 T HN 0.647 nan 8.240 nan 0.000 0.424 390 A N 0.652 123.367 122.820 -0.175 0.000 1.865 390 A HA -0.136 4.184 4.320 -0.000 0.000 0.217 390 A C 2.102 179.578 177.584 -0.181 0.000 1.191 390 A CA 1.835 53.734 52.037 -0.231 0.000 0.623 390 A CB -1.249 17.512 19.000 -0.399 0.000 0.826 390 A HN 0.563 nan 8.150 nan 0.000 0.444 391 Y N 0.796 121.004 120.300 -0.153 0.000 2.114 391 Y HA -0.220 4.330 4.550 -0.001 0.000 0.282 391 Y C 2.434 178.318 175.900 -0.026 0.000 1.165 391 Y CA 1.442 59.404 58.100 -0.231 0.000 1.148 391 Y CB -0.755 37.555 38.460 -0.251 0.000 0.972 391 Y HN 0.328 nan 8.280 nan 0.000 0.504 392 N N -0.095 118.701 118.700 0.161 0.000 2.364 392 N HA -0.163 4.577 4.740 -0.000 0.000 0.183 392 N C 1.802 177.379 175.510 0.111 0.000 1.022 392 N CA 1.081 54.207 53.050 0.127 0.000 0.883 392 N CB -0.274 38.265 38.487 0.087 0.000 0.965 392 N HN 0.382 nan 8.380 nan 0.000 0.438 393 Q N 1.024 120.875 119.800 0.085 0.000 2.083 393 Q HA 0.132 4.472 4.340 -0.000 0.000 0.198 393 Q C 2.001 178.083 176.000 0.136 0.000 0.969 393 Q CA 0.940 56.798 55.803 0.091 0.000 0.838 393 Q CB -0.252 28.509 28.738 0.037 0.000 0.900 393 Q HN 0.362 nan 8.270 nan 0.000 0.436 394 I N -0.239 120.416 120.570 0.141 0.000 2.226 394 I HA -0.263 3.907 4.170 -0.000 0.000 0.245 394 I C 1.974 178.231 176.117 0.234 0.000 1.100 394 I CA 0.934 62.356 61.300 0.204 0.000 1.374 394 I CB -0.252 37.889 38.000 0.237 0.000 1.057 394 I HN 0.193 nan 8.210 nan 0.000 0.413 395 I N 0.078 120.790 120.570 0.236 0.000 2.208 395 I HA -0.313 3.857 4.170 -0.000 0.000 0.245 395 I C 2.484 178.651 176.117 0.085 0.000 1.097 395 I CA 1.212 62.599 61.300 0.146 0.000 1.363 395 I CB -0.353 37.717 38.000 0.116 0.000 1.051 395 I HN 0.229 nan 8.210 nan 0.000 0.413 396 L N 1.111 122.396 121.223 0.104 0.000 2.012 396 L HA -0.230 4.110 4.340 -0.000 0.000 0.210 396 L C 2.191 179.099 176.870 0.063 0.000 1.073 396 L CA 1.972 56.858 54.840 0.076 0.000 0.748 396 L CB -0.913 41.235 42.059 0.149 0.000 0.891 396 L HN 0.229 nan 8.230 nan 0.000 0.431 397 N N 0.085 118.914 118.700 0.215 0.000 2.223 397 N HA -0.142 4.598 4.740 -0.000 0.000 0.185 397 N C 1.789 177.427 175.510 0.214 0.000 1.016 397 N CA 1.443 54.683 53.050 0.317 0.000 0.863 397 N CB -0.416 38.294 38.487 0.370 0.000 0.983 397 N HN 0.560 nan 8.380 nan 0.000 0.429 398 A N 0.573 123.483 122.820 0.151 0.000 1.930 398 A HA -0.032 4.288 4.320 -0.000 0.000 0.217 398 A C 0.829 178.441 177.584 0.047 0.000 1.175 398 A CA 1.235 53.349 52.037 0.129 0.000 0.627 398 A CB 0.082 19.131 19.000 0.081 0.000 0.815 398 A HN 0.196 nan 8.150 nan 0.000 0.443 399 K N -0.987 119.379 120.400 -0.056 0.000 2.895 399 K HA 0.260 4.580 4.320 -0.000 0.000 0.191 399 K C -2.562 173.874 176.600 -0.272 0.000 1.117 399 K CA -1.511 54.678 56.287 -0.163 0.000 0.988 399 K CB 1.774 34.194 32.500 -0.133 0.000 1.181 399 K HN 0.016 nan 8.250 nan 0.000 0.598 400 P HA -0.191 nan 4.420 nan 0.000 0.217 400 P C 0.453 177.452 177.300 -0.501 0.000 1.148 400 P CA 1.297 63.901 63.100 -0.827 0.000 0.828 400 P CB 0.290 31.057 31.700 -1.554 0.000 0.783 401 Q N -1.222 118.355 119.800 -0.371 0.000 2.188 401 Q HA 0.371 4.711 4.340 -0.000 0.000 0.212 401 Q C 0.706 176.609 176.000 -0.161 0.000 0.846 401 Q CA 0.001 55.669 55.803 -0.225 0.000 0.989 401 Q CB 0.392 29.000 28.738 -0.216 0.000 1.114 401 Q HN 0.137 nan 8.270 nan 0.000 0.488 402 G N 0.121 108.826 108.800 -0.159 0.000 2.782 402 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.228 402 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.228 402 G C -0.567 174.264 174.900 -0.114 0.000 1.372 402 G CA -0.707 44.325 45.100 -0.112 0.000 0.862 402 G HN 0.100 nan 8.290 nan 0.000 0.547 403 V N 1.033 120.894 119.914 -0.088 0.000 2.686 403 V HA 0.521 4.641 4.120 -0.000 0.000 0.295 403 V C 0.559 176.609 176.094 -0.073 0.000 1.057 403 V CA -0.041 62.210 62.300 -0.080 0.000 1.012 403 V CB 1.672 33.456 31.823 -0.066 0.000 1.006 403 V HN 0.938 nan 8.190 nan 0.000 0.477 404 N N 2.618 121.276 118.700 -0.070 0.000 2.501 404 N HA 0.182 4.921 4.740 -0.000 0.000 0.245 404 N C 0.610 176.092 175.510 -0.047 0.000 0.974 404 N CA -0.462 52.552 53.050 -0.060 0.000 0.941 404 N CB 0.613 39.060 38.487 -0.067 0.000 1.122 404 N HN 0.713 nan 8.380 nan 0.000 0.507 405 N N 2.081 120.757 118.700 -0.041 0.000 2.521 405 N HA -0.031 4.709 4.740 -0.000 0.000 0.188 405 N C -0.617 174.874 175.510 -0.031 0.000 1.146 405 N CA 0.372 53.401 53.050 -0.034 0.000 0.893 405 N CB -0.053 38.416 38.487 -0.031 0.000 0.975 405 N HN 0.459 nan 8.380 nan 0.000 0.451 406 N N -0.322 118.358 118.700 -0.032 0.000 2.571 406 N HA 0.313 5.053 4.740 -0.000 0.000 0.298 406 N C -0.251 175.241 175.510 -0.030 0.000 1.671 406 N CA -0.276 52.757 53.050 -0.029 0.000 0.900 406 N CB 1.313 39.784 38.487 -0.026 0.000 1.365 406 N HN 0.307 nan 8.380 nan 0.000 0.493 407 G N 1.246 110.026 108.800 -0.032 0.000 2.359 407 G HA2 0.093 4.053 3.960 -0.000 0.000 0.293 407 G HA3 0.093 4.053 3.960 -0.000 0.000 0.293 407 G C -3.498 171.380 174.900 -0.036 0.000 1.300 407 G CA -0.798 44.282 45.100 -0.033 0.000 0.888 407 G HN -0.062 nan 8.290 nan 0.000 0.541 408 P HA 0.377 nan 4.420 nan 0.000 0.275 408 P C -2.521 174.736 177.300 -0.072 0.000 1.228 408 P CA -1.201 61.877 63.100 -0.038 0.000 0.786 408 P CB 0.173 31.855 31.700 -0.030 0.000 0.927 409 P HA 0.097 nan 4.420 nan 0.000 0.270 409 P C 0.871 178.056 177.300 -0.192 0.000 1.223 409 P CA -0.141 62.875 63.100 -0.141 0.000 0.785 409 P CB 0.686 32.290 31.700 -0.160 0.000 0.923 410 K N 1.026 121.286 120.400 -0.233 0.000 2.155 410 K HA 0.022 4.341 4.320 -0.000 0.000 0.203 410 K C 0.054 176.360 176.600 -0.490 0.000 1.052 410 K CA 0.955 57.065 56.287 -0.295 0.000 0.948 410 K CB -0.073 32.269 32.500 -0.263 0.000 0.728 410 K HN 0.389 nan 8.250 nan 0.000 0.448 411 L N 1.157 122.022 121.223 -0.596 0.000 2.409 411 L HA 0.322 4.662 4.340 -0.000 0.000 0.272 411 L C -1.024 175.408 176.870 -0.730 0.000 0.980 411 L CA -0.849 53.382 54.840 -1.015 0.000 0.826 411 L CB 2.112 43.334 42.059 -1.395 0.000 1.268 411 L HN 0.030 nan 8.230 nan 0.000 0.407 412 S N 2.388 117.740 115.700 -0.580 0.000 2.537 412 S HA 0.687 5.156 4.470 -0.000 0.000 0.270 412 S C -0.814 173.949 174.600 0.272 0.000 1.142 412 S CA -1.033 57.102 58.200 -0.109 0.000 0.870 412 S CB 1.800 64.973 63.200 -0.045 0.000 1.112 412 S HN 0.504 nan 8.310 nan 0.000 0.466 413 M N 1.854 121.681 119.600 0.378 0.000 2.228 413 M HA 0.368 4.848 4.480 -0.000 0.000 0.326 413 M C 0.300 176.853 176.300 0.422 0.000 1.122 413 M CA -0.418 55.159 55.300 0.463 0.000 1.161 413 M CB 0.336 33.150 32.600 0.357 0.000 1.437 413 M HN 0.865 nan 8.290 nan 0.000 0.465 414 F N 0.526 120.648 119.950 0.287 0.000 2.615 414 F HA 0.318 4.845 4.527 -0.001 0.000 0.297 414 F C 0.791 176.842 175.800 0.418 0.000 1.124 414 F CA 0.589 58.781 58.000 0.319 0.000 1.451 414 F CB 0.350 39.471 39.000 0.202 0.000 1.103 414 F HN 0.541 nan 8.300 nan 0.000 0.569 415 G N -0.447 108.551 108.800 0.330 0.000 2.361 415 G HA2 0.448 4.408 3.960 -0.000 0.000 0.299 415 G HA3 0.448 4.408 3.960 -0.000 0.000 0.299 415 G C -2.334 172.744 174.900 0.297 0.000 1.544 415 G CA -0.602 44.676 45.100 0.297 0.000 0.860 415 G HN -0.021 nan 8.290 nan 0.000 0.610 416 V N 0.286 120.372 119.914 0.287 0.000 2.686 416 V HA 0.667 4.787 4.120 -0.000 0.000 0.306 416 V C -0.243 176.072 176.094 0.369 0.000 1.065 416 V CA -0.660 61.815 62.300 0.292 0.000 0.894 416 V CB 2.269 34.256 31.823 0.274 0.000 1.004 416 V HN 0.882 nan 8.190 nan 0.000 0.424 417 T N 4.808 119.565 114.554 0.339 0.000 2.929 417 T HA 0.334 4.684 4.350 -0.000 0.000 0.331 417 T C -0.447 174.442 174.700 0.315 0.000 1.120 417 T CA -0.114 62.196 62.100 0.351 0.000 0.973 417 T CB -0.117 68.893 68.868 0.237 0.000 1.036 417 T HN 0.509 nan 8.240 nan 0.000 0.502 418 Y N 3.497 123.972 120.300 0.292 0.000 2.683 418 Y HA 0.148 4.698 4.550 -0.001 0.000 0.340 418 Y C 0.176 176.183 175.900 0.178 0.000 1.245 418 Y CA -0.591 57.674 58.100 0.275 0.000 1.485 418 Y CB 0.406 39.143 38.460 0.461 0.000 1.328 418 Y HN 0.553 nan 8.280 nan 0.000 0.603 419 L N 7.687 128.496 121.223 -0.691 0.000 2.312 419 L HA 0.366 4.705 4.340 -0.000 0.000 0.287 419 L C -0.393 176.236 176.870 -0.401 0.000 1.091 419 L CA -0.198 54.376 54.840 -0.444 0.000 0.846 419 L CB -0.308 41.506 42.059 -0.407 0.000 1.219 419 L HN 0.931 nan 8.230 nan 0.000 0.439 420 R N 3.429 123.894 120.500 -0.057 0.000 0.970 420 R HA -0.126 4.213 4.340 -0.000 0.000 0.431 420 R C -1.560 174.853 176.300 0.188 0.000 1.364 420 R CA 0.362 56.500 56.100 0.064 0.000 1.167 420 R CB -0.138 30.179 30.300 0.028 0.000 3.395 420 R HN 0.637 nan 8.270 nan 0.000 0.514 421 L N 4.870 126.197 121.223 0.173 0.000 2.335 421 L HA 0.557 4.897 4.340 -0.000 0.000 0.268 421 L C -0.523 176.414 176.870 0.111 0.000 1.037 421 L CA 0.191 55.125 54.840 0.156 0.000 0.895 421 L CB 0.706 42.846 42.059 0.134 0.000 1.266 421 L HN 0.782 nan 8.230 nan 0.000 0.439 422 S N 1.669 117.442 115.700 0.122 0.000 2.739 422 S HA 0.419 4.889 4.470 -0.000 0.000 0.306 422 S C 0.551 175.165 174.600 0.024 0.000 1.115 422 S CA -0.776 57.474 58.200 0.084 0.000 0.985 422 S CB 1.759 65.032 63.200 0.121 0.000 1.133 422 S HN 0.536 nan 8.310 nan 0.000 0.541 423 D N 0.923 121.321 120.400 -0.004 0.000 2.144 423 D HA -0.112 4.527 4.640 -0.000 0.000 0.199 423 D C 1.262 177.511 176.300 -0.086 0.000 0.984 423 D CA 1.300 55.270 54.000 -0.051 0.000 0.834 423 D CB -0.322 40.453 40.800 -0.042 0.000 0.955 423 D HN 0.606 nan 8.370 nan 0.000 0.465 424 D N 0.389 120.738 120.400 -0.084 0.000 2.144 424 D HA -0.147 4.493 4.640 -0.000 0.000 0.199 424 D C 2.251 178.391 176.300 -0.268 0.000 0.984 424 D CA 0.437 54.307 54.000 -0.217 0.000 0.834 424 D CB -0.030 40.598 40.800 -0.286 0.000 0.955 424 D HN 0.179 nan 8.370 nan 0.000 0.465 425 L N 0.814 122.004 121.223 -0.056 0.000 2.093 425 L HA -0.124 4.215 4.340 -0.000 0.000 0.208 425 L C 1.820 178.701 176.870 0.018 0.000 1.085 425 L CA 1.235 56.124 54.840 0.081 0.000 0.755 425 L CB -0.196 41.984 42.059 0.202 0.000 0.904 425 L HN -0.069 nan 8.230 nan 0.000 0.435 426 L N -0.146 120.988 121.223 -0.148 0.000 2.554 426 L HA 0.097 4.437 4.340 -0.000 0.000 0.226 426 L C 1.190 177.919 176.870 -0.235 0.000 1.137 426 L CA 0.625 55.225 54.840 -0.400 0.000 0.863 426 L CB -1.572 40.209 42.059 -0.463 0.000 0.985 426 L HN 0.494 nan 8.230 nan 0.000 0.451 427 Q N 1.219 120.944 119.800 -0.125 0.000 2.333 427 Q HA -0.153 4.187 4.340 -0.000 0.000 0.299 427 Q C 1.390 177.390 176.000 0.000 0.000 1.067 427 Q CA 0.224 55.979 55.803 -0.080 0.000 0.943 427 Q CB 0.783 29.462 28.738 -0.099 0.000 1.233 427 Q HN 0.112 nan 8.270 nan 0.000 0.401 428 K N 2.711 123.115 120.400 0.006 0.000 2.059 428 K HA -0.191 4.129 4.320 -0.000 0.000 0.212 428 K C 1.469 178.123 176.600 0.090 0.000 1.050 428 K CA 2.434 58.755 56.287 0.057 0.000 0.927 428 K CB -0.212 32.308 32.500 0.033 0.000 0.714 428 K HN 0.664 nan 8.250 nan 0.000 0.447 429 S N 1.178 116.911 115.700 0.056 0.000 2.395 429 S HA -0.030 4.439 4.470 -0.000 0.000 0.225 429 S C 1.664 176.327 174.600 0.106 0.000 1.027 429 S CA 0.796 59.037 58.200 0.069 0.000 0.965 429 S CB -0.293 62.933 63.200 0.043 0.000 0.812 429 S HN 0.361 nan 8.310 nan 0.000 0.482 430 N N 1.525 120.280 118.700 0.092 0.000 2.058 430 N HA -0.025 4.715 4.740 -0.000 0.000 0.191 430 N C 1.354 177.025 175.510 0.268 0.000 1.037 430 N CA 1.050 54.191 53.050 0.152 0.000 0.848 430 N CB -0.660 37.824 38.487 -0.006 0.000 1.021 430 N HN 0.330 nan 8.380 nan 0.000 0.422 431 F N 1.905 121.884 119.950 0.048 0.000 2.216 431 F HA -0.043 4.485 4.527 0.000 0.000 0.300 431 F C 1.964 177.832 175.800 0.113 0.000 1.085 431 F CA 1.097 59.139 58.000 0.071 0.000 1.326 431 F CB -0.345 38.660 39.000 0.008 0.000 1.027 431 F HN 0.133 nan 8.300 nan 0.000 0.497 432 N N -0.066 118.740 118.700 0.176 0.000 2.223 432 N HA -0.177 4.563 4.740 -0.000 0.000 0.185 432 N C 1.796 177.309 175.510 0.005 0.000 1.016 432 N CA 1.020 54.105 53.050 0.059 0.000 0.863 432 N CB 0.046 38.574 38.487 0.069 0.000 0.983 432 N HN 0.169 nan 8.380 nan 0.000 0.429 433 I N 0.540 121.157 120.570 0.078 0.000 2.202 433 I HA -0.224 3.945 4.170 -0.000 0.000 0.242 433 I C 2.078 178.145 176.117 -0.083 0.000 1.091 433 I CA 1.005 62.351 61.300 0.077 0.000 1.368 433 I CB -1.301 36.857 38.000 0.264 0.000 1.058 433 I HN 0.098 nan 8.210 nan 0.000 0.410 434 F N 2.596 122.393 119.950 -0.255 0.000 2.091 434 F HA -0.255 4.272 4.527 0.000 0.000 0.299 434 F C 2.528 178.037 175.800 -0.484 0.000 1.103 434 F CA 1.849 59.549 58.000 -0.499 0.000 1.228 434 F CB -0.266 38.498 39.000 -0.394 0.000 0.984 434 F HN -0.026 nan 8.300 nan 0.000 0.477 435 K N 0.019 120.179 120.400 -0.400 0.000 2.113 435 K HA -0.239 4.081 4.320 -0.000 0.000 0.208 435 K C 2.056 178.398 176.600 -0.429 0.000 1.047 435 K CA 1.933 57.944 56.287 -0.460 0.000 0.928 435 K CB -0.280 32.026 32.500 -0.324 0.000 0.716 435 K HN 0.251 nan 8.250 nan 0.000 0.446 436 K N 0.226 120.433 120.400 -0.322 0.000 2.103 436 K HA -0.110 4.210 4.320 -0.000 0.000 0.204 436 K C 1.823 178.222 176.600 -0.336 0.000 1.052 436 K CA 0.974 57.102 56.287 -0.264 0.000 0.945 436 K CB -0.223 32.187 32.500 -0.150 0.000 0.722 436 K HN 0.077 nan 8.250 nan 0.000 0.443 437 F N 0.760 120.318 119.950 -0.654 0.000 2.134 437 F HA -0.197 4.330 4.527 -0.001 0.000 0.299 437 F C 1.601 176.948 175.800 -0.754 0.000 1.097 437 F CA 1.159 58.712 58.000 -0.746 0.000 1.264 437 F CB -0.458 37.780 39.000 -1.271 0.000 1.001 437 F HN -0.253 nan 8.300 nan 0.000 0.479 438 V N 0.759 119.995 119.914 -1.129 0.000 2.343 438 V HA -0.264 3.856 4.120 -0.000 0.000 0.247 438 V C 2.448 177.924 176.094 -1.030 0.000 1.051 438 V CA 1.747 63.269 62.300 -1.298 0.000 1.036 438 V CB -0.902 30.270 31.823 -1.085 0.000 0.654 438 V HN 0.501 nan 8.190 nan 0.000 0.451 439 L N 0.279 121.118 121.223 -0.639 0.000 2.012 439 L HA -0.152 4.188 4.340 -0.000 0.000 0.210 439 L C 2.423 179.073 176.870 -0.367 0.000 1.073 439 L CA 2.008 56.606 54.840 -0.402 0.000 0.748 439 L CB -0.710 41.198 42.059 -0.252 0.000 0.891 439 L HN 0.151 nan 8.230 nan 0.000 0.431 440 K N -0.924 119.249 120.400 -0.378 0.000 2.155 440 K HA -0.050 4.270 4.320 -0.000 0.000 0.203 440 K C 2.051 178.435 176.600 -0.359 0.000 1.052 440 K CA 1.157 57.274 56.287 -0.284 0.000 0.948 440 K CB -0.438 31.948 32.500 -0.189 0.000 0.728 440 K HN 0.357 nan 8.250 nan 0.000 0.448 441 M N 0.315 119.558 119.600 -0.595 0.000 2.149 441 M HA -0.146 4.334 4.480 -0.000 0.000 0.261 441 M C 1.536 177.508 176.300 -0.545 0.000 1.064 441 M CA 1.644 56.569 55.300 -0.625 0.000 1.102 441 M CB -1.066 30.962 32.600 -0.953 0.000 1.369 441 M HN 0.296 nan 8.290 nan 0.000 0.408 442 H N -0.325 118.329 119.070 -0.693 0.000 2.543 442 H HA 0.273 4.829 4.556 -0.000 0.000 0.269 442 H C 0.843 175.938 175.328 -0.388 0.000 1.005 442 H CA 0.053 55.605 56.048 -0.827 0.000 1.146 442 H CB 0.136 29.455 29.762 -0.739 0.000 1.353 442 H HN 0.499 nan 8.280 nan 0.000 0.595 443 A N 1.506 124.209 122.820 -0.195 0.000 2.822 443 A HA -0.278 4.042 4.320 -0.000 0.000 0.287 443 A C 0.487 178.024 177.584 -0.079 0.000 1.479 443 A CA 0.845 52.811 52.037 -0.118 0.000 0.779 443 A CB -1.925 17.027 19.000 -0.081 0.000 1.022 443 A HN 0.722 nan 8.150 nan 0.000 0.532 444 D N -2.673 117.672 120.400 -0.092 0.000 3.006 444 D HA -0.147 4.492 4.640 -0.000 0.000 0.205 444 D C 0.218 176.499 176.300 -0.032 0.000 1.075 444 D CA 1.991 55.952 54.000 -0.065 0.000 1.000 444 D CB -0.664 40.103 40.800 -0.055 0.000 1.097 444 D HN 0.898 nan 8.370 nan 0.000 0.426 445 Q N 0.567 120.365 119.800 -0.003 0.000 2.215 445 Q HA 0.379 4.719 4.340 -0.000 0.000 0.256 445 Q C 0.219 176.249 176.000 0.051 0.000 0.972 445 Q CA -0.450 55.368 55.803 0.024 0.000 0.889 445 Q CB 1.068 29.837 28.738 0.052 0.000 1.281 445 Q HN 0.088 nan 8.270 nan 0.000 0.456 446 D N 0.611 121.035 120.400 0.039 0.000 2.357 446 D HA 0.007 4.647 4.640 -0.000 0.000 0.242 446 D C -0.085 176.272 176.300 0.095 0.000 1.153 446 D CA -0.099 53.945 54.000 0.075 0.000 0.918 446 D CB 0.290 41.122 40.800 0.054 0.000 1.181 446 D HN 0.356 nan 8.370 nan 0.000 0.435 447 Y N 0.637 120.941 120.300 0.006 0.000 2.904 447 Y HA -0.046 4.504 4.550 -0.000 0.000 0.336 447 Y C -0.219 175.634 175.900 -0.078 0.000 1.263 447 Y CA -0.380 57.692 58.100 -0.046 0.000 1.547 447 Y CB 0.359 38.831 38.460 0.019 0.000 1.272 447 Y HN 0.277 nan 8.280 nan 0.000 0.596 448 C N 8.029 126.761 119.300 -0.947 0.000 2.321 448 C HA 0.704 5.164 4.460 -0.000 0.000 0.323 448 C C 1.204 175.585 174.990 -1.016 0.000 1.191 448 C CA -0.145 58.355 59.018 -0.863 0.000 1.455 448 C CB -1.003 26.256 27.740 -0.802 0.000 2.083 448 C HN 1.086 nan 8.230 nan 0.000 0.442 449 A N 4.534 126.832 122.820 -0.870 0.000 1.969 449 A HA -0.006 4.314 4.320 -0.000 0.000 0.218 449 A C 1.135 178.561 177.584 -0.263 0.000 1.169 449 A CA 1.203 52.940 52.037 -0.499 0.000 0.635 449 A CB -0.305 18.621 19.000 -0.124 0.000 0.810 449 A HN 0.816 nan 8.150 nan 0.000 0.445 450 N N 0.045 118.576 118.700 -0.282 0.000 2.462 450 N HA 0.274 5.014 4.740 -0.000 0.000 0.242 450 N C -2.225 173.032 175.510 -0.422 0.000 1.010 450 N CA -2.446 50.450 53.050 -0.256 0.000 0.939 450 N CB 1.343 39.711 38.487 -0.198 0.000 1.127 450 N HN -0.043 nan 8.380 nan 0.000 0.509 451 P HA -0.126 nan 4.420 nan 0.000 0.223 451 P C 1.095 177.895 177.300 -0.833 0.000 1.151 451 P CA 0.831 63.353 63.100 -0.963 0.000 0.787 451 P CB 0.413 31.807 31.700 -0.509 0.000 0.788 452 Q N 0.772 120.317 119.800 -0.425 0.000 2.135 452 Q HA -0.201 4.138 4.340 -0.000 0.000 0.204 452 Q C 1.874 177.698 176.000 -0.294 0.000 0.981 452 Q CA 1.692 57.329 55.803 -0.276 0.000 0.856 452 Q CB -0.256 28.378 28.738 -0.174 0.000 0.902 452 Q HN 0.200 nan 8.270 nan 0.000 0.425 453 K N -0.134 120.058 120.400 -0.348 0.000 2.147 453 K HA -0.176 4.144 4.320 -0.000 0.000 0.205 453 K C 0.948 177.425 176.600 -0.206 0.000 1.049 453 K CA 1.445 57.581 56.287 -0.252 0.000 0.936 453 K CB -0.097 32.262 32.500 -0.236 0.000 0.722 453 K HN 0.466 nan 8.250 nan 0.000 0.446 454 Y N -0.643 119.523 120.300 -0.224 0.000 2.756 454 Y HA 0.350 4.899 4.550 -0.001 0.000 0.300 454 Y C -0.423 175.479 175.900 0.003 0.000 1.113 454 Y CA -1.084 56.911 58.100 -0.174 0.000 1.291 454 Y CB -1.095 37.172 38.460 -0.322 0.000 1.175 454 Y HN 0.051 nan 8.280 nan 0.000 0.534 455 N N 1.583 120.253 118.700 -0.049 0.000 2.740 455 N HA -0.270 4.470 4.740 -0.000 0.000 0.248 455 N C -0.512 175.083 175.510 0.142 0.000 1.062 455 N CA 0.595 53.671 53.050 0.043 0.000 0.704 455 N CB -0.955 37.586 38.487 0.091 0.000 0.968 455 N HN 0.784 nan 8.380 nan 0.000 0.547 456 H N -1.276 117.683 119.070 -0.184 0.000 2.562 456 H HA 0.263 4.819 4.556 -0.000 0.000 0.249 456 H C 0.366 175.641 175.328 -0.089 0.000 1.195 456 H CA 0.146 56.148 56.048 -0.077 0.000 0.938 456 H CB 0.523 30.159 29.762 -0.211 0.000 1.891 456 H HN 0.364 nan 8.280 nan 0.000 0.595 457 A N 1.460 124.275 122.820 -0.008 0.000 2.445 457 A HA 0.353 4.673 4.320 -0.000 0.000 0.242 457 A C 0.344 177.945 177.584 0.029 0.000 1.075 457 A CA -0.061 51.963 52.037 -0.021 0.000 0.777 457 A CB 0.202 19.175 19.000 -0.044 0.000 1.013 457 A HN 0.390 nan 8.150 nan 0.000 0.493 458 I N 1.821 122.410 120.570 0.032 0.000 2.354 458 I HA 0.308 4.478 4.170 -0.000 0.000 0.292 458 I C 0.332 176.459 176.117 0.017 0.000 0.989 458 I CA -0.225 61.102 61.300 0.045 0.000 1.188 458 I CB 1.759 39.800 38.000 0.068 0.000 1.342 458 I HN 0.564 nan 8.210 nan 0.000 0.457 459 T N 6.198 120.755 114.554 0.005 0.000 2.936 459 T HA 0.377 4.727 4.350 -0.000 0.000 0.282 459 T C -2.508 172.190 174.700 -0.003 0.000 1.003 459 T CA -1.409 60.687 62.100 -0.008 0.000 1.005 459 T CB 1.456 70.309 68.868 -0.026 0.000 1.097 459 T HN 0.291 nan 8.240 nan 0.000 0.532 460 P HA 0.108 nan 4.420 nan 0.000 0.267 460 P C -0.110 177.192 177.300 0.004 0.000 1.205 460 P CA -0.261 62.845 63.100 0.011 0.000 0.765 460 P CB 0.263 31.969 31.700 0.009 0.000 0.828 461 L N 4.111 125.353 121.223 0.032 0.000 2.559 461 L HA -0.039 4.301 4.340 -0.000 0.000 0.274 461 L C 0.956 177.844 176.870 0.030 0.000 1.205 461 L CA 0.551 55.416 54.840 0.042 0.000 0.907 461 L CB 0.233 42.353 42.059 0.102 0.000 1.153 461 L HN 0.317 nan 8.230 nan 0.000 0.490 462 K N 5.273 125.669 120.400 -0.006 0.000 2.177 462 K HA 0.521 4.841 4.320 -0.000 0.000 0.238 462 K C -2.258 174.398 176.600 0.092 0.000 1.015 462 K CA -2.373 53.915 56.287 0.002 0.000 0.922 462 K CB -0.036 32.410 32.500 -0.090 0.000 1.127 462 K HN 0.287 nan 8.250 nan 0.000 0.469 463 P HA 0.143 nan 4.420 nan 0.000 0.272 463 P C -0.461 176.946 177.300 0.179 0.000 1.223 463 P CA -0.135 63.035 63.100 0.117 0.000 0.784 463 P CB 0.469 32.214 31.700 0.075 0.000 0.923 464 S N 0.660 116.446 115.700 0.142 0.000 2.568 464 S HA 0.340 4.810 4.470 -0.000 0.000 0.282 464 S C 0.595 175.188 174.600 -0.011 0.000 1.338 464 S CA -0.337 57.889 58.200 0.044 0.000 1.045 464 S CB 0.097 63.291 63.200 -0.010 0.000 0.873 464 S HN 0.583 nan 8.310 nan 0.000 0.516 465 A N 4.385 127.139 122.820 -0.110 0.000 2.366 465 A HA 0.495 4.814 4.320 -0.000 0.000 0.250 465 A C -2.282 175.230 177.584 -0.119 0.000 1.099 465 A CA -1.227 50.761 52.037 -0.082 0.000 0.794 465 A CB -0.725 18.217 19.000 -0.097 0.000 1.056 465 A HN 0.521 nan 8.150 nan 0.000 0.499 466 P HA 0.061 nan 4.420 nan 0.000 0.269 466 P C -0.410 176.837 177.300 -0.087 0.000 1.215 466 P CA -0.357 62.707 63.100 -0.061 0.000 0.780 466 P CB 0.321 32.002 31.700 -0.032 0.000 0.898 467 K N 2.144 122.506 120.400 -0.063 0.000 2.491 467 K HA 0.047 4.367 4.320 -0.000 0.000 0.279 467 K C 0.072 176.645 176.600 -0.045 0.000 1.026 467 K CA 0.458 56.713 56.287 -0.053 0.000 1.070 467 K CB -0.421 32.068 32.500 -0.019 0.000 0.887 467 K HN 0.403 nan 8.250 nan 0.000 0.481 468 I N 7.448 127.988 120.570 -0.050 0.000 2.325 468 I HA 0.124 4.294 4.170 -0.000 0.000 0.291 468 I C -1.751 174.359 176.117 -0.013 0.000 1.019 468 I CA -2.150 59.130 61.300 -0.033 0.000 1.302 468 I CB 1.032 39.008 38.000 -0.039 0.000 1.401 468 I HN 0.365 nan 8.210 nan 0.000 0.485 469 P HA 0.056 nan 4.420 nan 0.000 0.269 469 P C 0.936 178.241 177.300 0.009 0.000 1.209 469 P CA -0.260 62.844 63.100 0.006 0.000 0.776 469 P CB 0.880 32.586 31.700 0.010 0.000 0.876 470 I N 2.367 122.946 120.570 0.015 0.000 2.182 470 I HA -0.357 3.812 4.170 -0.000 0.000 0.248 470 I C 1.764 177.890 176.117 0.015 0.000 1.073 470 I CA 1.985 63.294 61.300 0.016 0.000 1.335 470 I CB -0.419 37.594 38.000 0.023 0.000 1.031 470 I HN 0.402 nan 8.210 nan 0.000 0.420 471 E N -0.567 119.643 120.200 0.018 0.000 2.058 471 E HA -0.195 4.155 4.350 -0.000 0.000 0.194 471 E C 2.231 178.837 176.600 0.009 0.000 0.997 471 E CA 1.830 58.240 56.400 0.017 0.000 0.801 471 E CB -0.491 29.221 29.700 0.019 0.000 0.746 471 E HN 0.405 nan 8.360 nan 0.000 0.450 472 V N 0.975 120.893 119.914 0.007 0.000 2.407 472 V HA -0.228 3.892 4.120 -0.000 0.000 0.248 472 V C 2.211 178.304 176.094 -0.001 0.000 1.055 472 V CA 1.392 63.693 62.300 0.002 0.000 1.049 472 V CB -0.492 31.330 31.823 -0.001 0.000 0.662 472 V HN 0.241 nan 8.190 nan 0.000 0.455 473 L N -0.923 120.300 121.223 -0.001 0.000 2.017 473 L HA -0.178 4.162 4.340 -0.000 0.000 0.208 473 L C 2.348 179.215 176.870 -0.005 0.000 1.073 473 L CA 1.155 55.993 54.840 -0.002 0.000 0.745 473 L CB -0.552 41.508 42.059 0.002 0.000 0.894 473 L HN 0.292 nan 8.230 nan 0.000 0.432 474 L N -0.139 121.082 121.223 -0.003 0.000 2.362 474 L HA -0.146 4.194 4.340 -0.000 0.000 0.219 474 L C 2.354 179.214 176.870 -0.016 0.000 1.134 474 L CA 1.397 56.232 54.840 -0.009 0.000 0.807 474 L CB -0.883 41.176 42.059 0.001 0.000 0.927 474 L HN 0.280 nan 8.230 nan 0.000 0.447 475 E N -0.587 119.607 120.200 -0.010 0.000 2.204 475 E HA -0.164 4.186 4.350 -0.000 0.000 0.195 475 E C 1.988 178.577 176.600 -0.017 0.000 0.990 475 E CA 0.970 57.363 56.400 -0.011 0.000 0.821 475 E CB -0.126 29.571 29.700 -0.005 0.000 0.750 475 E HN 0.495 nan 8.360 nan 0.000 0.477 476 A N 1.284 124.094 122.820 -0.017 0.000 2.235 476 A HA -0.069 4.251 4.320 -0.000 0.000 0.208 476 A C 2.176 179.739 177.584 -0.034 0.000 1.172 476 A CA 1.181 53.207 52.037 -0.018 0.000 0.786 476 A CB -0.703 18.291 19.000 -0.010 0.000 0.804 476 A HN 0.327 nan 8.150 nan 0.000 0.479 477 T N -2.129 112.395 114.554 -0.050 0.000 3.072 477 T HA -0.009 4.341 4.350 -0.000 0.000 0.266 477 T C 0.889 175.545 174.700 -0.074 0.000 1.127 477 T CA 0.574 62.625 62.100 -0.081 0.000 1.107 477 T CB -0.510 68.290 68.868 -0.115 0.000 0.910 477 T HN 0.452 nan 8.240 nan 0.000 0.513 478 K N 3.364 123.735 120.400 -0.049 0.000 2.430 478 K HA 0.121 4.440 4.320 -0.000 0.000 0.280 478 K C -2.522 174.054 176.600 -0.039 0.000 1.063 478 K CA -1.460 54.803 56.287 -0.041 0.000 1.071 478 K CB 0.159 32.642 32.500 -0.027 0.000 0.899 478 K HN 0.147 nan 8.250 nan 0.000 0.473 479 P HA 0.037 nan 4.420 nan 0.000 0.271 479 P C -1.055 176.226 177.300 -0.030 0.000 1.216 479 P CA -0.206 62.873 63.100 -0.035 0.000 0.776 479 P CB 1.091 32.771 31.700 -0.033 0.000 0.881 480 T N -0.430 114.105 114.554 -0.032 0.000 2.906 480 T HA 0.612 4.962 4.350 -0.000 0.000 0.295 480 T C -0.219 174.449 174.700 -0.053 0.000 1.075 480 T CA -1.005 61.066 62.100 -0.048 0.000 1.005 480 T CB 0.685 69.515 68.868 -0.064 0.000 1.136 480 T HN 0.077 nan 8.240 nan 0.000 0.498 481 L N 2.622 123.803 121.223 -0.070 0.000 2.349 481 L HA 0.423 4.763 4.340 -0.000 0.000 0.275 481 L C -1.585 175.219 176.870 -0.111 0.000 1.115 481 L CA -1.885 52.917 54.840 -0.063 0.000 0.820 481 L CB 0.264 42.294 42.059 -0.049 0.000 1.135 481 L HN 0.570 nan 8.230 nan 0.000 0.445 482 P HA 0.106 nan 4.420 nan 0.000 0.272 482 P C -0.727 176.581 177.300 0.013 0.000 1.254 482 P CA -0.205 62.889 63.100 -0.010 0.000 0.795 482 P CB 0.400 32.118 31.700 0.029 0.000 1.022 483 F N -0.368 119.780 119.950 0.330 0.000 2.380 483 F HA 0.321 4.848 4.527 -0.000 0.000 0.325 483 F C -1.527 174.535 175.800 0.437 0.000 1.136 483 F CA -1.843 56.360 58.000 0.339 0.000 1.171 483 F CB -0.586 38.620 39.000 0.342 0.000 1.230 483 F HN 0.132 nan 8.300 nan 0.000 0.554 484 P HA 0.010 nan 4.420 nan 0.000 0.276 484 P C -0.824 176.777 177.300 0.500 0.000 1.243 484 P CA -0.203 63.145 63.100 0.414 0.000 0.768 484 P CB 0.448 32.295 31.700 0.246 0.000 0.856 485 W N 3.167 124.536 121.300 0.116 0.000 2.448 485 W HA 0.254 4.913 4.660 -0.001 0.000 0.339 485 W C -0.177 176.381 176.519 0.065 0.000 1.124 485 W CA -0.752 56.651 57.345 0.097 0.000 1.262 485 W CB 1.647 31.164 29.460 0.095 0.000 1.251 485 W HN 0.156 nan 8.180 nan 0.000 0.597 486 L N 4.207 125.536 121.223 0.176 0.000 2.466 486 L HA 0.126 4.465 4.340 -0.000 0.000 0.257 486 L C -1.015 175.969 176.870 0.190 0.000 1.189 486 L CA -1.866 53.050 54.840 0.126 0.000 0.813 486 L CB -0.063 42.021 42.059 0.041 0.000 1.118 486 L HN 0.242 nan 8.230 nan 0.000 0.471 487 P HA 0.027 nan 4.420 nan 0.000 0.224 487 P C -0.281 177.083 177.300 0.107 0.000 1.157 487 P CA 0.733 63.905 63.100 0.121 0.000 0.799 487 P CB 0.787 32.536 31.700 0.082 0.000 0.809 488 E N -1.750 118.501 120.200 0.086 0.000 2.366 488 E HA 0.254 4.604 4.350 -0.000 0.000 0.278 488 E C -0.840 175.790 176.600 0.050 0.000 0.923 488 E CA -0.625 55.817 56.400 0.069 0.000 0.761 488 E CB 2.280 32.009 29.700 0.048 0.000 1.231 488 E HN -0.282 nan 8.360 nan 0.000 0.443 489 T N 0.528 115.110 114.554 0.047 0.000 2.926 489 T HA -0.025 4.325 4.350 -0.000 0.000 0.307 489 T C 0.795 175.498 174.700 0.006 0.000 1.059 489 T CA -0.055 62.057 62.100 0.019 0.000 1.122 489 T CB 0.336 69.219 68.868 0.025 0.000 0.972 489 T HN 0.531 nan 8.240 nan 0.000 0.545 490 D N 3.318 123.709 120.400 -0.014 0.000 2.349 490 D HA -0.001 4.639 4.640 -0.000 0.000 0.224 490 D C 0.430 176.715 176.300 -0.024 0.000 1.029 490 D CA 0.354 54.342 54.000 -0.019 0.000 0.879 490 D CB 0.043 40.825 40.800 -0.030 0.000 0.906 490 D HN 0.411 nan 8.370 nan 0.000 0.528 491 M N 1.453 121.039 119.600 -0.023 0.000 2.720 491 M HA 0.178 4.658 4.480 -0.000 0.000 0.250 491 M C -0.727 175.562 176.300 -0.019 0.000 1.280 491 M CA -0.333 54.947 55.300 -0.033 0.000 0.579 491 M CB 1.416 33.980 32.600 -0.060 0.000 1.469 491 M HN -0.160 nan 8.290 nan 0.000 0.416 492 K N -0.022 120.376 120.400 -0.004 0.000 2.168 492 K HA 0.335 4.655 4.320 -0.000 0.000 0.258 492 K C 0.987 177.592 176.600 0.008 0.000 1.010 492 K CA -0.498 55.798 56.287 0.016 0.000 0.929 492 K CB 1.867 34.381 32.500 0.023 0.000 0.998 492 K HN 0.067 nan 8.250 nan 0.000 0.479 493 V N 1.139 121.073 119.914 0.033 0.000 3.041 493 V HA -0.147 3.973 4.120 -0.000 0.000 0.260 493 V C -0.155 175.951 176.094 0.020 0.000 1.105 493 V CA 1.444 63.759 62.300 0.025 0.000 1.125 493 V CB -0.633 31.235 31.823 0.075 0.000 0.730 493 V HN 0.732 nan 8.190 nan 0.000 0.479 494 D N -0.440 119.976 120.400 0.026 0.000 2.233 494 D HA 0.584 5.224 4.640 -0.000 0.000 0.240 494 D C 0.302 176.607 176.300 0.008 0.000 1.074 494 D CA 0.566 54.578 54.000 0.020 0.000 0.838 494 D CB 1.580 42.395 40.800 0.026 0.000 1.124 494 D HN 0.311 nan 8.370 nan 0.000 0.475 495 G N 0.000 108.802 108.800 0.004 0.000 5.446 495 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 495 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 495 G CA 0.000 nan 45.100 nan 0.000 0.502 495 G HN 0.000 nan 8.290 nan 0.000 0.925