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 1y0p_1_A DATA FIRST_RESID 1 DATA SEQUENCE ADNLAEFHVQ NQECDSCHTP DGELSNDSLT YENTQCVSCH GTLAEVAETT DATA SEQUENCE KHEHYNAHAS HFPGEVACTS CHSAHEKSMV YCDSCHSFDF NMPYAKKWLR DATA SEQUENCE DEPTIAELAK DKSERQAALA SAPHDTVDVV VVGSGGAGFS AAISATDSGA DATA SEQUENCE KVILIEKEPV IGGNAKLAAG GMNAAWTDQQ KAKKITDSPE LMFEDTMKGG DATA SEQUENCE QNINDPALVK VLSSHSKDSV DWMTAMGADL TDVGMMGGAS VNRAHRPTGG DATA SEQUENCE AGVGAHVVQV LYDNAVKRNI DLRMNTRGIE VLKDDKGTVK GILVKGMYKG DATA SEQUENCE YYWVKADAVI LATGGFAKNN ERVAKLDPSL KGFISTNQPG AVGDGLDVAE DATA SEQUENCE NAGGALKDMQ YIQAHPTLSV KGGVMVTEAV RGNGAILVNR EGKRFVNEIT DATA SEQUENCE TRDKASAAIL AQTGKSAYLI FDDSVRKSLS KIDKYIGLGV APTADSLVKL DATA SEQUENCE GKMEGIDGKA LTETVARYNS LVSSGKDTDF ERPNLPRALN EGNYYAIEVT DATA SEQUENCE PGVHHTMGGV MIDTKAEVMN AKKQVIPGLY GAGEVTGGVH GANRLGGNAI DATA SEQUENCE SDIITFGRLA GEEAAKYS 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 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.748 177.584 0.274 0.000 1.274 1 A CA 0.000 52.178 52.037 0.235 0.000 0.836 1 A CB 0.000 19.149 19.000 0.249 0.000 0.831 2 D N 0.024 120.511 120.400 0.145 0.000 2.367 2 D HA 0.113 4.752 4.640 -0.000 0.000 0.207 2 D C 0.082 176.422 176.300 0.066 0.000 1.034 2 D CA 1.351 55.442 54.000 0.153 0.000 0.861 2 D CB 0.307 41.169 40.800 0.104 0.000 0.943 2 D HN 0.684 nan 8.370 nan 0.000 0.515 3 N N -1.162 117.414 118.700 -0.207 0.000 2.825 3 N HA 0.078 4.818 4.740 -0.000 0.000 0.253 3 N C 0.096 175.075 175.510 -0.886 0.000 1.426 3 N CA -0.708 52.044 53.050 -0.496 0.000 0.851 3 N CB 1.127 39.530 38.487 -0.140 0.000 1.470 3 N HN -0.248 nan 8.380 nan 0.000 0.517 4 L N 0.034 120.808 121.223 -0.748 0.000 2.093 4 L HA 0.254 4.594 4.340 -0.000 0.000 0.208 4 L C 2.084 178.963 176.870 0.015 0.000 1.085 4 L CA 2.301 56.914 54.840 -0.378 0.000 0.755 4 L CB -1.042 40.988 42.059 -0.048 0.000 0.904 4 L HN 0.853 nan 8.230 nan 0.000 0.435 5 A N -0.906 121.827 122.820 -0.144 0.000 1.898 5 A HA -0.247 4.073 4.320 -0.000 0.000 0.216 5 A C 2.315 179.925 177.584 0.043 0.000 1.181 5 A CA 1.636 53.601 52.037 -0.121 0.000 0.620 5 A CB -0.705 17.994 19.000 -0.501 0.000 0.819 5 A HN 0.582 nan 8.150 nan 0.000 0.442 6 E N -1.157 119.048 120.200 0.009 0.000 2.085 6 E HA -0.239 4.111 4.350 -0.000 0.000 0.194 6 E C 1.775 178.408 176.600 0.055 0.000 0.994 6 E CA 1.472 57.895 56.400 0.039 0.000 0.801 6 E CB -0.291 29.423 29.700 0.024 0.000 0.743 6 E HN 0.586 nan 8.360 nan 0.000 0.453 7 F N 1.009 120.919 119.950 -0.067 0.000 2.065 7 F HA -0.255 4.272 4.527 -0.000 0.000 0.298 7 F C 2.113 177.884 175.800 -0.048 0.000 1.112 7 F CA 2.473 60.448 58.000 -0.041 0.000 1.212 7 F CB -0.449 38.526 39.000 -0.043 0.000 0.975 7 F HN 0.135 nan 8.300 nan 0.000 0.476 8 H N -0.717 118.425 119.070 0.119 0.000 2.357 8 H HA -0.108 4.448 4.556 -0.000 0.000 0.301 8 H C 2.296 177.588 175.328 -0.061 0.000 1.082 8 H CA 2.303 58.380 56.048 0.049 0.000 1.342 8 H CB -0.663 29.169 29.762 0.116 0.000 1.389 8 H HN 0.283 nan 8.280 nan 0.000 0.511 9 V N -0.890 119.075 119.914 0.085 0.000 3.078 9 V HA -0.173 3.946 4.120 -0.000 0.000 0.265 9 V C 1.598 177.678 176.094 -0.024 0.000 1.122 9 V CA 1.154 63.480 62.300 0.044 0.000 1.141 9 V CB -0.474 31.390 31.823 0.068 0.000 0.735 9 V HN 0.396 nan 8.190 nan 0.000 0.498 10 Q N 1.211 120.950 119.800 -0.102 0.000 2.152 10 Q HA -0.142 4.198 4.340 -0.000 0.000 0.206 10 Q C 1.286 177.217 176.000 -0.116 0.000 0.985 10 Q CA 1.824 57.544 55.803 -0.138 0.000 0.863 10 Q CB -0.187 28.399 28.738 -0.253 0.000 0.904 10 Q HN 0.739 nan 8.270 nan 0.000 0.422 11 N N -0.777 117.852 118.700 -0.119 0.000 2.160 11 N HA 0.148 4.888 4.740 -0.000 0.000 0.226 11 N C -0.725 174.770 175.510 -0.024 0.000 1.256 11 N CA 0.163 53.167 53.050 -0.076 0.000 0.890 11 N CB 1.237 39.661 38.487 -0.106 0.000 1.116 11 N HN 0.165 nan 8.380 nan 0.000 0.517 12 Q N 0.064 119.867 119.800 0.004 0.000 2.416 12 Q HA 0.310 4.650 4.340 -0.000 0.000 0.281 12 Q C -0.942 175.087 176.000 0.048 0.000 1.067 12 Q CA -0.726 55.101 55.803 0.039 0.000 0.809 12 Q CB 2.356 31.145 28.738 0.084 0.000 1.418 12 Q HN -0.017 nan 8.270 nan 0.000 0.411 13 E N 0.100 120.330 120.200 0.051 0.000 2.314 13 E HA 0.113 4.463 4.350 -0.000 0.000 0.262 13 E C 0.547 177.200 176.600 0.089 0.000 1.093 13 E CA -0.089 56.346 56.400 0.059 0.000 0.908 13 E CB 0.998 30.728 29.700 0.050 0.000 1.091 13 E HN 0.765 nan 8.360 nan 0.000 0.425 14 C N 0.727 120.089 119.300 0.104 0.000 2.403 14 C HA -0.176 4.284 4.460 -0.000 0.000 0.277 14 C C 1.690 176.802 174.990 0.203 0.000 1.248 14 C CA 1.256 60.377 59.018 0.171 0.000 1.762 14 C CB -0.927 26.893 27.740 0.134 0.000 2.014 14 C HN 0.784 nan 8.230 nan 0.000 0.486 15 D N 1.343 121.827 120.400 0.141 0.000 2.363 15 D HA -0.058 4.582 4.640 -0.000 0.000 0.226 15 D C 1.701 178.080 176.300 0.132 0.000 1.020 15 D CA 1.085 55.175 54.000 0.149 0.000 0.892 15 D CB -0.612 40.249 40.800 0.102 0.000 0.900 15 D HN 0.603 nan 8.370 nan 0.000 0.531 16 S N -0.998 114.760 115.700 0.097 0.000 2.402 16 S HA -0.151 4.319 4.470 -0.000 0.000 0.229 16 S C 1.895 176.513 174.600 0.030 0.000 1.021 16 S CA 0.783 59.018 58.200 0.058 0.000 0.974 16 S CB -0.699 62.529 63.200 0.046 0.000 0.800 16 S HN 0.423 nan 8.310 nan 0.000 0.484 17 C N 0.223 119.533 119.300 0.018 0.000 2.689 17 C HA 0.427 4.887 4.460 -0.000 0.000 0.336 17 C C 1.025 176.006 174.990 -0.016 0.000 1.304 17 C CA -0.563 58.402 59.018 -0.088 0.000 1.860 17 C CB -0.752 26.835 27.740 -0.254 0.000 2.405 17 C HN 0.581 nan 8.230 nan 0.000 0.557 18 H N 1.294 120.465 119.070 0.168 0.000 2.496 18 H HA 0.298 4.854 4.556 -0.000 0.000 0.342 18 H C 0.398 175.775 175.328 0.082 0.000 1.170 18 H CA 0.529 56.659 56.048 0.138 0.000 1.274 18 H CB 1.124 30.923 29.762 0.061 0.000 1.538 18 H HN 0.291 nan 8.280 nan 0.000 0.542 19 T N -0.506 114.010 114.554 -0.063 0.000 2.734 19 T HA 0.012 4.362 4.350 -0.000 0.000 0.314 19 T C -1.572 173.069 174.700 -0.098 0.000 1.057 19 T CA -1.243 60.634 62.100 -0.371 0.000 1.047 19 T CB 0.367 68.969 68.868 -0.444 0.000 0.991 19 T HN 0.291 nan 8.240 nan 0.000 0.540 20 P HA -0.109 nan 4.420 nan 0.000 0.216 20 P C 1.229 178.504 177.300 -0.041 0.000 1.150 20 P CA 1.290 64.366 63.100 -0.040 0.000 0.843 20 P CB -0.050 31.625 31.700 -0.042 0.000 0.787 21 D N -2.729 117.634 120.400 -0.061 0.000 2.348 21 D HA 0.037 4.676 4.640 -0.000 0.000 0.211 21 D C 1.433 177.690 176.300 -0.073 0.000 0.998 21 D CA 1.017 54.983 54.000 -0.057 0.000 0.873 21 D CB -0.288 40.479 40.800 -0.054 0.000 0.925 21 D HN 0.254 nan 8.370 nan 0.000 0.524 22 G N 1.451 110.199 108.800 -0.085 0.000 2.195 22 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.246 22 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.246 22 G C 0.081 174.906 174.900 -0.126 0.000 0.984 22 G CA 0.186 45.188 45.100 -0.162 0.000 0.633 22 G HN 0.498 nan 8.290 nan 0.000 0.525 23 E N 0.702 120.866 120.200 -0.061 0.000 2.360 23 E HA 0.441 4.791 4.350 -0.000 0.000 0.269 23 E C 0.810 177.425 176.600 0.025 0.000 1.022 23 E CA -0.664 55.722 56.400 -0.023 0.000 0.887 23 E CB 0.231 29.916 29.700 -0.025 0.000 0.990 23 E HN 0.363 nan 8.360 nan 0.000 0.426 24 L N 3.807 125.067 121.223 0.063 0.000 2.490 24 L HA -0.062 4.278 4.340 -0.000 0.000 0.274 24 L C 1.887 178.781 176.870 0.040 0.000 1.201 24 L CA -0.050 54.840 54.840 0.082 0.000 0.869 24 L CB 0.772 42.884 42.059 0.089 0.000 1.123 24 L HN 0.733 nan 8.230 nan 0.000 0.484 25 S N 2.184 117.906 115.700 0.037 0.000 2.356 25 S HA -0.104 4.365 4.470 -0.000 0.000 0.223 25 S C 0.472 175.093 174.600 0.035 0.000 1.032 25 S CA 1.128 59.345 58.200 0.028 0.000 1.005 25 S CB -0.333 62.916 63.200 0.082 0.000 0.867 25 S HN 0.919 nan 8.310 nan 0.000 0.449 26 N N -1.148 117.579 118.700 0.045 0.000 3.356 26 N HA 0.233 4.973 4.740 -0.000 0.000 0.246 26 N C -1.104 174.461 175.510 0.093 0.000 1.480 26 N CA -0.304 52.777 53.050 0.051 0.000 0.877 26 N CB -0.193 38.324 38.487 0.049 0.000 1.431 26 N HN -0.167 nan 8.380 nan 0.000 0.500 27 D N -0.455 120.027 120.400 0.137 0.000 2.312 27 D HA -0.005 4.635 4.640 -0.000 0.000 0.211 27 D C 0.429 176.868 176.300 0.230 0.000 0.964 27 D CA 0.988 55.140 54.000 0.253 0.000 0.877 27 D CB -0.074 40.857 40.800 0.219 0.000 0.924 27 D HN 0.507 nan 8.370 nan 0.000 0.515 28 S N 0.189 115.967 115.700 0.130 0.000 2.562 28 S HA 0.059 4.529 4.470 -0.000 0.000 0.221 28 S C 1.219 175.842 174.600 0.038 0.000 0.975 28 S CA -0.128 58.131 58.200 0.099 0.000 0.918 28 S CB 0.127 63.382 63.200 0.091 0.000 0.772 28 S HN 0.312 nan 8.310 nan 0.000 0.531 29 L N 1.522 122.737 121.223 -0.013 0.000 3.742 29 L HA -0.275 4.065 4.340 -0.000 0.000 0.431 29 L C 1.284 178.153 176.870 -0.001 0.000 1.220 29 L CA 0.135 54.932 54.840 -0.071 0.000 0.863 29 L CB -2.446 39.481 42.059 -0.220 0.000 1.751 29 L HN 0.265 nan 8.230 nan 0.000 0.922 30 T N -1.536 113.046 114.554 0.045 0.000 2.652 30 T HA -0.252 4.098 4.350 -0.000 0.000 0.267 30 T C 1.446 176.179 174.700 0.054 0.000 1.039 30 T CA 2.087 64.219 62.100 0.054 0.000 1.153 30 T CB -0.185 68.728 68.868 0.074 0.000 0.863 30 T HN 0.603 nan 8.240 nan 0.000 0.428 31 Y N 2.004 122.293 120.300 -0.018 0.000 2.145 31 Y HA -0.179 4.371 4.550 -0.000 0.000 0.286 31 Y C 2.319 178.192 175.900 -0.046 0.000 1.145 31 Y CA 1.667 59.755 58.100 -0.021 0.000 1.148 31 Y CB -0.174 38.281 38.460 -0.010 0.000 0.981 31 Y HN 0.197 nan 8.280 nan 0.000 0.507 32 E N 0.145 120.396 120.200 0.085 0.000 2.047 32 E HA -0.186 4.163 4.350 -0.000 0.000 0.191 32 E C 1.975 178.501 176.600 -0.123 0.000 0.987 32 E CA 1.428 57.806 56.400 -0.037 0.000 0.799 32 E CB -0.359 29.295 29.700 -0.076 0.000 0.752 32 E HN 0.465 nan 8.360 nan 0.000 0.449 33 N N -0.038 118.609 118.700 -0.090 0.000 2.166 33 N HA -0.109 4.631 4.740 -0.000 0.000 0.186 33 N C 1.631 177.082 175.510 -0.099 0.000 1.019 33 N CA 1.450 54.453 53.050 -0.078 0.000 0.856 33 N CB -0.216 38.249 38.487 -0.037 0.000 0.993 33 N HN 0.172 nan 8.380 nan 0.000 0.426 34 T N 1.816 116.285 114.554 -0.141 0.000 2.759 34 T HA -0.107 4.243 4.350 -0.000 0.000 0.269 34 T C 1.804 176.382 174.700 -0.204 0.000 1.042 34 T CA 1.040 63.037 62.100 -0.172 0.000 1.140 34 T CB -0.007 68.725 68.868 -0.225 0.000 0.864 34 T HN 0.233 nan 8.240 nan 0.000 0.455 35 Q N 0.488 120.129 119.800 -0.266 0.000 2.083 35 Q HA -0.006 4.333 4.340 -0.000 0.000 0.198 35 Q C 2.790 178.728 176.000 -0.103 0.000 0.969 35 Q CA 0.949 56.627 55.803 -0.208 0.000 0.838 35 Q CB -1.292 27.314 28.738 -0.220 0.000 0.900 35 Q HN 0.608 nan 8.270 nan 0.000 0.436 36 C N 0.080 119.329 119.300 -0.085 0.000 2.413 36 C HA -0.075 4.385 4.460 -0.000 0.000 0.276 36 C C 2.822 177.842 174.990 0.050 0.000 1.236 36 C CA 0.525 59.541 59.018 -0.003 0.000 1.735 36 C CB -1.193 26.511 27.740 -0.060 0.000 2.031 36 C HN 0.234 nan 8.230 nan 0.000 0.474 37 V N 2.145 122.052 119.914 -0.012 0.000 2.515 37 V HA -0.173 3.947 4.120 -0.000 0.000 0.250 37 V C 2.730 178.814 176.094 -0.015 0.000 1.058 37 V CA 2.323 64.621 62.300 -0.004 0.000 1.064 37 V CB -0.896 30.912 31.823 -0.025 0.000 0.675 37 V HN 0.790 nan 8.190 nan 0.000 0.461 38 S N -0.992 114.680 115.700 -0.045 0.000 2.400 38 S HA -0.235 4.234 4.470 -0.000 0.000 0.232 38 S C 1.874 176.442 174.600 -0.053 0.000 1.025 38 S CA 1.898 60.065 58.200 -0.055 0.000 0.993 38 S CB -0.802 62.350 63.200 -0.079 0.000 0.808 38 S HN 0.589 nan 8.310 nan 0.000 0.478 39 C N 0.301 119.566 119.300 -0.057 0.000 2.513 39 C HA 0.332 4.792 4.460 -0.000 0.000 0.292 39 C C 2.522 177.389 174.990 -0.204 0.000 1.359 39 C CA 0.100 59.038 59.018 -0.135 0.000 1.778 39 C CB -1.098 26.534 27.740 -0.180 0.000 2.180 39 C HN 0.663 nan 8.230 nan 0.000 0.509 40 H N 0.363 119.406 119.070 -0.044 0.000 2.562 40 H HA 0.282 4.838 4.556 -0.000 0.000 0.267 40 H C 1.437 176.723 175.328 -0.070 0.000 0.959 40 H CA 1.294 57.307 56.048 -0.059 0.000 1.204 40 H CB 0.147 29.861 29.762 -0.081 0.000 1.430 40 H HN 0.583 nan 8.280 nan 0.000 0.545 41 G N 0.977 109.800 108.800 0.039 0.000 2.710 41 G HA2 -0.253 3.706 3.960 -0.000 0.000 0.668 41 G HA3 -0.253 3.706 3.960 -0.000 0.000 0.668 41 G C 0.296 175.195 174.900 -0.000 0.000 1.320 41 G CA -0.259 44.843 45.100 0.004 0.000 0.860 41 G HN 0.404 nan 8.290 nan 0.000 0.538 42 T N -1.500 113.048 114.554 -0.010 0.000 2.748 42 T HA 0.397 4.747 4.350 -0.000 0.000 0.304 42 T C 1.853 176.543 174.700 -0.017 0.000 1.041 42 T CA 0.611 62.706 62.100 -0.008 0.000 1.033 42 T CB 0.873 69.740 68.868 -0.003 0.000 0.995 42 T HN 1.634 nan 8.240 nan 0.000 0.536 43 L N 1.380 122.602 121.223 -0.002 0.000 2.042 43 L HA 0.028 4.367 4.340 -0.000 0.000 0.210 43 L C 2.802 179.672 176.870 0.000 0.000 1.076 43 L CA 2.385 57.231 54.840 0.009 0.000 0.749 43 L CB -1.432 40.653 42.059 0.042 0.000 0.893 43 L HN 0.944 nan 8.230 nan 0.000 0.432 44 A N -1.137 121.684 122.820 0.001 0.000 1.930 44 A HA -0.203 4.117 4.320 -0.000 0.000 0.217 44 A C 2.164 179.735 177.584 -0.021 0.000 1.175 44 A CA 1.711 53.747 52.037 -0.002 0.000 0.627 44 A CB -0.518 18.482 19.000 0.001 0.000 0.815 44 A HN 0.597 nan 8.150 nan 0.000 0.443 45 E N -0.387 119.795 120.200 -0.029 0.000 2.072 45 E HA -0.097 4.253 4.350 -0.000 0.000 0.191 45 E C 1.958 178.518 176.600 -0.065 0.000 0.985 45 E CA 1.157 57.534 56.400 -0.038 0.000 0.801 45 E CB -0.240 29.442 29.700 -0.029 0.000 0.750 45 E HN 0.377 nan 8.360 nan 0.000 0.452 46 V N 1.568 121.420 119.914 -0.104 0.000 2.392 46 V HA -0.284 3.836 4.120 -0.000 0.000 0.249 46 V C 2.347 178.314 176.094 -0.211 0.000 1.059 46 V CA 1.815 63.986 62.300 -0.215 0.000 1.051 46 V CB -0.725 30.856 31.823 -0.405 0.000 0.658 46 V HN 0.317 nan 8.190 nan 0.000 0.455 47 A N -0.627 122.132 122.820 -0.101 0.000 1.978 47 A HA -0.214 4.106 4.320 -0.000 0.000 0.220 47 A C 2.173 179.738 177.584 -0.030 0.000 1.170 47 A CA 1.558 53.594 52.037 -0.002 0.000 0.636 47 A CB -0.404 18.618 19.000 0.037 0.000 0.810 47 A HN 0.513 nan 8.150 nan 0.000 0.448 48 E N -0.329 119.842 120.200 -0.048 0.000 2.204 48 E HA -0.143 4.206 4.350 -0.000 0.000 0.195 48 E C 2.062 178.624 176.600 -0.064 0.000 0.990 48 E CA 1.715 58.084 56.400 -0.051 0.000 0.821 48 E CB -0.491 29.181 29.700 -0.045 0.000 0.750 48 E HN 0.836 nan 8.360 nan 0.000 0.477 49 T N -2.297 112.215 114.554 -0.070 0.000 3.107 49 T HA 0.030 4.380 4.350 -0.000 0.000 0.249 49 T C 1.269 175.923 174.700 -0.077 0.000 1.096 49 T CA 0.821 62.877 62.100 -0.072 0.000 1.012 49 T CB -0.051 68.777 68.868 -0.067 0.000 0.977 49 T HN 0.045 nan 8.240 nan 0.000 0.527 50 T N -1.135 113.382 114.554 -0.061 0.000 3.380 50 T HA 0.387 4.737 4.350 -0.000 0.000 0.289 50 T C -0.109 174.503 174.700 -0.147 0.000 1.012 50 T CA -0.794 61.276 62.100 -0.049 0.000 0.944 50 T CB -0.169 68.802 68.868 0.172 0.000 1.172 50 T HN 0.215 nan 8.240 nan 0.000 0.502 51 K N 2.426 122.707 120.400 -0.199 0.000 2.368 51 K HA 0.257 4.577 4.320 -0.000 0.000 0.282 51 K C -0.006 176.320 176.600 -0.456 0.000 1.035 51 K CA -0.242 55.901 56.287 -0.240 0.000 0.973 51 K CB 0.434 32.832 32.500 -0.170 0.000 0.957 51 K HN 0.506 nan 8.250 nan 0.000 0.474 52 H N 1.196 120.046 119.070 -0.366 0.000 2.651 52 H HA 0.031 4.587 4.556 -0.000 0.000 0.353 52 H C 0.795 175.894 175.328 -0.382 0.000 1.178 52 H CA -0.551 55.218 56.048 -0.465 0.000 1.224 52 H CB 1.788 30.974 29.762 -0.959 0.000 1.702 52 H HN 0.728 nan 8.280 nan 0.000 0.550 53 E N 0.211 120.286 120.200 -0.209 0.000 2.085 53 E HA -0.199 4.151 4.350 -0.000 0.000 0.194 53 E C 0.365 176.701 176.600 -0.440 0.000 0.994 53 E CA 1.395 57.577 56.400 -0.364 0.000 0.801 53 E CB 0.241 29.644 29.700 -0.495 0.000 0.743 53 E HN 0.521 nan 8.360 nan 0.000 0.453 54 H N -2.192 116.874 119.070 -0.006 0.000 2.784 54 H HA 0.152 4.707 4.556 -0.000 0.000 0.273 54 H C -0.755 174.601 175.328 0.048 0.000 1.112 54 H CA 0.232 56.310 56.048 0.049 0.000 1.162 54 H CB 0.412 30.241 29.762 0.113 0.000 1.586 54 H HN 0.188 nan 8.280 nan 0.000 0.548 55 Y N -1.301 118.914 120.300 -0.141 0.000 2.677 55 Y HA 0.451 5.001 4.550 -0.000 0.000 0.334 55 Y C -1.704 174.112 175.900 -0.140 0.000 1.196 55 Y CA -1.552 56.337 58.100 -0.353 0.000 1.059 55 Y CB 1.170 39.011 38.460 -1.031 0.000 1.315 55 Y HN -0.073 nan 8.280 nan 0.000 0.455 56 N N 0.466 119.151 118.700 -0.024 0.000 2.648 56 N HA 0.509 5.249 4.740 -0.000 0.000 0.272 56 N C 0.052 175.597 175.510 0.057 0.000 1.118 56 N CA 0.124 53.198 53.050 0.041 0.000 0.973 56 N CB 1.957 40.435 38.487 -0.016 0.000 1.565 56 N HN 1.069 nan 8.380 nan 0.000 0.542 57 A N 2.103 124.959 122.820 0.061 0.000 1.997 57 A HA -0.198 4.122 4.320 -0.000 0.000 0.221 57 A C 1.013 178.323 177.584 -0.457 0.000 1.172 57 A CA 1.602 53.405 52.037 -0.389 0.000 0.645 57 A CB -0.614 17.825 19.000 -0.936 0.000 0.813 57 A HN 0.855 nan 8.150 nan 0.000 0.454 58 H N -1.881 117.145 119.070 -0.074 0.000 2.549 58 H HA 0.589 5.145 4.556 -0.000 0.000 0.279 58 H C 0.279 175.571 175.328 -0.060 0.000 1.018 58 H CA 0.475 56.483 56.048 -0.067 0.000 1.175 58 H CB 0.402 30.137 29.762 -0.045 0.000 1.485 58 H HN 0.458 nan 8.280 nan 0.000 0.543 59 A N 1.114 123.935 122.820 0.002 0.000 2.876 59 A HA 0.482 4.802 4.320 -0.000 0.000 0.309 59 A C -0.165 177.388 177.584 -0.052 0.000 1.168 59 A CA -0.541 51.489 52.037 -0.012 0.000 0.762 59 A CB 0.213 19.216 19.000 0.005 0.000 1.262 59 A HN 0.256 nan 8.150 nan 0.000 0.435 60 S N 0.490 116.126 115.700 -0.105 0.000 2.798 60 S HA 0.540 5.010 4.470 -0.000 0.000 0.312 60 S C 0.760 175.312 174.600 -0.080 0.000 1.122 60 S CA 0.074 58.161 58.200 -0.188 0.000 0.949 60 S CB 0.438 63.340 63.200 -0.496 0.000 1.235 60 S HN 0.948 nan 8.310 nan 0.000 0.552 61 H N -0.870 118.234 119.070 0.055 0.000 2.556 61 H HA 0.359 4.915 4.556 -0.000 0.000 0.268 61 H C -0.289 175.202 175.328 0.273 0.000 0.996 61 H CA -0.227 55.907 56.048 0.143 0.000 1.157 61 H CB -0.547 29.310 29.762 0.157 0.000 1.355 61 H HN 0.290 nan 8.280 nan 0.000 0.597 62 F N 3.790 123.663 119.950 -0.128 0.000 2.538 62 F HA 0.181 4.708 4.527 -0.000 0.000 0.371 62 F C -1.591 174.179 175.800 -0.050 0.000 1.087 62 F CA -3.416 54.544 58.000 -0.066 0.000 1.250 62 F CB 0.271 39.193 39.000 -0.131 0.000 1.110 62 F HN 0.209 nan 8.300 nan 0.000 0.570 63 P HA 0.507 nan 4.420 nan 0.000 0.279 63 P C 0.124 177.313 177.300 -0.184 0.000 1.276 63 P CA -0.017 63.065 63.100 -0.030 0.000 0.801 63 P CB 1.447 33.119 31.700 -0.047 0.000 1.127 64 G N 0.685 109.284 108.800 -0.335 0.000 2.681 64 G HA2 -0.158 3.801 3.960 -0.000 0.000 0.220 64 G HA3 -0.158 3.801 3.960 -0.000 0.000 0.220 64 G C -1.114 173.567 174.900 -0.366 0.000 1.353 64 G CA -0.541 44.097 45.100 -0.769 0.000 0.872 64 G HN 0.611 nan 8.290 nan 0.000 0.557 65 E N -0.285 119.707 120.200 -0.347 0.000 2.070 65 E HA 0.443 4.793 4.350 -0.000 0.000 0.261 65 E C -0.077 176.495 176.600 -0.047 0.000 0.926 65 E CA -0.662 55.693 56.400 -0.076 0.000 0.760 65 E CB 1.751 31.483 29.700 0.054 0.000 1.133 65 E HN 0.457 nan 8.360 nan 0.000 0.420 66 V N 3.022 122.924 119.914 -0.020 0.000 2.415 66 V HA 0.126 4.246 4.120 -0.000 0.000 0.267 66 V C 0.675 176.786 176.094 0.028 0.000 1.042 66 V CA -0.307 61.999 62.300 0.010 0.000 1.000 66 V CB 0.413 32.264 31.823 0.047 0.000 1.015 66 V HN 0.706 nan 8.190 nan 0.000 0.478 67 A N 4.594 127.433 122.820 0.030 0.000 2.498 67 A HA 0.105 4.425 4.320 -0.000 0.000 0.239 67 A C 1.448 179.068 177.584 0.059 0.000 1.068 67 A CA -0.080 51.981 52.037 0.040 0.000 0.766 67 A CB 0.049 19.074 19.000 0.041 0.000 1.003 67 A HN 1.029 nan 8.150 nan 0.000 0.497 68 C N 0.872 120.210 119.300 0.063 0.000 2.413 68 C HA -0.133 4.327 4.460 -0.000 0.000 0.277 68 C C 2.788 177.867 174.990 0.149 0.000 1.265 68 C CA 1.601 60.690 59.018 0.118 0.000 1.752 68 C CB -1.660 26.110 27.740 0.050 0.000 1.998 68 C HN 0.977 nan 8.230 nan 0.000 0.489 69 T N -0.855 113.750 114.554 0.085 0.000 3.163 69 T HA -0.066 4.284 4.350 -0.000 0.000 0.260 69 T C 1.477 176.252 174.700 0.125 0.000 1.156 69 T CA 1.327 63.482 62.100 0.093 0.000 1.072 69 T CB -0.451 68.429 68.868 0.019 0.000 0.937 69 T HN 0.507 nan 8.240 nan 0.000 0.528 70 S N 0.478 116.243 115.700 0.108 0.000 2.400 70 S HA -0.083 4.387 4.470 -0.000 0.000 0.232 70 S C 1.923 176.612 174.600 0.148 0.000 1.025 70 S CA 1.245 59.515 58.200 0.117 0.000 0.993 70 S CB -0.419 62.811 63.200 0.051 0.000 0.808 70 S HN 0.788 nan 8.310 nan 0.000 0.478 71 C N -0.995 118.348 119.300 0.073 0.000 3.095 71 C HA 0.273 4.732 4.460 -0.000 0.000 0.472 71 C C 0.441 175.366 174.990 -0.109 0.000 1.348 71 C CA -0.602 58.400 59.018 -0.027 0.000 2.206 71 C CB -0.356 27.262 27.740 -0.203 0.000 3.088 71 C HN 0.507 nan 8.230 nan 0.000 0.599 72 H N 1.838 120.950 119.070 0.071 0.000 2.685 72 H HA 0.395 4.951 4.556 -0.000 0.000 0.286 72 H C -0.162 175.196 175.328 0.049 0.000 1.102 72 H CA 0.231 56.315 56.048 0.060 0.000 1.254 72 H CB 0.926 30.704 29.762 0.026 0.000 1.397 72 H HN 0.264 nan 8.280 nan 0.000 0.473 73 S N 1.084 116.883 115.700 0.166 0.000 2.632 73 S HA 0.330 4.800 4.470 -0.000 0.000 0.267 73 S C 1.322 175.954 174.600 0.052 0.000 1.276 73 S CA -0.162 58.110 58.200 0.119 0.000 0.998 73 S CB 1.758 65.041 63.200 0.139 0.000 0.953 73 S HN 0.786 nan 8.310 nan 0.000 0.547 74 A N 0.974 123.778 122.820 -0.027 0.000 1.887 74 A HA 0.081 4.401 4.320 -0.000 0.000 0.210 74 A C 1.288 178.695 177.584 -0.295 0.000 1.221 74 A CA 0.515 52.412 52.037 -0.233 0.000 0.635 74 A CB -0.450 18.307 19.000 -0.405 0.000 0.881 74 A HN 0.862 nan 8.150 nan 0.000 0.456 75 H N 0.181 119.282 119.070 0.052 0.000 2.594 75 H HA 0.215 4.771 4.556 -0.000 0.000 0.279 75 H C -0.466 174.889 175.328 0.044 0.000 1.042 75 H CA 0.718 56.793 56.048 0.046 0.000 1.177 75 H CB 0.255 30.058 29.762 0.067 0.000 1.524 75 H HN 0.803 nan 8.280 nan 0.000 0.537 76 E N 0.150 120.424 120.200 0.124 0.000 2.412 76 E HA 0.355 4.705 4.350 -0.000 0.000 0.279 76 E C -0.987 175.672 176.600 0.099 0.000 0.984 76 E CA -1.021 55.441 56.400 0.104 0.000 0.788 76 E CB 2.077 31.841 29.700 0.107 0.000 1.277 76 E HN -0.127 nan 8.360 nan 0.000 0.455 77 K N 0.812 121.278 120.400 0.110 0.000 2.380 77 K HA 0.259 4.578 4.320 -0.000 0.000 0.267 77 K C -0.179 176.488 176.600 0.111 0.000 0.990 77 K CA 0.381 56.753 56.287 0.141 0.000 0.946 77 K CB 0.745 33.329 32.500 0.139 0.000 0.937 77 K HN 0.682 nan 8.250 nan 0.000 0.491 78 S N 1.209 116.981 115.700 0.119 0.000 2.651 78 S HA 0.601 5.071 4.470 -0.000 0.000 0.279 78 S C -0.694 173.958 174.600 0.087 0.000 1.148 78 S CA -1.159 57.098 58.200 0.094 0.000 0.837 78 S CB 1.267 64.532 63.200 0.109 0.000 1.138 78 S HN 0.442 nan 8.310 nan 0.000 0.478 79 M N 1.551 121.214 119.600 0.104 0.000 2.508 79 M HA 0.481 4.961 4.480 -0.000 0.000 0.327 79 M C -1.110 175.331 176.300 0.235 0.000 1.160 79 M CA -0.944 54.463 55.300 0.179 0.000 0.980 79 M CB 2.064 34.767 32.600 0.171 0.000 1.693 79 M HN 0.497 nan 8.290 nan 0.000 0.452 80 V N 2.767 122.813 119.914 0.220 0.000 2.427 80 V HA -0.014 4.106 4.120 -0.000 0.000 0.268 80 V C 0.530 176.744 176.094 0.199 0.000 1.046 80 V CA -0.002 62.365 62.300 0.113 0.000 0.970 80 V CB 0.276 32.109 31.823 0.017 0.000 1.001 80 V HN 0.810 nan 8.190 nan 0.000 0.476 81 Y N 3.706 124.041 120.300 0.059 0.000 2.207 81 Y HA -0.253 4.297 4.550 -0.000 0.000 0.287 81 Y C 2.342 178.090 175.900 -0.254 0.000 1.156 81 Y CA 2.274 60.355 58.100 -0.031 0.000 1.182 81 Y CB 0.050 38.574 38.460 0.106 0.000 0.979 81 Y HN 0.694 nan 8.280 nan 0.000 0.521 82 C N 0.124 119.441 119.300 0.028 0.000 2.410 82 C HA -0.183 4.277 4.460 -0.000 0.000 0.281 82 C C 2.028 176.977 174.990 -0.069 0.000 1.318 82 C CA 0.946 60.002 59.018 0.062 0.000 1.776 82 C CB -1.103 26.808 27.740 0.285 0.000 1.942 82 C HN 0.523 nan 8.230 nan 0.000 0.508 83 D N 1.319 121.630 120.400 -0.148 0.000 2.350 83 D HA -0.071 4.568 4.640 -0.000 0.000 0.216 83 D C 2.211 178.170 176.300 -0.567 0.000 0.968 83 D CA 1.433 55.318 54.000 -0.193 0.000 0.894 83 D CB -0.281 40.542 40.800 0.040 0.000 0.909 83 D HN 0.681 nan 8.370 nan 0.000 0.520 84 S N -1.480 113.542 115.700 -1.131 0.000 2.481 84 S HA -0.087 4.382 4.470 -0.000 0.000 0.231 84 S C 1.789 176.036 174.600 -0.588 0.000 0.996 84 S CA 0.452 57.898 58.200 -1.256 0.000 0.942 84 S CB -0.141 62.073 63.200 -1.644 0.000 0.768 84 S HN 0.295 nan 8.310 nan 0.000 0.520 85 C N -0.118 118.887 119.300 -0.491 0.000 3.637 85 C HA 0.478 4.937 4.460 -0.000 0.000 0.439 85 C C 0.474 175.139 174.990 -0.542 0.000 1.443 85 C CA -0.518 58.216 59.018 -0.473 0.000 2.037 85 C CB -0.412 27.009 27.740 -0.530 0.000 2.957 85 C HN 0.579 nan 8.230 nan 0.000 0.669 86 H N -0.162 118.724 119.070 -0.307 0.000 2.855 86 H HA 0.442 4.998 4.556 -0.000 0.000 0.363 86 H C -0.695 174.348 175.328 -0.476 0.000 1.185 86 H CA -0.197 55.542 56.048 -0.516 0.000 1.174 86 H CB 1.569 30.789 29.762 -0.904 0.000 1.857 86 H HN -0.088 nan 8.280 nan 0.000 0.565 87 S N 1.682 117.114 115.700 -0.447 0.000 2.139 87 S HA 0.241 4.710 4.470 -0.000 0.000 0.183 87 S C -0.515 173.803 174.600 -0.469 0.000 1.473 87 S CA -0.537 57.461 58.200 -0.336 0.000 1.263 87 S CB -0.569 62.504 63.200 -0.212 0.000 1.170 87 S HN 0.224 nan 8.310 nan 0.000 0.430 88 F N 1.974 121.630 119.950 -0.490 0.000 2.444 88 F HA 0.228 4.755 4.527 -0.000 0.000 0.331 88 F C 1.094 176.389 175.800 -0.842 0.000 1.167 88 F CA -1.214 56.185 58.000 -1.001 0.000 1.262 88 F CB 0.318 38.254 39.000 -1.773 0.000 1.196 88 F HN 0.168 nan 8.300 nan 0.000 0.583 89 D N 1.993 122.073 120.400 -0.533 0.000 2.402 89 D HA 0.173 4.813 4.640 -0.000 0.000 0.235 89 D C -1.134 175.075 176.300 -0.151 0.000 1.226 89 D CA 0.176 54.040 54.000 -0.227 0.000 0.918 89 D CB -0.564 40.180 40.800 -0.094 0.000 1.043 89 D HN 0.076 nan 8.370 nan 0.000 0.506 90 F N 1.680 121.682 119.950 0.086 0.000 2.523 90 F HA 0.397 4.924 4.527 -0.000 0.000 0.329 90 F C 1.089 176.939 175.800 0.083 0.000 1.061 90 F CA -1.199 56.870 58.000 0.115 0.000 0.967 90 F CB 1.412 40.472 39.000 0.100 0.000 1.218 90 F HN 0.282 nan 8.300 nan 0.000 0.480 91 N N 2.668 121.557 118.700 0.315 0.000 2.679 91 N HA 0.162 4.901 4.740 -0.000 0.000 0.302 91 N C -1.023 174.542 175.510 0.090 0.000 1.941 91 N CA -0.117 53.028 53.050 0.157 0.000 0.875 91 N CB 0.367 38.928 38.487 0.123 0.000 1.278 91 N HN 0.601 nan 8.380 nan 0.000 0.490 92 M N 2.054 121.695 119.600 0.068 0.000 2.219 92 M HA 0.286 4.766 4.480 -0.000 0.000 0.353 92 M C -2.234 174.045 176.300 -0.034 0.000 1.304 92 M CA -0.990 54.319 55.300 0.015 0.000 1.115 92 M CB 0.604 33.171 32.600 -0.055 0.000 1.664 92 M HN 0.119 nan 8.290 nan 0.000 0.459 93 P HA -0.041 nan 4.420 nan 0.000 0.264 93 P C -1.205 175.935 177.300 -0.267 0.000 1.183 93 P CA 0.501 63.362 63.100 -0.398 0.000 0.763 93 P CB 0.000 31.453 31.700 -0.412 0.000 0.807 94 Y N -1.263 119.066 120.300 0.049 0.000 3.929 94 Y HA -0.228 4.322 4.550 -0.000 0.000 0.225 94 Y C 0.925 176.861 175.900 0.060 0.000 1.200 94 Y CA 0.273 58.409 58.100 0.061 0.000 1.791 94 Y CB -2.617 35.887 38.460 0.072 0.000 1.561 94 Y HN 0.435 nan 8.280 nan 0.000 0.657 95 A N 1.011 123.880 122.820 0.082 0.000 2.332 95 A HA 0.653 4.973 4.320 -0.000 0.000 0.258 95 A C 0.655 178.291 177.584 0.087 0.000 1.087 95 A CA 0.154 52.240 52.037 0.081 0.000 0.802 95 A CB 0.691 19.727 19.000 0.060 0.000 1.042 95 A HN 0.427 nan 8.150 nan 0.000 0.489 96 K N 0.777 121.228 120.400 0.084 0.000 2.444 96 K HA 0.551 4.871 4.320 -0.000 0.000 0.252 96 K C -0.627 176.020 176.600 0.077 0.000 0.993 96 K CA -0.980 55.348 56.287 0.068 0.000 0.847 96 K CB 1.377 33.907 32.500 0.049 0.000 1.340 96 K HN 0.528 nan 8.250 nan 0.000 0.446 97 K N 1.555 121.994 120.400 0.065 0.000 2.436 97 K HA -0.054 4.266 4.320 -0.000 0.000 0.275 97 K C -0.569 176.086 176.600 0.091 0.000 0.999 97 K CA -0.555 55.785 56.287 0.089 0.000 0.980 97 K CB 0.488 33.023 32.500 0.060 0.000 0.919 97 K HN 0.640 nan 8.250 nan 0.000 0.484 98 W N 6.706 128.007 121.300 0.002 0.000 2.322 98 W HA 0.164 4.824 4.660 -0.000 0.000 0.328 98 W C -1.523 174.983 176.519 -0.020 0.000 1.395 98 W CA -0.253 57.082 57.345 -0.016 0.000 1.267 98 W CB 0.288 29.726 29.460 -0.037 0.000 1.259 98 W HN 0.399 nan 8.180 nan 0.000 0.560 99 L N 7.307 128.001 121.223 -0.880 0.000 2.580 99 L HA 0.335 4.675 4.340 -0.000 0.000 0.266 99 L C -1.226 175.164 176.870 -0.799 0.000 0.955 99 L CA -0.639 53.837 54.840 -0.607 0.000 0.886 99 L CB 1.475 43.368 42.059 -0.276 0.000 1.263 99 L HN 0.485 nan 8.230 nan 0.000 0.406 100 R N 3.286 123.452 120.500 -0.557 0.000 2.255 100 R HA 0.602 4.942 4.340 -0.000 0.000 0.326 100 R C -1.116 175.097 176.300 -0.146 0.000 0.986 100 R CA -0.057 55.850 56.100 -0.321 0.000 0.847 100 R CB 0.683 30.970 30.300 -0.022 0.000 1.111 100 R HN 0.636 nan 8.270 nan 0.000 0.452 101 D N 3.448 123.767 120.400 -0.136 0.000 2.586 101 D HA 0.046 4.685 4.640 -0.000 0.000 0.254 101 D C -1.255 175.007 176.300 -0.062 0.000 1.248 101 D CA -0.231 53.723 54.000 -0.077 0.000 0.843 101 D CB 0.733 41.486 40.800 -0.077 0.000 1.332 101 D HN 0.711 nan 8.370 nan 0.000 0.523 102 E N 2.478 122.654 120.200 -0.040 0.000 2.229 102 E HA 0.369 4.719 4.350 -0.000 0.000 0.283 102 E C -2.172 174.416 176.600 -0.020 0.000 1.030 102 E CA -1.621 54.761 56.400 -0.030 0.000 0.836 102 E CB 1.069 30.764 29.700 -0.009 0.000 1.068 102 E HN 0.120 nan 8.360 nan 0.000 0.401 103 P HA -0.005 nan 4.420 nan 0.000 0.266 103 P C -0.593 176.702 177.300 -0.007 0.000 1.195 103 P CA -0.131 62.962 63.100 -0.012 0.000 0.768 103 P CB 0.602 32.297 31.700 -0.008 0.000 0.838 104 T N -0.374 114.176 114.554 -0.007 0.000 2.813 104 T HA 0.144 4.494 4.350 -0.000 0.000 0.297 104 T C 1.514 176.212 174.700 -0.003 0.000 1.036 104 T CA -0.649 61.446 62.100 -0.008 0.000 1.044 104 T CB 0.283 69.141 68.868 -0.015 0.000 0.993 104 T HN 0.094 nan 8.240 nan 0.000 0.535 105 I N 1.159 121.726 120.570 -0.005 0.000 2.264 105 I HA -0.170 4.000 4.170 -0.000 0.000 0.248 105 I C 2.923 179.038 176.117 -0.003 0.000 1.111 105 I CA 1.789 63.090 61.300 0.001 0.000 1.382 105 I CB -2.166 35.830 38.000 -0.007 0.000 1.060 105 I HN 0.904 nan 8.210 nan 0.000 0.418 106 A N 0.566 123.378 122.820 -0.013 0.000 1.902 106 A HA -0.207 4.113 4.320 -0.000 0.000 0.217 106 A C 2.244 179.822 177.584 -0.010 0.000 1.181 106 A CA 1.542 53.569 52.037 -0.016 0.000 0.623 106 A CB -0.619 18.366 19.000 -0.024 0.000 0.818 106 A HN 0.486 nan 8.150 nan 0.000 0.443 107 E N -0.153 120.043 120.200 -0.006 0.000 2.153 107 E HA -0.112 4.238 4.350 -0.000 0.000 0.194 107 E C 1.653 178.260 176.600 0.011 0.000 0.988 107 E CA 0.907 57.307 56.400 -0.001 0.000 0.811 107 E CB -0.274 29.425 29.700 -0.002 0.000 0.746 107 E HN 0.620 nan 8.360 nan 0.000 0.466 108 L N 0.465 121.703 121.223 0.025 0.000 2.551 108 L HA -0.034 4.306 4.340 -0.000 0.000 0.228 108 L C 2.359 179.246 176.870 0.029 0.000 1.153 108 L CA 0.112 54.987 54.840 0.058 0.000 0.851 108 L CB -0.354 41.768 42.059 0.104 0.000 0.959 108 L HN 0.138 nan 8.230 nan 0.000 0.451 109 A N 0.352 123.172 122.820 -0.001 0.000 2.032 109 A HA -0.245 4.075 4.320 -0.000 0.000 0.221 109 A C 2.230 179.798 177.584 -0.028 0.000 1.165 109 A CA 1.590 53.611 52.037 -0.025 0.000 0.645 109 A CB -0.289 18.696 19.000 -0.026 0.000 0.807 109 A HN 0.256 nan 8.150 nan 0.000 0.453 110 K N 0.125 120.519 120.400 -0.011 0.000 2.442 110 K HA -0.055 4.265 4.320 -0.000 0.000 0.198 110 K C -0.074 176.521 176.600 -0.009 0.000 1.042 110 K CA 0.896 57.177 56.287 -0.009 0.000 0.958 110 K CB 0.067 32.568 32.500 0.001 0.000 0.766 110 K HN 0.345 nan 8.250 nan 0.000 0.474 111 D N 0.121 120.514 120.400 -0.012 0.000 2.676 111 D HA -0.017 4.623 4.640 -0.000 0.000 0.239 111 D C 0.942 177.165 176.300 -0.128 0.000 1.213 111 D CA 0.169 54.147 54.000 -0.036 0.000 0.835 111 D CB 0.510 41.328 40.800 0.030 0.000 1.009 111 D HN -0.031 nan 8.370 nan 0.000 0.479 112 K N 0.581 120.926 120.400 -0.092 0.000 2.020 112 K HA -0.126 4.194 4.320 -0.000 0.000 0.212 112 K C 0.786 177.324 176.600 -0.104 0.000 1.050 112 K CA 0.769 56.995 56.287 -0.101 0.000 0.929 112 K CB -0.127 32.333 32.500 -0.066 0.000 0.714 112 K HN 0.052 nan 8.250 nan 0.000 0.443 113 S N -0.048 115.611 115.700 -0.068 0.000 2.505 113 S HA 0.118 4.588 4.470 -0.000 0.000 0.276 113 S C 0.246 174.810 174.600 -0.060 0.000 1.274 113 S CA 0.543 58.711 58.200 -0.053 0.000 1.053 113 S CB 0.304 63.489 63.200 -0.024 0.000 0.919 113 S HN 0.455 nan 8.310 nan 0.000 0.490 114 E N 2.559 122.720 120.200 -0.066 0.000 3.719 114 E HA -0.198 4.152 4.350 -0.000 0.000 0.136 114 E C 1.413 177.887 176.600 -0.210 0.000 0.775 114 E CA 0.662 57.024 56.400 -0.063 0.000 2.927 114 E CB -1.102 28.607 29.700 0.015 0.000 1.333 114 E HN 0.759 nan 8.360 nan 0.000 0.715 115 R N 0.977 121.244 120.500 -0.389 0.000 2.073 115 R HA 0.017 4.357 4.340 -0.000 0.000 0.229 115 R C 2.330 178.506 176.300 -0.207 0.000 1.120 115 R CA 1.669 57.500 56.100 -0.448 0.000 0.967 115 R CB -0.148 29.851 30.300 -0.501 0.000 0.862 115 R HN 0.290 nan 8.270 nan 0.000 0.436 116 Q N 0.169 119.879 119.800 -0.149 0.000 2.124 116 Q HA -0.089 4.251 4.340 -0.000 0.000 0.202 116 Q C 2.186 178.157 176.000 -0.049 0.000 0.977 116 Q CA 1.487 57.233 55.803 -0.096 0.000 0.850 116 Q CB -0.096 28.596 28.738 -0.077 0.000 0.901 116 Q HN 0.350 nan 8.270 nan 0.000 0.429 117 A N 1.060 123.865 122.820 -0.026 0.000 1.930 117 A HA -0.095 4.224 4.320 -0.000 0.000 0.217 117 A C 2.273 179.902 177.584 0.074 0.000 1.175 117 A CA 1.513 53.565 52.037 0.026 0.000 0.627 117 A CB -0.656 18.366 19.000 0.037 0.000 0.815 117 A HN 0.390 nan 8.150 nan 0.000 0.443 118 A N -0.233 122.634 122.820 0.079 0.000 1.873 118 A HA 0.010 4.330 4.320 -0.000 0.000 0.215 118 A C 2.094 179.817 177.584 0.232 0.000 1.186 118 A CA 1.401 53.557 52.037 0.198 0.000 0.616 118 A CB -0.568 18.565 19.000 0.223 0.000 0.823 118 A HN 0.455 nan 8.150 nan 0.000 0.442 119 L N -0.892 120.339 121.223 0.014 0.000 2.291 119 L HA -0.097 4.242 4.340 -0.000 0.000 0.214 119 L C 2.782 179.606 176.870 -0.078 0.000 1.120 119 L CA 0.727 55.434 54.840 -0.222 0.000 0.799 119 L CB -0.338 41.533 42.059 -0.313 0.000 0.925 119 L HN 0.446 nan 8.230 nan 0.000 0.446 120 A N -1.108 121.731 122.820 0.032 0.000 2.123 120 A HA 0.058 4.378 4.320 -0.000 0.000 0.214 120 A C 1.405 179.082 177.584 0.154 0.000 1.152 120 A CA 0.244 52.320 52.037 0.064 0.000 0.728 120 A CB -0.087 18.934 19.000 0.036 0.000 0.814 120 A HN 0.299 nan 8.150 nan 0.000 0.464 121 S N -0.351 115.493 115.700 0.241 0.000 2.645 121 S HA 0.561 5.031 4.470 -0.000 0.000 0.266 121 S C 0.645 175.471 174.600 0.376 0.000 1.258 121 S CA -0.193 58.163 58.200 0.260 0.000 0.990 121 S CB 1.003 64.351 63.200 0.246 0.000 0.967 121 S HN 0.702 nan 8.310 nan 0.000 0.556 122 A N 2.674 125.614 122.820 0.199 0.000 2.466 122 A HA 0.380 4.700 4.320 -0.000 0.000 0.238 122 A C -2.246 175.259 177.584 -0.131 0.000 1.074 122 A CA -0.976 51.114 52.037 0.089 0.000 0.774 122 A CB -0.733 18.263 19.000 -0.007 0.000 1.015 122 A HN 0.528 nan 8.150 nan 0.000 0.498 123 P HA 0.006 nan 4.420 nan 0.000 0.271 123 P C 0.491 177.508 177.300 -0.472 0.000 1.216 123 P CA 0.152 62.532 63.100 -1.200 0.000 0.771 123 P CB 0.418 31.224 31.700 -1.489 0.000 0.864 124 H N 2.211 121.066 119.070 -0.359 0.000 2.421 124 H HA -0.065 4.491 4.556 -0.000 0.000 0.298 124 H C -0.468 174.743 175.328 -0.195 0.000 1.087 124 H CA 1.439 57.350 56.048 -0.229 0.000 1.330 124 H CB 0.398 29.981 29.762 -0.300 0.000 1.388 124 H HN 0.495 nan 8.280 nan 0.000 0.526 125 D N -1.075 119.275 120.400 -0.084 0.000 2.661 125 D HA 0.266 4.906 4.640 -0.000 0.000 0.228 125 D C -1.077 175.158 176.300 -0.109 0.000 1.183 125 D CA -0.473 53.487 54.000 -0.066 0.000 0.844 125 D CB 2.392 43.232 40.800 0.066 0.000 1.555 125 D HN -0.120 nan 8.370 nan 0.000 0.453 126 T N 0.943 115.449 114.554 -0.079 0.000 2.864 126 T HA 0.594 4.944 4.350 -0.000 0.000 0.299 126 T C -0.478 174.217 174.700 -0.009 0.000 1.011 126 T CA -0.591 61.475 62.100 -0.055 0.000 0.975 126 T CB 0.767 69.595 68.868 -0.067 0.000 0.962 126 T HN 0.324 nan 8.240 nan 0.000 0.448 127 V N 0.552 120.478 119.914 0.021 0.000 3.105 127 V HA 0.673 4.793 4.120 -0.000 0.000 0.311 127 V C -0.044 176.082 176.094 0.054 0.000 1.287 127 V CA -0.798 61.523 62.300 0.035 0.000 1.066 127 V CB 1.815 33.664 31.823 0.043 0.000 1.105 127 V HN 0.467 nan 8.190 nan 0.000 0.462 128 D N 0.032 120.465 120.400 0.056 0.000 2.149 128 D HA 0.190 4.830 4.640 -0.000 0.000 0.206 128 D C 0.369 176.724 176.300 0.091 0.000 0.967 128 D CA 1.514 55.557 54.000 0.071 0.000 0.848 128 D CB 0.574 41.409 40.800 0.058 0.000 0.998 128 D HN 0.391 nan 8.370 nan 0.000 0.474 129 V N 1.175 121.133 119.914 0.073 0.000 2.733 129 V HA 0.297 4.417 4.120 -0.000 0.000 0.306 129 V C -0.384 175.748 176.094 0.063 0.000 1.084 129 V CA -0.865 61.477 62.300 0.071 0.000 0.905 129 V CB 2.918 34.765 31.823 0.040 0.000 1.010 129 V HN -0.247 nan 8.190 nan 0.000 0.424 130 V N 4.833 124.789 119.914 0.070 0.000 2.398 130 V HA 0.537 4.657 4.120 -0.000 0.000 0.286 130 V C -0.239 175.882 176.094 0.045 0.000 1.026 130 V CA -0.594 61.742 62.300 0.059 0.000 0.868 130 V CB 1.912 33.777 31.823 0.071 0.000 0.982 130 V HN 0.619 nan 8.190 nan 0.000 0.443 131 V N 5.513 125.441 119.914 0.023 0.000 2.398 131 V HA 0.444 4.564 4.120 -0.000 0.000 0.286 131 V C -0.177 175.911 176.094 -0.009 0.000 1.026 131 V CA -0.604 61.701 62.300 0.009 0.000 0.868 131 V CB 1.887 33.706 31.823 -0.008 0.000 0.982 131 V HN 0.606 nan 8.190 nan 0.000 0.443 132 V N 3.929 123.843 119.914 0.000 0.000 2.328 132 V HA 0.906 5.026 4.120 -0.000 0.000 0.278 132 V C 0.511 176.596 176.094 -0.016 0.000 1.021 132 V CA 0.198 62.493 62.300 -0.008 0.000 0.838 132 V CB 0.671 32.498 31.823 0.007 0.000 0.999 132 V HN 1.295 nan 8.190 nan 0.000 0.447 133 G N 3.602 112.377 108.800 -0.042 0.000 3.014 133 G HA2 0.026 3.986 3.960 -0.000 0.000 0.683 133 G HA3 0.026 3.986 3.960 -0.000 0.000 0.683 133 G C -0.113 174.722 174.900 -0.108 0.000 1.271 133 G CA -0.269 44.805 45.100 -0.044 0.000 0.843 133 G HN 1.247 nan 8.290 nan 0.000 0.612 134 S N 1.218 116.843 115.700 -0.124 0.000 2.537 134 S HA 0.609 5.079 4.470 -0.000 0.000 0.246 134 S C 1.271 175.897 174.600 0.042 0.000 1.036 134 S CA 0.679 58.718 58.200 -0.268 0.000 1.041 134 S CB 0.528 63.554 63.200 -0.289 0.000 0.799 134 S HN 1.824 nan 8.310 nan 0.000 0.456 135 G N 0.970 109.820 108.800 0.083 0.000 2.494 135 G HA2 0.479 4.439 3.960 -0.000 0.000 0.270 135 G HA3 0.479 4.439 3.960 -0.000 0.000 0.270 135 G C 1.022 176.082 174.900 0.267 0.000 1.423 135 G CA -0.335 44.867 45.100 0.169 0.000 1.055 135 G HN 0.413 nan 8.290 nan 0.000 0.536 136 G N -0.368 108.561 108.800 0.215 0.000 2.418 136 G HA2 0.041 4.001 3.960 -0.000 0.000 0.217 136 G HA3 0.041 4.001 3.960 -0.000 0.000 0.217 136 G C 1.962 177.005 174.900 0.239 0.000 1.158 136 G CA 1.832 47.070 45.100 0.230 0.000 0.771 136 G HN 0.895 nan 8.290 nan 0.000 0.545 137 A N 0.787 123.720 122.820 0.189 0.000 1.902 137 A HA 0.182 4.502 4.320 -0.000 0.000 0.217 137 A C 2.686 180.365 177.584 0.158 0.000 1.181 137 A CA 2.098 54.239 52.037 0.175 0.000 0.623 137 A CB -0.997 18.089 19.000 0.144 0.000 0.818 137 A HN 0.503 nan 8.150 nan 0.000 0.443 138 G N -1.421 107.449 108.800 0.116 0.000 2.404 138 G HA2 -0.097 3.863 3.960 -0.000 0.000 0.215 138 G HA3 -0.097 3.863 3.960 -0.000 0.000 0.215 138 G C 1.362 176.293 174.900 0.052 0.000 1.174 138 G CA 0.958 46.080 45.100 0.036 0.000 0.780 138 G HN 0.375 nan 8.290 nan 0.000 0.537 139 F N 1.941 121.951 119.950 0.101 0.000 2.134 139 F HA -0.074 4.453 4.527 -0.000 0.000 0.299 139 F C 3.146 179.035 175.800 0.149 0.000 1.097 139 F CA 1.581 59.643 58.000 0.105 0.000 1.264 139 F CB -0.354 38.702 39.000 0.092 0.000 1.001 139 F HN 0.083 nan 8.300 nan 0.000 0.479 140 S N -0.132 115.804 115.700 0.393 0.000 2.368 140 S HA -0.206 4.264 4.470 -0.000 0.000 0.225 140 S C 2.357 177.161 174.600 0.340 0.000 1.030 140 S CA 1.069 59.548 58.200 0.465 0.000 0.999 140 S CB -0.787 62.678 63.200 0.441 0.000 0.844 140 S HN 0.384 nan 8.310 nan 0.000 0.459 141 A N 1.625 124.563 122.820 0.197 0.000 1.902 141 A HA 0.108 4.428 4.320 -0.000 0.000 0.217 141 A C 2.373 180.020 177.584 0.106 0.000 1.181 141 A CA 1.728 53.828 52.037 0.105 0.000 0.623 141 A CB -1.131 17.904 19.000 0.060 0.000 0.818 141 A HN 0.517 nan 8.150 nan 0.000 0.443 142 A N -0.134 122.756 122.820 0.117 0.000 1.902 142 A HA -0.075 4.245 4.320 -0.000 0.000 0.217 142 A C 2.132 179.798 177.584 0.136 0.000 1.181 142 A CA 1.547 53.641 52.037 0.096 0.000 0.623 142 A CB -0.598 18.441 19.000 0.065 0.000 0.818 142 A HN 0.499 nan 8.150 nan 0.000 0.443 143 I N 0.508 121.203 120.570 0.208 0.000 2.202 143 I HA -0.253 3.916 4.170 -0.000 0.000 0.242 143 I C 2.963 179.228 176.117 0.247 0.000 1.091 143 I CA 1.676 63.106 61.300 0.216 0.000 1.368 143 I CB -0.287 37.847 38.000 0.222 0.000 1.058 143 I HN 0.518 nan 8.210 nan 0.000 0.410 144 S N 1.256 117.135 115.700 0.298 0.000 2.383 144 S HA -0.118 4.352 4.470 -0.000 0.000 0.227 144 S C 2.226 176.880 174.600 0.090 0.000 1.026 144 S CA 0.834 59.153 58.200 0.199 0.000 0.981 144 S CB -0.565 62.655 63.200 0.033 0.000 0.818 144 S HN 0.386 nan 8.310 nan 0.000 0.472 145 A N 1.746 124.604 122.820 0.063 0.000 1.902 145 A HA -0.012 4.308 4.320 -0.000 0.000 0.217 145 A C 2.443 180.054 177.584 0.047 0.000 1.181 145 A CA 2.062 54.117 52.037 0.029 0.000 0.623 145 A CB -1.700 17.307 19.000 0.012 0.000 0.818 145 A HN 0.566 nan 8.150 nan 0.000 0.443 146 T N 0.399 114.992 114.554 0.065 0.000 2.720 146 T HA -0.131 4.219 4.350 -0.000 0.000 0.268 146 T C 1.399 176.135 174.700 0.059 0.000 1.037 146 T CA 1.638 63.773 62.100 0.058 0.000 1.144 146 T CB -0.439 68.467 68.868 0.063 0.000 0.864 146 T HN 0.461 nan 8.240 nan 0.000 0.444 147 D N 1.048 121.497 120.400 0.082 0.000 2.264 147 D HA 0.010 4.650 4.640 -0.000 0.000 0.208 147 D C 1.861 178.196 176.300 0.057 0.000 0.966 147 D CA 0.646 54.694 54.000 0.080 0.000 0.864 147 D CB -0.218 40.658 40.800 0.127 0.000 0.933 147 D HN 0.275 nan 8.370 nan 0.000 0.499 148 S N -0.990 114.738 115.700 0.047 0.000 2.631 148 S HA 0.314 4.784 4.470 -0.000 0.000 0.217 148 S C 1.539 176.154 174.600 0.025 0.000 0.958 148 S CA 0.431 58.648 58.200 0.028 0.000 0.920 148 S CB 0.726 63.935 63.200 0.015 0.000 0.776 148 S HN 0.424 nan 8.310 nan 0.000 0.517 149 G N 1.020 109.837 108.800 0.029 0.000 2.176 149 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.232 149 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.232 149 G C 0.118 175.033 174.900 0.025 0.000 0.986 149 G CA -0.209 44.906 45.100 0.024 0.000 0.643 149 G HN 0.804 nan 8.290 nan 0.000 0.522 150 A N -0.198 122.639 122.820 0.029 0.000 2.316 150 A HA 0.754 5.074 4.320 -0.000 0.000 0.284 150 A C 0.337 177.941 177.584 0.032 0.000 1.115 150 A CA 0.288 52.344 52.037 0.031 0.000 0.812 150 A CB 0.838 19.857 19.000 0.031 0.000 1.064 150 A HN 0.750 nan 8.150 nan 0.000 0.489 151 K N 1.845 122.264 120.400 0.032 0.000 2.276 151 K HA 0.499 4.819 4.320 -0.000 0.000 0.285 151 K C -1.088 175.534 176.600 0.038 0.000 1.062 151 K CA 0.086 56.392 56.287 0.032 0.000 0.918 151 K CB 0.616 33.132 32.500 0.026 0.000 1.055 151 K HN 0.355 nan 8.250 nan 0.000 0.477 152 V N 6.029 125.965 119.914 0.038 0.000 2.715 152 V HA 0.521 4.640 4.120 -0.000 0.000 0.310 152 V C -0.123 175.995 176.094 0.041 0.000 1.054 152 V CA -0.897 61.427 62.300 0.040 0.000 0.928 152 V CB 1.708 33.553 31.823 0.038 0.000 1.007 152 V HN 0.694 nan 8.190 nan 0.000 0.437 153 I N 4.234 124.831 120.570 0.045 0.000 2.404 153 I HA 0.437 4.606 4.170 -0.000 0.000 0.293 153 I C -0.961 175.171 176.117 0.025 0.000 0.992 153 I CA -0.664 60.664 61.300 0.047 0.000 1.149 153 I CB 1.835 39.879 38.000 0.073 0.000 1.315 153 I HN 0.386 nan 8.210 nan 0.000 0.446 154 L N 8.707 129.931 121.223 0.002 0.000 2.287 154 L HA 0.641 4.981 4.340 -0.000 0.000 0.287 154 L C -0.514 176.330 176.870 -0.042 0.000 1.022 154 L CA -0.276 54.533 54.840 -0.052 0.000 0.814 154 L CB 1.085 43.069 42.059 -0.125 0.000 1.217 154 L HN 0.491 nan 8.230 nan 0.000 0.420 155 I N 1.299 121.845 120.570 -0.041 0.000 2.603 155 I HA 0.840 5.010 4.170 -0.000 0.000 0.300 155 I C -1.000 175.091 176.117 -0.044 0.000 1.017 155 I CA -0.680 60.606 61.300 -0.023 0.000 1.098 155 I CB 2.107 40.103 38.000 -0.007 0.000 1.279 155 I HN 0.669 nan 8.210 nan 0.000 0.437 156 E N 4.093 124.279 120.200 -0.023 0.000 2.260 156 E HA 0.260 4.609 4.350 -0.000 0.000 0.266 156 E C 0.019 176.623 176.600 0.006 0.000 0.887 156 E CA -0.832 55.557 56.400 -0.017 0.000 0.777 156 E CB 1.941 31.628 29.700 -0.021 0.000 1.205 156 E HN 0.754 nan 8.360 nan 0.000 0.414 157 K N 3.031 123.436 120.400 0.009 0.000 2.148 157 K HA 0.053 4.373 4.320 -0.000 0.000 0.204 157 K C 0.264 176.890 176.600 0.044 0.000 1.050 157 K CA 0.575 56.871 56.287 0.014 0.000 0.942 157 K CB 0.062 32.568 32.500 0.010 0.000 0.724 157 K HN 0.349 nan 8.250 nan 0.000 0.446 158 E N 1.433 121.671 120.200 0.063 0.000 2.391 158 E HA 0.033 4.383 4.350 -0.000 0.000 0.255 158 E C -1.757 174.886 176.600 0.072 0.000 1.187 158 E CA -2.018 54.444 56.400 0.103 0.000 0.941 158 E CB 0.407 30.172 29.700 0.108 0.000 1.010 158 E HN 0.083 nan 8.360 nan 0.000 0.458 159 P HA -0.025 nan 4.420 nan 0.000 0.236 159 P C 0.453 177.728 177.300 -0.042 0.000 1.177 159 P CA 0.638 63.767 63.100 0.048 0.000 0.773 159 P CB 0.276 32.031 31.700 0.091 0.000 0.878 160 V N -2.217 117.610 119.914 -0.145 0.000 2.914 160 V HA 0.552 4.672 4.120 -0.000 0.000 0.314 160 V C 0.279 176.281 176.094 -0.153 0.000 1.084 160 V CA -1.918 60.263 62.300 -0.199 0.000 0.963 160 V CB 2.037 33.621 31.823 -0.398 0.000 1.025 160 V HN -0.017 nan 8.190 nan 0.000 0.432 161 I N 0.988 121.491 120.570 -0.112 0.000 2.945 161 I HA 0.805 4.975 4.170 -0.000 0.000 0.292 161 I C 1.175 177.256 176.117 -0.061 0.000 1.093 161 I CA 0.580 61.878 61.300 -0.003 0.000 1.336 161 I CB 1.007 39.100 38.000 0.155 0.000 1.435 161 I HN 1.437 nan 8.210 nan 0.000 0.593 162 G N 1.779 110.621 108.800 0.069 0.000 2.213 162 G HA2 0.015 3.974 3.960 -0.000 0.000 0.226 162 G HA3 0.015 3.974 3.960 -0.000 0.000 0.226 162 G C 0.898 175.810 174.900 0.020 0.000 0.992 162 G CA 0.040 45.176 45.100 0.061 0.000 0.632 162 G HN 2.090 nan 8.290 nan 0.000 0.511 163 G N 0.776 109.570 108.800 -0.010 0.000 2.594 163 G HA2 -0.375 3.584 3.960 -0.000 0.000 0.297 163 G HA3 -0.375 3.584 3.960 -0.000 0.000 0.297 163 G C 0.858 175.762 174.900 0.007 0.000 1.273 163 G CA 0.944 46.050 45.100 0.011 0.000 0.974 163 G HN 0.999 nan 8.290 nan 0.000 0.552 164 N N 0.990 119.704 118.700 0.023 0.000 2.409 164 N HA 0.104 4.844 4.740 -0.000 0.000 0.179 164 N C 2.507 178.044 175.510 0.045 0.000 1.032 164 N CA 1.587 54.653 53.050 0.027 0.000 0.898 164 N CB -0.494 37.995 38.487 0.003 0.000 0.971 164 N HN 0.822 nan 8.380 nan 0.000 0.441 165 A N 2.110 124.963 122.820 0.055 0.000 1.972 165 A HA -0.199 4.121 4.320 -0.000 0.000 0.219 165 A C 2.039 179.666 177.584 0.072 0.000 1.169 165 A CA 1.528 53.610 52.037 0.075 0.000 0.635 165 A CB -0.422 18.637 19.000 0.098 0.000 0.810 165 A HN 0.512 nan 8.150 nan 0.000 0.446 166 K N -0.105 120.326 120.400 0.052 0.000 2.442 166 K HA 0.078 4.397 4.320 -0.000 0.000 0.198 166 K C 1.122 177.785 176.600 0.105 0.000 1.042 166 K CA 1.222 57.544 56.287 0.057 0.000 0.958 166 K CB -0.362 32.132 32.500 -0.009 0.000 0.766 166 K HN 0.462 nan 8.250 nan 0.000 0.474 167 L N 0.905 122.187 121.223 0.098 0.000 2.567 167 L HA 0.248 4.587 4.340 -0.000 0.000 0.225 167 L C 0.901 177.823 176.870 0.086 0.000 1.119 167 L CA -0.522 54.379 54.840 0.102 0.000 0.871 167 L CB -0.067 42.054 42.059 0.103 0.000 1.036 167 L HN 0.150 nan 8.230 nan 0.000 0.459 168 A N 0.316 123.192 122.820 0.092 0.000 2.511 168 A HA 0.433 4.753 4.320 -0.000 0.000 0.242 168 A C 0.962 178.601 177.584 0.090 0.000 1.069 168 A CA 0.798 52.896 52.037 0.101 0.000 0.763 168 A CB 0.517 19.577 19.000 0.101 0.000 1.001 168 A HN 0.335 nan 8.150 nan 0.000 0.498 169 A N 2.681 125.558 122.820 0.096 0.000 2.080 169 A HA 0.468 4.787 4.320 -0.000 0.000 0.211 169 A C 2.045 179.675 177.584 0.077 0.000 1.708 169 A CA 1.047 53.131 52.037 0.078 0.000 0.825 169 A CB -0.940 18.114 19.000 0.089 0.000 1.261 169 A HN 1.287 nan 8.150 nan 0.000 0.573 170 G N -0.857 107.996 108.800 0.088 0.000 2.422 170 G HA2 0.391 4.351 3.960 -0.000 0.000 0.218 170 G HA3 0.391 4.351 3.960 -0.000 0.000 0.218 170 G C 0.821 175.764 174.900 0.072 0.000 1.140 170 G CA 1.260 46.403 45.100 0.073 0.000 0.775 170 G HN 1.743 nan 8.290 nan 0.000 0.545 171 G N -1.545 107.308 108.800 0.090 0.000 2.368 171 G HA2 0.319 4.279 3.960 -0.000 0.000 0.302 171 G HA3 0.319 4.279 3.960 -0.000 0.000 0.302 171 G C -1.176 173.799 174.900 0.124 0.000 1.329 171 G CA -0.291 44.875 45.100 0.109 0.000 0.935 171 G HN 0.456 nan 8.290 nan 0.000 0.590 172 M N 1.496 121.192 119.600 0.160 0.000 2.078 172 M HA 0.438 4.918 4.480 -0.000 0.000 0.320 172 M C -0.699 175.713 176.300 0.187 0.000 0.969 172 M CA -0.898 54.491 55.300 0.150 0.000 0.929 172 M CB 0.797 33.474 32.600 0.128 0.000 1.504 172 M HN 0.485 nan 8.290 nan 0.000 0.419 173 N N 3.524 122.318 118.700 0.158 0.000 2.513 173 N HA 0.658 5.397 4.740 -0.000 0.000 0.268 173 N C -0.999 174.591 175.510 0.134 0.000 1.180 173 N CA 0.104 53.263 53.050 0.182 0.000 0.948 173 N CB 1.412 39.980 38.487 0.135 0.000 1.083 173 N HN 0.764 nan 8.380 nan 0.000 0.455 174 A N 0.163 123.083 122.820 0.167 0.000 2.608 174 A HA 0.846 5.166 4.320 -0.000 0.000 0.292 174 A C -1.644 176.067 177.584 0.211 0.000 1.066 174 A CA -0.515 51.573 52.037 0.085 0.000 0.676 174 A CB 1.129 20.047 19.000 -0.137 0.000 1.277 174 A HN 0.741 nan 8.150 nan 0.000 0.413 175 A N -0.157 122.775 122.820 0.187 0.000 2.589 175 A HA 0.642 4.961 4.320 -0.000 0.000 0.296 175 A C -2.045 175.697 177.584 0.263 0.000 1.062 175 A CA -0.284 51.912 52.037 0.265 0.000 0.686 175 A CB 0.953 20.072 19.000 0.198 0.000 1.282 175 A HN 1.835 nan 8.150 nan 0.000 0.404 176 W N 3.640 124.976 121.300 0.061 0.000 2.282 176 W HA 0.536 5.195 4.660 -0.000 0.000 0.322 176 W C 0.415 176.979 176.519 0.074 0.000 1.011 176 W CA -0.476 56.913 57.345 0.073 0.000 1.392 176 W CB 0.800 30.292 29.460 0.054 0.000 1.215 176 W HN 0.900 nan 8.180 nan 0.000 0.394 177 T N 1.335 116.037 114.554 0.246 0.000 2.882 177 T HA 0.127 4.477 4.350 -0.000 0.000 0.287 177 T C 0.920 175.590 174.700 -0.050 0.000 1.014 177 T CA -0.227 61.929 62.100 0.094 0.000 1.049 177 T CB 1.476 70.474 68.868 0.216 0.000 1.001 177 T HN 0.342 nan 8.240 nan 0.000 0.525 178 D N 0.879 121.243 120.400 -0.060 0.000 2.182 178 D HA -0.098 4.542 4.640 -0.000 0.000 0.201 178 D C 2.112 178.406 176.300 -0.010 0.000 0.986 178 D CA 1.337 55.287 54.000 -0.084 0.000 0.847 178 D CB -0.216 40.553 40.800 -0.052 0.000 0.942 178 D HN 0.622 nan 8.370 nan 0.000 0.467 179 Q N 0.381 120.231 119.800 0.084 0.000 2.079 179 Q HA -0.089 4.250 4.340 -0.000 0.000 0.200 179 Q C 2.219 178.272 176.000 0.088 0.000 0.974 179 Q CA 1.051 56.923 55.803 0.115 0.000 0.840 179 Q CB -0.154 28.730 28.738 0.243 0.000 0.898 179 Q HN 0.393 nan 8.270 nan 0.000 0.430 180 Q N 0.279 120.168 119.800 0.149 0.000 2.050 180 Q HA -0.172 4.168 4.340 -0.000 0.000 0.202 180 Q C 1.919 178.013 176.000 0.157 0.000 0.980 180 Q CA 1.373 57.275 55.803 0.164 0.000 0.840 180 Q CB -0.047 28.903 28.738 0.355 0.000 0.898 180 Q HN 0.265 nan 8.270 nan 0.000 0.424 181 K N 0.198 120.636 120.400 0.063 0.000 2.097 181 K HA -0.113 4.207 4.320 -0.000 0.000 0.206 181 K C 2.009 178.624 176.600 0.025 0.000 1.049 181 K CA 1.142 57.435 56.287 0.012 0.000 0.933 181 K CB -0.160 32.199 32.500 -0.235 0.000 0.717 181 K HN 0.142 nan 8.250 nan 0.000 0.442 182 A N 1.340 124.166 122.820 0.009 0.000 2.070 182 A HA -0.122 4.198 4.320 -0.000 0.000 0.220 182 A C 1.403 179.001 177.584 0.024 0.000 1.159 182 A CA 1.334 53.378 52.037 0.011 0.000 0.656 182 A CB -0.002 19.002 19.000 0.007 0.000 0.800 182 A HN 0.051 nan 8.150 nan 0.000 0.453 183 K N -0.300 120.122 120.400 0.037 0.000 2.397 183 K HA 0.106 4.426 4.320 -0.000 0.000 0.202 183 K C -0.340 176.292 176.600 0.053 0.000 1.022 183 K CA -0.111 56.196 56.287 0.034 0.000 1.141 183 K CB 0.454 32.964 32.500 0.016 0.000 0.857 183 K HN 0.380 nan 8.250 nan 0.000 0.514 184 K N 0.420 120.866 120.400 0.077 0.000 3.117 184 K HA -0.179 4.141 4.320 -0.000 0.000 0.269 184 K C -0.167 176.503 176.600 0.117 0.000 1.098 184 K CA 0.605 56.950 56.287 0.096 0.000 0.785 184 K CB -2.349 30.188 32.500 0.062 0.000 1.242 184 K HN 0.294 nan 8.250 nan 0.000 0.491 185 I N 1.001 121.670 120.570 0.167 0.000 2.359 185 I HA 0.135 4.305 4.170 -0.000 0.000 0.294 185 I C 0.630 176.914 176.117 0.278 0.000 0.987 185 I CA -0.480 60.917 61.300 0.162 0.000 1.225 185 I CB 1.774 39.851 38.000 0.129 0.000 1.366 185 I HN -0.107 nan 8.210 nan 0.000 0.466 186 T N 4.491 119.074 114.554 0.048 0.000 2.758 186 T HA 0.392 4.742 4.350 -0.000 0.000 0.285 186 T C -0.662 173.742 174.700 -0.493 0.000 0.981 186 T CA -0.388 61.540 62.100 -0.287 0.000 0.965 186 T CB 1.108 69.832 68.868 -0.240 0.000 0.927 186 T HN 0.510 nan 8.240 nan 0.000 0.448 187 D N 0.899 120.678 120.400 -1.035 0.000 2.664 187 D HA 0.679 5.319 4.640 -0.000 0.000 0.292 187 D C -1.194 174.736 176.300 -0.617 0.000 1.214 187 D CA -0.349 53.313 54.000 -0.564 0.000 0.932 187 D CB 2.190 42.890 40.800 -0.167 0.000 1.420 187 D HN 0.567 nan 8.370 nan 0.000 0.471 188 S N -0.824 114.754 115.700 -0.203 0.000 2.550 188 S HA 0.548 5.017 4.470 -0.000 0.000 0.270 188 S C -2.510 172.123 174.600 0.056 0.000 1.145 188 S CA -0.963 57.210 58.200 -0.045 0.000 0.852 188 S CB 2.132 65.284 63.200 -0.080 0.000 1.119 188 S HN 0.201 nan 8.310 nan 0.000 0.465 189 P HA -0.069 nan 4.420 nan 0.000 0.216 189 P C 0.943 178.312 177.300 0.115 0.000 1.150 189 P CA 1.390 64.559 63.100 0.114 0.000 0.837 189 P CB 0.029 31.790 31.700 0.102 0.000 0.786 190 E N -0.784 119.456 120.200 0.067 0.000 2.077 190 E HA -0.146 4.203 4.350 -0.000 0.000 0.193 190 E C 1.857 178.532 176.600 0.125 0.000 0.989 190 E CA 0.752 57.191 56.400 0.065 0.000 0.800 190 E CB -1.189 28.513 29.700 0.004 0.000 0.746 190 E HN 0.114 nan 8.360 nan 0.000 0.452 191 L N 0.196 121.460 121.223 0.069 0.000 2.093 191 L HA -0.036 4.303 4.340 -0.000 0.000 0.208 191 L C 2.157 179.076 176.870 0.082 0.000 1.085 191 L CA 1.616 56.488 54.840 0.055 0.000 0.755 191 L CB -0.355 41.700 42.059 -0.007 0.000 0.904 191 L HN 0.224 nan 8.230 nan 0.000 0.435 192 M N -1.909 117.752 119.600 0.100 0.000 2.086 192 M HA -0.258 4.222 4.480 -0.000 0.000 0.261 192 M C 2.247 178.622 176.300 0.124 0.000 1.067 192 M CA 2.050 57.414 55.300 0.106 0.000 1.116 192 M CB -0.349 32.324 32.600 0.121 0.000 1.348 192 M HN 0.321 nan 8.290 nan 0.000 0.407 193 F N 1.316 121.282 119.950 0.026 0.000 2.095 193 F HA -0.257 4.270 4.527 -0.000 0.000 0.298 193 F C 1.904 177.711 175.800 0.012 0.000 1.104 193 F CA 2.408 60.421 58.000 0.021 0.000 1.232 193 F CB -0.329 38.682 39.000 0.019 0.000 0.987 193 F HN 0.266 nan 8.300 nan 0.000 0.475 194 E N -0.137 120.196 120.200 0.222 0.000 2.047 194 E HA -0.214 4.136 4.350 -0.000 0.000 0.191 194 E C 1.891 178.475 176.600 -0.026 0.000 0.987 194 E CA 1.378 57.839 56.400 0.101 0.000 0.799 194 E CB -0.264 29.518 29.700 0.136 0.000 0.752 194 E HN 0.412 nan 8.360 nan 0.000 0.449 195 D N 0.015 120.412 120.400 -0.006 0.000 2.123 195 D HA -0.124 4.516 4.640 -0.000 0.000 0.196 195 D C 1.960 178.221 176.300 -0.064 0.000 0.992 195 D CA 1.324 55.309 54.000 -0.024 0.000 0.833 195 D CB -0.419 40.381 40.800 -0.001 0.000 0.954 195 D HN 0.100 nan 8.370 nan 0.000 0.455 196 T N 0.895 115.389 114.554 -0.099 0.000 2.737 196 T HA -0.101 4.249 4.350 -0.000 0.000 0.265 196 T C 1.957 176.543 174.700 -0.189 0.000 1.038 196 T CA 0.836 62.862 62.100 -0.124 0.000 1.144 196 T CB -0.032 68.760 68.868 -0.127 0.000 0.866 196 T HN 0.043 nan 8.240 nan 0.000 0.434 197 M N 1.235 120.644 119.600 -0.318 0.000 2.080 197 M HA -0.045 4.435 4.480 -0.000 0.000 0.260 197 M C 2.260 178.462 176.300 -0.163 0.000 1.068 197 M CA 1.586 56.708 55.300 -0.298 0.000 1.109 197 M CB -1.069 31.283 32.600 -0.413 0.000 1.342 197 M HN 0.197 nan 8.290 nan 0.000 0.405 198 K N -0.200 120.129 120.400 -0.120 0.000 2.057 198 K HA -0.122 4.198 4.320 -0.000 0.000 0.207 198 K C 1.997 178.555 176.600 -0.070 0.000 1.049 198 K CA 1.693 57.937 56.287 -0.073 0.000 0.931 198 K CB -0.453 32.019 32.500 -0.046 0.000 0.714 198 K HN 0.387 nan 8.250 nan 0.000 0.440 199 G N -0.235 108.521 108.800 -0.072 0.000 2.432 199 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.219 199 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.219 199 G C 1.306 176.162 174.900 -0.075 0.000 1.135 199 G CA 0.770 45.832 45.100 -0.062 0.000 0.767 199 G HN 0.473 nan 8.290 nan 0.000 0.550 200 G N -0.848 107.894 108.800 -0.097 0.000 3.181 200 G HA2 0.309 4.269 3.960 -0.000 0.000 0.219 200 G HA3 0.309 4.269 3.960 -0.000 0.000 0.219 200 G C 0.599 175.409 174.900 -0.150 0.000 1.182 200 G CA 0.336 45.363 45.100 -0.123 0.000 0.791 200 G HN 0.495 nan 8.290 nan 0.000 0.537 201 Q N -0.356 119.377 119.800 -0.112 0.000 2.494 201 Q HA -0.211 4.129 4.340 -0.000 0.000 0.266 201 Q C 0.408 176.350 176.000 -0.096 0.000 1.053 201 Q CA 0.441 56.186 55.803 -0.096 0.000 1.029 201 Q CB -1.743 26.935 28.738 -0.100 0.000 1.423 201 Q HN 0.558 nan 8.270 nan 0.000 0.516 202 N N -1.024 117.615 118.700 -0.102 0.000 2.693 202 N HA -0.230 4.510 4.740 -0.000 0.000 0.249 202 N C 0.337 175.792 175.510 -0.091 0.000 1.119 202 N CA 1.311 54.306 53.050 -0.091 0.000 0.717 202 N CB -0.446 38.008 38.487 -0.054 0.000 1.071 202 N HN 0.405 nan 8.380 nan 0.000 0.555 203 I N 0.190 120.679 120.570 -0.134 0.000 2.852 203 I HA -0.015 4.154 4.170 -0.000 0.000 0.264 203 I C 1.080 177.128 176.117 -0.115 0.000 1.179 203 I CA 0.441 61.657 61.300 -0.141 0.000 1.480 203 I CB -0.595 37.227 38.000 -0.297 0.000 1.111 203 I HN 0.148 nan 8.210 nan 0.000 0.441 204 N N 2.764 121.385 118.700 -0.133 0.000 2.407 204 N HA -0.102 4.638 4.740 -0.000 0.000 0.250 204 N C 0.141 175.603 175.510 -0.080 0.000 1.236 204 N CA 0.106 53.082 53.050 -0.122 0.000 0.879 204 N CB 0.639 39.027 38.487 -0.165 0.000 1.088 204 N HN 0.095 nan 8.380 nan 0.000 0.450 205 D N 2.209 122.573 120.400 -0.060 0.000 2.363 205 D HA 0.047 4.687 4.640 -0.000 0.000 0.263 205 D C -1.447 174.859 176.300 0.010 0.000 1.258 205 D CA -1.943 52.047 54.000 -0.018 0.000 0.907 205 D CB 0.919 41.709 40.800 -0.016 0.000 1.107 205 D HN 0.326 nan 8.370 nan 0.000 0.495 206 P HA -0.098 nan 4.420 nan 0.000 0.220 206 P C 0.950 178.387 177.300 0.228 0.000 1.148 206 P CA 0.840 64.043 63.100 0.171 0.000 0.803 206 P CB 0.165 32.008 31.700 0.239 0.000 0.782 207 A N -0.154 122.745 122.820 0.132 0.000 1.930 207 A HA -0.096 4.224 4.320 -0.000 0.000 0.217 207 A C 2.290 179.951 177.584 0.128 0.000 1.175 207 A CA 1.152 53.257 52.037 0.114 0.000 0.627 207 A CB -1.486 17.559 19.000 0.076 0.000 0.815 207 A HN 0.131 nan 8.150 nan 0.000 0.443 208 L N -0.543 120.749 121.223 0.115 0.000 2.109 208 L HA -0.111 4.229 4.340 -0.000 0.000 0.207 208 L C 2.414 179.391 176.870 0.178 0.000 1.086 208 L CA 0.801 55.741 54.840 0.166 0.000 0.760 208 L CB -0.479 41.600 42.059 0.034 0.000 0.910 208 L HN 0.228 nan 8.230 nan 0.000 0.437 209 V N 0.037 120.017 119.914 0.109 0.000 2.515 209 V HA -0.268 3.852 4.120 -0.000 0.000 0.250 209 V C 2.521 178.789 176.094 0.290 0.000 1.058 209 V CA 1.608 63.965 62.300 0.095 0.000 1.064 209 V CB -0.554 31.177 31.823 -0.153 0.000 0.675 209 V HN 0.431 nan 8.190 nan 0.000 0.461 210 K N 0.114 120.733 120.400 0.365 0.000 2.097 210 K HA -0.141 4.179 4.320 -0.000 0.000 0.206 210 K C 2.072 178.740 176.600 0.112 0.000 1.049 210 K CA 1.396 57.838 56.287 0.259 0.000 0.933 210 K CB -0.103 32.464 32.500 0.111 0.000 0.717 210 K HN 0.342 nan 8.250 nan 0.000 0.442 211 V N 1.642 121.566 119.914 0.017 0.000 2.295 211 V HA -0.254 3.865 4.120 -0.000 0.000 0.246 211 V C 2.298 178.229 176.094 -0.271 0.000 1.049 211 V CA 1.524 63.649 62.300 -0.291 0.000 1.024 211 V CB -0.433 31.095 31.823 -0.492 0.000 0.648 211 V HN 0.341 nan 8.190 nan 0.000 0.447 212 L N 1.018 122.215 121.223 -0.043 0.000 1.990 212 L HA -0.225 4.115 4.340 -0.000 0.000 0.213 212 L C 2.742 179.664 176.870 0.088 0.000 1.072 212 L CA 2.771 57.645 54.840 0.056 0.000 0.755 212 L CB -0.690 41.463 42.059 0.156 0.000 0.889 212 L HN 0.546 nan 8.230 nan 0.000 0.432 213 S N -1.639 114.146 115.700 0.142 0.000 2.357 213 S HA -0.169 4.301 4.470 -0.000 0.000 0.221 213 S C 2.094 176.779 174.600 0.141 0.000 1.031 213 S CA 1.118 59.415 58.200 0.163 0.000 0.982 213 S CB -1.196 62.149 63.200 0.241 0.000 0.853 213 S HN 0.652 nan 8.310 nan 0.000 0.458 214 S N 1.468 117.255 115.700 0.144 0.000 2.402 214 S HA -0.092 4.378 4.470 -0.000 0.000 0.229 214 S C 1.661 176.363 174.600 0.171 0.000 1.021 214 S CA 0.861 59.148 58.200 0.145 0.000 0.974 214 S CB -1.082 62.205 63.200 0.147 0.000 0.800 214 S HN 0.778 nan 8.310 nan 0.000 0.484 215 H N 1.228 120.275 119.070 -0.039 0.000 2.548 215 H HA 0.151 4.707 4.556 -0.000 0.000 0.265 215 H C 2.489 177.790 175.328 -0.045 0.000 0.969 215 H CA 0.562 56.565 56.048 -0.075 0.000 1.155 215 H CB 0.185 29.851 29.762 -0.159 0.000 1.394 215 H HN 0.703 nan 8.280 nan 0.000 0.570 216 S N 1.325 117.093 115.700 0.112 0.000 2.368 216 S HA -0.219 4.251 4.470 -0.000 0.000 0.225 216 S C 2.042 176.663 174.600 0.036 0.000 1.030 216 S CA 1.275 59.520 58.200 0.074 0.000 0.999 216 S CB -0.107 63.144 63.200 0.084 0.000 0.844 216 S HN 0.371 nan 8.310 nan 0.000 0.459 217 K N 1.167 121.591 120.400 0.040 0.000 2.026 217 K HA -0.174 4.145 4.320 -0.000 0.000 0.208 217 K C 1.586 178.193 176.600 0.011 0.000 1.048 217 K CA 1.803 58.101 56.287 0.018 0.000 0.929 217 K CB -0.472 32.053 32.500 0.042 0.000 0.713 217 K HN 0.241 nan 8.250 nan 0.000 0.439 218 D N 0.396 120.797 120.400 0.001 0.000 2.133 218 D HA -0.129 4.511 4.640 -0.000 0.000 0.195 218 D C 1.952 178.282 176.300 0.050 0.000 0.997 218 D CA 1.281 55.276 54.000 -0.008 0.000 0.840 218 D CB -0.201 40.543 40.800 -0.094 0.000 0.947 218 D HN 0.170 nan 8.370 nan 0.000 0.452 219 S N -0.444 115.287 115.700 0.051 0.000 2.383 219 S HA -0.076 4.394 4.470 -0.000 0.000 0.227 219 S C 2.281 176.981 174.600 0.167 0.000 1.026 219 S CA 0.328 58.606 58.200 0.129 0.000 0.981 219 S CB -0.064 63.193 63.200 0.096 0.000 0.818 219 S HN 0.088 nan 8.310 nan 0.000 0.472 220 V N 2.473 122.423 119.914 0.061 0.000 2.343 220 V HA -0.183 3.937 4.120 -0.000 0.000 0.247 220 V C 2.032 178.163 176.094 0.061 0.000 1.051 220 V CA 1.789 64.097 62.300 0.013 0.000 1.036 220 V CB -0.647 31.093 31.823 -0.140 0.000 0.654 220 V HN 0.380 nan 8.190 nan 0.000 0.451 221 D N -1.452 118.992 120.400 0.074 0.000 2.144 221 D HA -0.202 4.438 4.640 -0.000 0.000 0.199 221 D C 1.705 178.090 176.300 0.141 0.000 0.984 221 D CA 1.194 55.243 54.000 0.083 0.000 0.834 221 D CB -0.236 40.604 40.800 0.067 0.000 0.955 221 D HN 0.638 nan 8.370 nan 0.000 0.465 222 W N 1.016 122.304 121.300 -0.019 0.000 2.379 222 W HA -0.110 4.550 4.660 -0.000 0.000 0.307 222 W C 2.065 178.577 176.519 -0.012 0.000 1.200 222 W CA 1.021 58.358 57.345 -0.014 0.000 1.297 222 W CB -0.215 29.239 29.460 -0.011 0.000 1.140 222 W HN -0.180 nan 8.180 nan 0.000 0.507 223 M N -0.147 119.496 119.600 0.072 0.000 2.117 223 M HA -0.159 4.321 4.480 -0.000 0.000 0.262 223 M C 1.860 178.101 176.300 -0.099 0.000 1.065 223 M CA 2.023 57.265 55.300 -0.098 0.000 1.114 223 M CB -1.915 30.692 32.600 0.012 0.000 1.361 223 M HN -0.076 nan 8.290 nan 0.000 0.408 224 T N 1.092 115.635 114.554 -0.019 0.000 2.746 224 T HA -0.038 4.312 4.350 -0.000 0.000 0.267 224 T C 1.876 176.553 174.700 -0.039 0.000 1.039 224 T CA 1.530 63.626 62.100 -0.007 0.000 1.142 224 T CB -0.282 68.602 68.868 0.026 0.000 0.866 224 T HN 0.485 nan 8.240 nan 0.000 0.444 225 A N 1.208 123.997 122.820 -0.052 0.000 1.972 225 A HA 0.010 4.330 4.320 -0.000 0.000 0.219 225 A C 2.193 179.703 177.584 -0.124 0.000 1.169 225 A CA 1.295 53.292 52.037 -0.067 0.000 0.635 225 A CB -0.597 18.378 19.000 -0.041 0.000 0.810 225 A HN 0.464 nan 8.150 nan 0.000 0.446 226 M N -1.707 117.766 119.600 -0.212 0.000 2.595 226 M HA 0.133 4.613 4.480 -0.000 0.000 0.248 226 M C 1.288 177.488 176.300 -0.168 0.000 1.119 226 M CA 0.912 56.065 55.300 -0.245 0.000 1.079 226 M CB 0.325 32.679 32.600 -0.410 0.000 1.472 226 M HN 0.652 nan 8.290 nan 0.000 0.501 227 G N 0.100 108.831 108.800 -0.115 0.000 2.183 227 G HA2 -0.084 3.875 3.960 -0.000 0.000 0.168 227 G HA3 -0.084 3.875 3.960 -0.000 0.000 0.168 227 G C 0.081 174.974 174.900 -0.013 0.000 1.008 227 G CA -0.179 44.887 45.100 -0.057 0.000 0.677 227 G HN 0.600 nan 8.290 nan 0.000 0.498 228 A N 0.126 122.922 122.820 -0.041 0.000 2.386 228 A HA 0.558 4.877 4.320 -0.000 0.000 0.248 228 A C 0.061 177.768 177.584 0.205 0.000 1.082 228 A CA 0.545 52.619 52.037 0.063 0.000 0.789 228 A CB 0.589 19.563 19.000 -0.042 0.000 1.025 228 A HN 0.408 nan 8.150 nan 0.000 0.490 229 D N 1.560 122.209 120.400 0.415 0.000 2.412 229 D HA 0.427 5.067 4.640 -0.000 0.000 0.224 229 D C -0.441 175.955 176.300 0.160 0.000 1.093 229 D CA -0.025 54.075 54.000 0.167 0.000 0.850 229 D CB 0.326 41.125 40.800 -0.001 0.000 1.046 229 D HN 0.325 nan 8.370 nan 0.000 0.507 230 L N 3.629 124.939 121.223 0.144 0.000 3.209 230 L HA 0.158 4.498 4.340 -0.000 0.000 0.279 230 L C 1.710 178.692 176.870 0.187 0.000 1.301 230 L CA -0.118 54.830 54.840 0.180 0.000 1.004 230 L CB 0.554 42.723 42.059 0.184 0.000 1.402 230 L HN 0.415 nan 8.230 nan 0.000 0.577 231 T N -5.416 109.199 114.554 0.102 0.000 3.067 231 T HA -0.014 4.335 4.350 -0.000 0.000 0.257 231 T C 0.587 175.300 174.700 0.022 0.000 1.105 231 T CA 0.008 62.149 62.100 0.069 0.000 1.104 231 T CB 0.081 68.972 68.868 0.039 0.000 0.925 231 T HN 0.151 nan 8.240 nan 0.000 0.498 232 D N 1.177 121.582 120.400 0.008 0.000 2.264 232 D HA 0.408 5.048 4.640 -0.000 0.000 0.250 232 D C -0.986 175.271 176.300 -0.071 0.000 1.113 232 D CA -0.388 53.597 54.000 -0.025 0.000 0.871 232 D CB 1.324 42.114 40.800 -0.017 0.000 1.167 232 D HN 0.069 nan 8.370 nan 0.000 0.447 233 V N 3.770 123.616 119.914 -0.114 0.000 2.380 233 V HA 0.700 4.820 4.120 -0.000 0.000 0.286 233 V C 0.855 176.889 176.094 -0.101 0.000 1.015 233 V CA -0.779 61.399 62.300 -0.203 0.000 0.834 233 V CB 1.262 32.886 31.823 -0.332 0.000 1.009 233 V HN 0.627 nan 8.190 nan 0.000 0.428 234 G N 3.182 111.943 108.800 -0.065 0.000 2.552 234 G HA2 0.678 4.637 3.960 -0.000 0.000 0.324 234 G HA3 0.678 4.637 3.960 -0.000 0.000 0.324 234 G C -0.812 174.078 174.900 -0.016 0.000 1.217 234 G CA -0.857 44.225 45.100 -0.030 0.000 0.989 234 G HN 0.546 nan 8.290 nan 0.000 0.490 235 M N 0.896 120.491 119.600 -0.009 0.000 2.233 235 M HA 0.621 5.101 4.480 -0.000 0.000 0.355 235 M C -0.390 175.908 176.300 -0.002 0.000 1.191 235 M CA -0.496 54.803 55.300 -0.003 0.000 1.101 235 M CB 1.081 33.681 32.600 -0.001 0.000 1.592 235 M HN 0.304 nan 8.290 nan 0.000 0.461 236 M N 2.287 121.886 119.600 -0.001 0.000 2.761 236 M HA 0.542 5.022 4.480 -0.000 0.000 0.305 236 M C 0.292 176.580 176.300 -0.021 0.000 1.235 236 M CA -0.730 54.564 55.300 -0.011 0.000 0.850 236 M CB 1.376 33.974 32.600 -0.002 0.000 1.744 236 M HN 0.845 nan 8.290 nan 0.000 0.480 237 G N -0.335 108.441 108.800 -0.040 0.000 2.432 237 G HA2 0.384 4.344 3.960 -0.000 0.000 0.239 237 G HA3 0.384 4.344 3.960 -0.000 0.000 0.239 237 G C 0.825 175.703 174.900 -0.037 0.000 1.291 237 G CA 0.450 45.523 45.100 -0.046 0.000 0.863 237 G HN 1.140 nan 8.290 nan 0.000 0.560 238 G N -0.176 108.607 108.800 -0.029 0.000 2.153 238 G HA2 0.174 4.134 3.960 -0.000 0.000 0.252 238 G HA3 0.174 4.134 3.960 -0.000 0.000 0.252 238 G C 0.474 175.365 174.900 -0.014 0.000 0.994 238 G CA 0.638 45.724 45.100 -0.024 0.000 0.698 238 G HN 1.933 nan 8.290 nan 0.000 0.521 239 A N -0.490 122.325 122.820 -0.008 0.000 2.337 239 A HA 0.864 5.184 4.320 -0.000 0.000 0.329 239 A C 1.201 178.785 177.584 -0.000 0.000 1.146 239 A CA 0.834 52.872 52.037 0.001 0.000 0.800 239 A CB 1.334 20.340 19.000 0.009 0.000 1.220 239 A HN 0.670 nan 8.150 nan 0.000 0.472 240 S N -0.346 115.354 115.700 -0.000 0.000 2.428 240 S HA 0.123 4.593 4.470 -0.000 0.000 0.230 240 S C 0.838 175.432 174.600 -0.010 0.000 1.014 240 S CA 1.298 59.494 58.200 -0.006 0.000 0.957 240 S CB -0.495 62.699 63.200 -0.011 0.000 0.784 240 S HN 1.445 nan 8.310 nan 0.000 0.499 241 V N -1.256 118.654 119.914 -0.006 0.000 3.206 241 V HA 0.590 4.709 4.120 -0.000 0.000 0.305 241 V C -1.616 174.481 176.094 0.005 0.000 1.257 241 V CA -1.658 60.638 62.300 -0.007 0.000 1.057 241 V CB 1.170 32.979 31.823 -0.023 0.000 1.075 241 V HN -0.118 nan 8.190 nan 0.000 0.443 242 N N 2.151 120.852 118.700 0.003 0.000 2.452 242 N HA 0.434 5.174 4.740 -0.000 0.000 0.266 242 N C 0.615 176.129 175.510 0.006 0.000 1.209 242 N CA 0.425 53.474 53.050 -0.002 0.000 0.929 242 N CB 0.326 38.803 38.487 -0.017 0.000 1.063 242 N HN 0.860 nan 8.380 nan 0.000 0.472 243 R N 0.422 120.936 120.500 0.022 0.000 2.496 243 R HA 0.385 4.725 4.340 -0.000 0.000 0.369 243 R C -0.673 175.716 176.300 0.149 0.000 0.896 243 R CA -0.458 55.692 56.100 0.084 0.000 1.147 243 R CB 0.058 30.448 30.300 0.151 0.000 1.697 243 R HN 0.304 nan 8.270 nan 0.000 0.518 244 A N 2.250 125.109 122.820 0.065 0.000 2.316 244 A HA 0.337 4.657 4.320 -0.000 0.000 0.311 244 A C -0.783 176.850 177.584 0.081 0.000 1.339 244 A CA -0.464 51.645 52.037 0.119 0.000 0.960 244 A CB -0.190 18.852 19.000 0.070 0.000 1.152 244 A HN 0.391 nan 8.150 nan 0.000 0.547 245 H N 2.810 121.921 119.070 0.068 0.000 2.525 245 H HA 0.578 5.134 4.556 -0.000 0.000 0.339 245 H C 0.348 175.717 175.328 0.068 0.000 1.109 245 H CA -0.123 55.966 56.048 0.068 0.000 1.352 245 H CB 1.138 30.947 29.762 0.079 0.000 1.461 245 H HN 0.862 nan 8.280 nan 0.000 0.533 246 R N 1.501 122.094 120.500 0.155 0.000 2.728 246 R HA 0.371 4.711 4.340 -0.000 0.000 0.274 246 R C -3.651 172.684 176.300 0.059 0.000 1.030 246 R CA -2.133 54.031 56.100 0.107 0.000 0.876 246 R CB 0.586 30.927 30.300 0.069 0.000 1.259 246 R HN 0.258 nan 8.270 nan 0.000 0.468 247 P HA 0.060 nan 4.420 nan 0.000 0.270 247 P C -0.451 176.815 177.300 -0.057 0.000 1.223 247 P CA 0.104 63.156 63.100 -0.080 0.000 0.785 247 P CB 0.354 31.913 31.700 -0.236 0.000 0.923 248 T N 2.119 116.638 114.554 -0.059 0.000 2.777 248 T HA 0.172 4.521 4.350 -0.000 0.000 0.273 248 T C 1.440 176.113 174.700 -0.046 0.000 1.016 248 T CA 2.033 64.107 62.100 -0.043 0.000 1.156 248 T CB -0.902 67.940 68.868 -0.043 0.000 1.019 248 T HN 0.861 nan 8.240 nan 0.000 0.503 249 G N 2.482 111.261 108.800 -0.035 0.000 2.176 249 G HA2 -0.005 3.955 3.960 -0.000 0.000 0.253 249 G HA3 -0.005 3.955 3.960 -0.000 0.000 0.253 249 G C 0.882 175.758 174.900 -0.040 0.000 0.979 249 G CA 0.268 45.346 45.100 -0.035 0.000 0.641 249 G HN 2.059 nan 8.290 nan 0.000 0.530 250 G N -0.952 107.826 108.800 -0.037 0.000 2.165 250 G HA2 0.273 4.233 3.960 -0.000 0.000 0.226 250 G HA3 0.273 4.233 3.960 -0.000 0.000 0.226 250 G C 0.745 175.620 174.900 -0.042 0.000 1.035 250 G CA 0.959 46.038 45.100 -0.035 0.000 0.744 250 G HN 2.255 nan 8.290 nan 0.000 0.501 251 A N -0.219 122.573 122.820 -0.047 0.000 2.327 251 A HA 0.769 5.089 4.320 -0.000 0.000 0.255 251 A C 1.361 178.931 177.584 -0.023 0.000 1.099 251 A CA 0.614 52.621 52.037 -0.051 0.000 0.801 251 A CB 0.261 19.220 19.000 -0.069 0.000 1.062 251 A HN 1.899 nan 8.150 nan 0.000 0.496 252 G N -0.925 107.866 108.800 -0.015 0.000 2.340 252 G HA2 0.341 4.301 3.960 -0.000 0.000 0.245 252 G HA3 0.341 4.301 3.960 -0.000 0.000 0.245 252 G C 0.781 175.721 174.900 0.067 0.000 1.294 252 G CA 0.281 45.395 45.100 0.022 0.000 0.896 252 G HN 1.129 nan 8.290 nan 0.000 0.522 253 V N 3.270 123.237 119.914 0.089 0.000 2.453 253 V HA 0.010 4.130 4.120 -0.000 0.000 0.247 253 V C 2.488 178.667 176.094 0.143 0.000 1.048 253 V CA 2.809 65.188 62.300 0.132 0.000 1.049 253 V CB -0.604 31.294 31.823 0.126 0.000 0.672 253 V HN 0.780 nan 8.190 nan 0.000 0.457 254 G N -0.660 108.208 108.800 0.113 0.000 2.404 254 G HA2 -0.155 3.804 3.960 -0.000 0.000 0.214 254 G HA3 -0.155 3.804 3.960 -0.000 0.000 0.214 254 G C 1.789 176.746 174.900 0.094 0.000 1.189 254 G CA 0.891 46.051 45.100 0.100 0.000 0.789 254 G HN 0.686 nan 8.290 nan 0.000 0.533 255 A N -0.014 122.874 122.820 0.114 0.000 1.940 255 A HA -0.147 4.173 4.320 -0.000 0.000 0.219 255 A C 2.104 179.755 177.584 0.112 0.000 1.176 255 A CA 1.982 54.089 52.037 0.117 0.000 0.631 255 A CB -0.891 18.204 19.000 0.158 0.000 0.814 255 A HN 0.597 nan 8.150 nan 0.000 0.446 256 H N -0.536 118.553 119.070 0.030 0.000 2.293 256 H HA -0.096 4.459 4.556 -0.000 0.000 0.300 256 H C 2.076 177.404 175.328 -0.001 0.000 1.082 256 H CA 1.964 58.021 56.048 0.015 0.000 1.308 256 H CB 0.022 29.795 29.762 0.019 0.000 1.375 256 H HN 0.232 nan 8.280 nan 0.000 0.495 257 V N 0.752 120.599 119.914 -0.111 0.000 2.332 257 V HA -0.232 3.888 4.120 -0.000 0.000 0.248 257 V C 2.853 178.853 176.094 -0.157 0.000 1.055 257 V CA 1.455 63.655 62.300 -0.167 0.000 1.038 257 V CB -0.417 31.397 31.823 -0.015 0.000 0.651 257 V HN 0.281 nan 8.190 nan 0.000 0.450 258 V N -0.451 119.410 119.914 -0.089 0.000 2.427 258 V HA -0.288 3.832 4.120 -0.000 0.000 0.248 258 V C 2.422 178.390 176.094 -0.210 0.000 1.051 258 V CA 2.142 64.365 62.300 -0.129 0.000 1.048 258 V CB -0.635 31.163 31.823 -0.042 0.000 0.666 258 V HN 0.566 nan 8.190 nan 0.000 0.456 259 Q N 0.236 119.954 119.800 -0.137 0.000 2.084 259 Q HA -0.161 4.179 4.340 -0.000 0.000 0.202 259 Q C 2.067 177.991 176.000 -0.127 0.000 0.978 259 Q CA 2.179 57.925 55.803 -0.096 0.000 0.844 259 Q CB -0.538 28.184 28.738 -0.027 0.000 0.898 259 Q HN 0.449 nan 8.270 nan 0.000 0.426 260 V N 0.377 120.153 119.914 -0.230 0.000 2.295 260 V HA -0.268 3.852 4.120 -0.000 0.000 0.246 260 V C 2.303 178.242 176.094 -0.259 0.000 1.049 260 V CA 1.827 63.976 62.300 -0.252 0.000 1.024 260 V CB -0.595 31.017 31.823 -0.352 0.000 0.648 260 V HN 0.380 nan 8.190 nan 0.000 0.447 261 L N -1.410 119.628 121.223 -0.308 0.000 2.046 261 L HA -0.205 4.135 4.340 -0.000 0.000 0.208 261 L C 2.487 179.054 176.870 -0.506 0.000 1.077 261 L CA 2.002 56.624 54.840 -0.363 0.000 0.747 261 L CB -0.732 41.125 42.059 -0.337 0.000 0.896 261 L HN 0.404 nan 8.230 nan 0.000 0.432 262 Y N 1.283 121.103 120.300 -0.801 0.000 2.128 262 Y HA -0.327 4.223 4.550 -0.000 0.000 0.284 262 Y C 2.302 178.055 175.900 -0.245 0.000 1.154 262 Y CA 1.962 59.683 58.100 -0.632 0.000 1.149 262 Y CB -0.255 37.937 38.460 -0.447 0.000 0.976 262 Y HN 0.216 nan 8.280 nan 0.000 0.505 263 D N -0.206 120.086 120.400 -0.179 0.000 2.144 263 D HA -0.197 4.443 4.640 -0.000 0.000 0.199 263 D C 1.821 177.995 176.300 -0.210 0.000 0.984 263 D CA 1.351 55.240 54.000 -0.184 0.000 0.834 263 D CB -0.452 40.301 40.800 -0.079 0.000 0.955 263 D HN 0.499 nan 8.370 nan 0.000 0.465 264 N N 0.389 118.970 118.700 -0.199 0.000 2.188 264 N HA -0.088 4.652 4.740 -0.000 0.000 0.184 264 N C 1.736 177.172 175.510 -0.123 0.000 1.018 264 N CA 0.976 53.926 53.050 -0.165 0.000 0.858 264 N CB 0.090 38.458 38.487 -0.198 0.000 0.989 264 N HN 0.090 nan 8.380 nan 0.000 0.426 265 A N 0.917 123.668 122.820 -0.116 0.000 1.898 265 A HA -0.050 4.270 4.320 -0.000 0.000 0.216 265 A C 2.502 180.024 177.584 -0.104 0.000 1.181 265 A CA 0.975 52.998 52.037 -0.024 0.000 0.620 265 A CB -0.650 18.460 19.000 0.184 0.000 0.819 265 A HN 0.080 nan 8.150 nan 0.000 0.442 266 V N 0.336 120.098 119.914 -0.253 0.000 2.343 266 V HA -0.265 3.855 4.120 -0.000 0.000 0.247 266 V C 2.530 178.546 176.094 -0.132 0.000 1.051 266 V CA 2.351 64.505 62.300 -0.243 0.000 1.036 266 V CB -0.632 30.957 31.823 -0.389 0.000 0.654 266 V HN 0.717 nan 8.190 nan 0.000 0.451 267 K N 0.319 120.646 120.400 -0.121 0.000 2.103 267 K HA -0.178 4.142 4.320 -0.000 0.000 0.207 267 K C 2.089 178.659 176.600 -0.051 0.000 1.048 267 K CA 1.551 57.792 56.287 -0.077 0.000 0.930 267 K CB -0.084 32.369 32.500 -0.078 0.000 0.716 267 K HN 0.365 nan 8.250 nan 0.000 0.444 268 R N 0.098 120.572 120.500 -0.044 0.000 2.310 268 R HA 0.087 4.427 4.340 -0.000 0.000 0.202 268 R C -0.019 176.275 176.300 -0.010 0.000 0.933 268 R CA 0.296 56.385 56.100 -0.018 0.000 1.054 268 R CB -0.109 30.190 30.300 -0.002 0.000 0.985 268 R HN 0.293 nan 8.270 nan 0.000 0.489 269 N N 0.703 119.390 118.700 -0.021 0.000 2.740 269 N HA -0.174 4.566 4.740 -0.000 0.000 0.248 269 N C -0.981 174.532 175.510 0.005 0.000 1.062 269 N CA 0.344 53.387 53.050 -0.011 0.000 0.704 269 N CB -0.836 37.649 38.487 -0.004 0.000 0.968 269 N HN 0.240 nan 8.380 nan 0.000 0.547 270 I N 0.028 120.604 120.570 0.010 0.000 2.556 270 I HA -0.001 4.168 4.170 -0.000 0.000 0.284 270 I C 0.788 176.925 176.117 0.034 0.000 1.114 270 I CA -0.144 61.174 61.300 0.030 0.000 1.418 270 I CB 0.462 38.493 38.000 0.052 0.000 1.394 270 I HN 0.177 nan 8.210 nan 0.000 0.552 271 D N 7.434 127.856 120.400 0.037 0.000 2.348 271 D HA 0.124 4.764 4.640 -0.000 0.000 0.259 271 D C -0.896 175.431 176.300 0.046 0.000 1.296 271 D CA -0.221 53.806 54.000 0.045 0.000 0.931 271 D CB 0.467 41.296 40.800 0.048 0.000 1.067 271 D HN 0.160 nan 8.370 nan 0.000 0.503 272 L N 4.743 126.000 121.223 0.056 0.000 2.296 272 L HA 0.467 4.807 4.340 -0.000 0.000 0.286 272 L C -0.706 176.207 176.870 0.072 0.000 1.023 272 L CA -0.438 54.435 54.840 0.055 0.000 0.812 272 L CB 1.088 43.209 42.059 0.102 0.000 1.223 272 L HN 0.201 nan 8.230 nan 0.000 0.421 273 R N 6.190 126.726 120.500 0.060 0.000 2.409 273 R HA 0.553 4.893 4.340 -0.000 0.000 0.313 273 R C -0.772 175.570 176.300 0.070 0.000 0.953 273 R CA -0.891 55.257 56.100 0.080 0.000 0.849 273 R CB 1.540 31.900 30.300 0.100 0.000 1.171 273 R HN 0.516 nan 8.270 nan 0.000 0.458 274 M N 1.524 121.176 119.600 0.087 0.000 2.267 274 M HA 0.174 4.654 4.480 -0.000 0.000 0.303 274 M C 0.730 177.090 176.300 0.101 0.000 1.164 274 M CA -0.354 54.996 55.300 0.083 0.000 1.060 274 M CB 0.142 32.797 32.600 0.093 0.000 1.455 274 M HN 0.586 nan 8.290 nan 0.000 0.483 275 N N -0.070 118.683 118.700 0.089 0.000 2.710 275 N HA -0.144 4.595 4.740 -0.000 0.000 0.249 275 N C -0.951 174.575 175.510 0.026 0.000 1.059 275 N CA 0.744 53.838 53.050 0.072 0.000 0.720 275 N CB -1.499 37.079 38.487 0.152 0.000 0.983 275 N HN 0.650 nan 8.380 nan 0.000 0.544 276 T N 0.633 115.196 114.554 0.015 0.000 2.930 276 T HA 0.292 4.641 4.350 -0.000 0.000 0.313 276 T C 0.220 174.893 174.700 -0.045 0.000 1.019 276 T CA -0.598 61.493 62.100 -0.015 0.000 1.004 276 T CB 2.009 70.893 68.868 0.027 0.000 0.987 276 T HN 0.176 nan 8.240 nan 0.000 0.456 277 R N 2.044 122.495 120.500 -0.081 0.000 2.294 277 R HA 0.610 4.950 4.340 -0.000 0.000 0.319 277 R C 0.493 176.751 176.300 -0.070 0.000 0.984 277 R CA -0.503 55.559 56.100 -0.064 0.000 0.861 277 R CB 0.800 31.059 30.300 -0.068 0.000 1.104 277 R HN 0.743 nan 8.270 nan 0.000 0.451 278 G N 4.417 113.193 108.800 -0.041 0.000 2.361 278 G HA2 0.189 4.149 3.960 -0.000 0.000 0.260 278 G HA3 0.189 4.149 3.960 -0.000 0.000 0.260 278 G C 0.564 175.459 174.900 -0.008 0.000 1.261 278 G CA -0.472 44.612 45.100 -0.027 0.000 0.897 278 G HN 0.560 nan 8.290 nan 0.000 0.499 279 I N 0.783 121.358 120.570 0.009 0.000 3.443 279 I HA 0.248 4.417 4.170 -0.000 0.000 0.277 279 I C 0.855 176.988 176.117 0.025 0.000 1.169 279 I CA 0.802 62.124 61.300 0.036 0.000 1.419 279 I CB -0.134 37.932 38.000 0.109 0.000 1.331 279 I HN 0.504 nan 8.210 nan 0.000 0.458 280 E N 1.169 121.382 120.200 0.023 0.000 2.313 280 E HA 0.320 4.670 4.350 -0.000 0.000 0.280 280 E C -1.433 175.173 176.600 0.009 0.000 0.898 280 E CA -0.206 56.197 56.400 0.005 0.000 0.803 280 E CB 2.725 32.418 29.700 -0.011 0.000 1.286 280 E HN -0.191 nan 8.360 nan 0.000 0.401 281 V N 5.461 125.378 119.914 0.005 0.000 2.572 281 V HA 0.139 4.259 4.120 -0.000 0.000 0.291 281 V C 0.372 176.465 176.094 -0.002 0.000 1.039 281 V CA 0.099 62.408 62.300 0.014 0.000 1.055 281 V CB 0.517 32.345 31.823 0.009 0.000 0.969 281 V HN 0.577 nan 8.190 nan 0.000 0.482 282 L N 6.373 127.602 121.223 0.010 0.000 2.289 282 L HA 0.551 4.891 4.340 -0.000 0.000 0.285 282 L C 0.157 177.026 176.870 -0.002 0.000 1.049 282 L CA -0.383 54.442 54.840 -0.026 0.000 0.804 282 L CB 0.946 42.968 42.059 -0.062 0.000 1.195 282 L HN 0.570 nan 8.230 nan 0.000 0.428 283 K N 1.418 121.804 120.400 -0.022 0.000 2.318 283 K HA 0.365 4.685 4.320 -0.000 0.000 0.249 283 K C -0.969 175.625 176.600 -0.011 0.000 0.942 283 K CA -0.969 55.316 56.287 -0.003 0.000 0.808 283 K CB 2.170 34.665 32.500 -0.008 0.000 1.189 283 K HN 0.582 nan 8.250 nan 0.000 0.428 284 D N -0.098 120.310 120.400 0.013 0.000 2.440 284 D HA -0.072 4.568 4.640 -0.000 0.000 0.269 284 D C 0.612 176.914 176.300 0.002 0.000 1.249 284 D CA -0.168 53.838 54.000 0.010 0.000 1.055 284 D CB 0.303 41.124 40.800 0.035 0.000 1.104 284 D HN 0.610 nan 8.370 nan 0.000 0.561 285 D N -1.261 119.142 120.400 0.004 0.000 2.347 285 D HA -0.131 4.509 4.640 -0.000 0.000 0.215 285 D C 0.910 177.212 176.300 0.003 0.000 0.976 285 D CA 0.440 54.440 54.000 -0.001 0.000 0.884 285 D CB -0.027 40.773 40.800 -0.001 0.000 0.915 285 D HN 0.315 nan 8.370 nan 0.000 0.526 286 K N -0.156 120.252 120.400 0.012 0.000 2.372 286 K HA 0.199 4.519 4.320 -0.000 0.000 0.200 286 K C 0.814 177.423 176.600 0.015 0.000 1.022 286 K CA 0.306 56.602 56.287 0.015 0.000 1.125 286 K CB 0.668 33.181 32.500 0.023 0.000 0.855 286 K HN 0.222 nan 8.250 nan 0.000 0.524 287 G N 2.154 110.961 108.800 0.011 0.000 2.143 287 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.248 287 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.248 287 G C 0.183 175.093 174.900 0.017 0.000 0.991 287 G CA 0.747 45.850 45.100 0.006 0.000 0.689 287 G HN 0.417 nan 8.290 nan 0.000 0.522 288 T N -1.944 112.635 114.554 0.042 0.000 2.928 288 T HA 0.658 5.008 4.350 -0.000 0.000 0.284 288 T C 0.600 175.344 174.700 0.074 0.000 1.008 288 T CA -0.202 61.942 62.100 0.074 0.000 1.057 288 T CB 2.168 71.120 68.868 0.139 0.000 1.018 288 T HN 0.845 nan 8.240 nan 0.000 0.493 289 V N 4.186 124.147 119.914 0.078 0.000 2.694 289 V HA 0.139 4.259 4.120 -0.000 0.000 0.306 289 V C 1.490 177.661 176.094 0.129 0.000 1.054 289 V CA 0.559 62.910 62.300 0.085 0.000 1.161 289 V CB 0.327 32.196 31.823 0.077 0.000 0.916 289 V HN 1.099 nan 8.190 nan 0.000 0.490 290 K N 3.194 123.666 120.400 0.120 0.000 2.402 290 K HA 0.574 4.894 4.320 -0.000 0.000 0.203 290 K C 0.581 177.323 176.600 0.236 0.000 1.077 290 K CA 0.432 56.817 56.287 0.162 0.000 1.051 290 K CB 1.164 33.742 32.500 0.131 0.000 0.907 290 K HN 0.865 nan 8.250 nan 0.000 0.554 291 G N 1.086 110.011 108.800 0.210 0.000 2.344 291 G HA2 0.285 4.244 3.960 -0.000 0.000 0.282 291 G HA3 0.285 4.244 3.960 -0.000 0.000 0.282 291 G C -2.193 172.832 174.900 0.209 0.000 1.281 291 G CA -0.674 44.592 45.100 0.277 0.000 0.877 291 G HN 0.124 nan 8.290 nan 0.000 0.494 292 I N -0.304 120.416 120.570 0.251 0.000 2.692 292 I HA 0.620 4.789 4.170 -0.000 0.000 0.293 292 I C -1.393 174.839 176.117 0.191 0.000 1.200 292 I CA -1.059 60.336 61.300 0.157 0.000 1.036 292 I CB 1.892 39.950 38.000 0.097 0.000 1.258 292 I HN 0.703 nan 8.210 nan 0.000 0.421 293 L N 9.002 130.299 121.223 0.123 0.000 2.319 293 L HA 0.608 4.948 4.340 -0.000 0.000 0.280 293 L C -0.668 176.224 176.870 0.036 0.000 1.099 293 L CA 0.124 55.036 54.840 0.119 0.000 0.828 293 L CB 1.274 43.378 42.059 0.076 0.000 1.150 293 L HN 0.420 nan 8.230 nan 0.000 0.442 294 V N 2.434 122.297 119.914 -0.085 0.000 3.046 294 V HA 0.664 4.784 4.120 -0.000 0.000 0.316 294 V C -0.779 175.169 176.094 -0.243 0.000 1.104 294 V CA -1.009 61.163 62.300 -0.212 0.000 1.006 294 V CB 1.834 33.414 31.823 -0.404 0.000 1.058 294 V HN 0.853 nan 8.190 nan 0.000 0.440 295 K N 1.916 122.144 120.400 -0.287 0.000 2.483 295 K HA 0.648 4.968 4.320 -0.000 0.000 0.256 295 K C -0.010 176.418 176.600 -0.287 0.000 0.961 295 K CA -0.244 55.765 56.287 -0.463 0.000 0.873 295 K CB 1.195 33.295 32.500 -0.666 0.000 1.107 295 K HN 1.238 nan 8.250 nan 0.000 0.432 296 G N 3.545 112.236 108.800 -0.183 0.000 2.370 296 G HA2 0.097 4.057 3.960 -0.000 0.000 0.272 296 G HA3 0.097 4.057 3.960 -0.000 0.000 0.272 296 G C 0.699 175.521 174.900 -0.130 0.000 1.208 296 G CA -0.578 44.494 45.100 -0.046 0.000 0.856 296 G HN 0.890 nan 8.290 nan 0.000 0.500 297 M N 2.581 122.067 119.600 -0.189 0.000 2.149 297 M HA -0.116 4.364 4.480 -0.000 0.000 0.261 297 M C 1.252 177.259 176.300 -0.488 0.000 1.064 297 M CA 1.782 56.836 55.300 -0.410 0.000 1.102 297 M CB -0.052 32.169 32.600 -0.631 0.000 1.369 297 M HN 0.686 nan 8.290 nan 0.000 0.408 298 Y N -0.830 119.482 120.300 0.019 0.000 2.524 298 Y HA 0.162 4.712 4.550 -0.000 0.000 0.270 298 Y C 1.857 177.776 175.900 0.033 0.000 1.094 298 Y CA 0.330 58.450 58.100 0.034 0.000 1.276 298 Y CB 0.192 38.683 38.460 0.052 0.000 1.130 298 Y HN 0.057 nan 8.280 nan 0.000 0.536 299 K N -0.071 120.419 120.400 0.150 0.000 2.355 299 K HA 0.383 4.703 4.320 -0.000 0.000 0.198 299 K C 0.967 177.627 176.600 0.100 0.000 1.039 299 K CA 0.760 57.114 56.287 0.112 0.000 1.075 299 K CB 0.554 33.103 32.500 0.082 0.000 0.870 299 K HN 0.351 nan 8.250 nan 0.000 0.540 300 G N 1.161 109.990 108.800 0.049 0.000 2.615 300 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.218 300 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.218 300 G C -0.969 173.951 174.900 0.034 0.000 1.339 300 G CA -0.746 44.362 45.100 0.013 0.000 0.884 300 G HN 0.083 nan 8.290 nan 0.000 0.559 301 Y N 0.750 121.110 120.300 0.100 0.000 2.425 301 Y HA 0.550 5.100 4.550 -0.000 0.000 0.331 301 Y C 0.939 176.974 175.900 0.226 0.000 1.157 301 Y CA 1.333 59.485 58.100 0.087 0.000 1.372 301 Y CB 0.712 39.209 38.460 0.062 0.000 1.253 301 Y HN 0.837 nan 8.280 nan 0.000 0.536 302 Y N 0.959 121.412 120.300 0.255 0.000 2.689 302 Y HA 0.608 5.158 4.550 -0.000 0.000 0.333 302 Y C -1.743 174.352 175.900 0.326 0.000 1.208 302 Y CA -2.457 55.790 58.100 0.245 0.000 1.055 302 Y CB 0.958 39.473 38.460 0.091 0.000 1.304 302 Y HN 0.594 nan 8.280 nan 0.000 0.455 303 W N 1.375 122.849 121.300 0.290 0.000 2.781 303 W HA 0.836 5.496 4.660 -0.000 0.000 0.345 303 W C -2.303 174.379 176.519 0.272 0.000 1.085 303 W CA -1.659 55.784 57.345 0.164 0.000 1.198 303 W CB 0.974 30.496 29.460 0.103 0.000 1.423 303 W HN 0.535 nan 8.180 nan 0.000 0.532 304 V N 3.024 123.088 119.914 0.250 0.000 2.417 304 V HA 0.254 4.374 4.120 -0.000 0.000 0.291 304 V C 0.108 176.280 176.094 0.131 0.000 1.024 304 V CA -1.015 61.338 62.300 0.088 0.000 0.861 304 V CB 1.406 33.322 31.823 0.155 0.000 0.985 304 V HN 0.535 nan 8.190 nan 0.000 0.436 305 K N 3.640 123.985 120.400 -0.091 0.000 2.258 305 K HA 0.734 5.054 4.320 -0.000 0.000 0.284 305 K C -0.425 176.240 176.600 0.108 0.000 1.051 305 K CA -0.035 56.300 56.287 0.081 0.000 0.923 305 K CB 0.932 33.388 32.500 -0.073 0.000 1.046 305 K HN 0.920 nan 8.250 nan 0.000 0.474 306 A N 3.529 126.450 122.820 0.169 0.000 2.604 306 A HA 0.250 4.570 4.320 -0.000 0.000 0.295 306 A C -0.499 177.187 177.584 0.170 0.000 1.067 306 A CA -0.783 51.339 52.037 0.142 0.000 0.683 306 A CB 1.223 20.302 19.000 0.130 0.000 1.281 306 A HN 0.809 nan 8.150 nan 0.000 0.407 307 D N 0.386 120.892 120.400 0.177 0.000 2.183 307 D HA 0.269 4.908 4.640 -0.000 0.000 0.203 307 D C 0.814 177.310 176.300 0.327 0.000 0.969 307 D CA 2.054 56.207 54.000 0.255 0.000 0.842 307 D CB 0.277 41.225 40.800 0.248 0.000 0.957 307 D HN 0.851 nan 8.370 nan 0.000 0.484 308 A N 0.037 123.000 122.820 0.238 0.000 2.515 308 A HA 0.576 4.896 4.320 -0.000 0.000 0.298 308 A C -1.136 176.540 177.584 0.153 0.000 1.059 308 A CA -0.542 51.618 52.037 0.206 0.000 0.698 308 A CB 2.103 21.239 19.000 0.228 0.000 1.289 308 A HN -0.098 nan 8.150 nan 0.000 0.404 309 V N 2.634 122.639 119.914 0.152 0.000 2.588 309 V HA 0.458 4.577 4.120 -0.000 0.000 0.304 309 V C -0.658 175.528 176.094 0.153 0.000 1.042 309 V CA -0.227 62.145 62.300 0.119 0.000 0.877 309 V CB 1.658 33.533 31.823 0.088 0.000 0.996 309 V HN 0.730 nan 8.190 nan 0.000 0.425 310 I N 5.703 126.340 120.570 0.112 0.000 2.354 310 I HA 0.387 4.557 4.170 -0.000 0.000 0.286 310 I C -0.472 175.692 176.117 0.078 0.000 1.007 310 I CA -0.394 60.978 61.300 0.119 0.000 1.167 310 I CB 1.387 39.424 38.000 0.061 0.000 1.320 310 I HN 0.344 nan 8.210 nan 0.000 0.458 311 L N 6.554 127.823 121.223 0.078 0.000 2.278 311 L HA 0.450 4.789 4.340 -0.000 0.000 0.287 311 L C 0.674 177.574 176.870 0.051 0.000 1.072 311 L CA -0.103 54.766 54.840 0.049 0.000 0.819 311 L CB 0.970 43.050 42.059 0.034 0.000 1.176 311 L HN 0.727 nan 8.230 nan 0.000 0.435 312 A N 1.380 124.224 122.820 0.040 0.000 3.129 312 A HA 0.280 4.600 4.320 -0.000 0.000 0.282 312 A C 0.903 178.506 177.584 0.033 0.000 0.948 312 A CA -0.264 51.799 52.037 0.045 0.000 1.027 312 A CB -0.174 18.857 19.000 0.051 0.000 1.123 312 A HN 0.727 nan 8.150 nan 0.000 0.485 313 T N -3.196 111.375 114.554 0.028 0.000 3.086 313 T HA 0.469 4.819 4.350 -0.000 0.000 0.250 313 T C 1.180 175.895 174.700 0.025 0.000 1.074 313 T CA 0.763 62.877 62.100 0.023 0.000 0.988 313 T CB -0.143 68.737 68.868 0.022 0.000 0.988 313 T HN 1.979 nan 8.240 nan 0.000 0.530 314 G N 0.306 109.118 108.800 0.021 0.000 2.693 314 G HA2 0.207 4.167 3.960 -0.000 0.000 0.226 314 G HA3 0.207 4.167 3.960 -0.000 0.000 0.226 314 G C 0.118 175.011 174.900 -0.011 0.000 1.354 314 G CA -0.544 44.556 45.100 -0.001 0.000 0.873 314 G HN 0.905 nan 8.290 nan 0.000 0.562 315 G N -1.802 106.958 108.800 -0.068 0.000 2.531 315 G HA2 0.747 4.707 3.960 -0.000 0.000 0.281 315 G HA3 0.747 4.707 3.960 -0.000 0.000 0.281 315 G C 0.354 175.272 174.900 0.030 0.000 1.382 315 G CA 0.306 45.346 45.100 -0.099 0.000 1.045 315 G HN 1.711 nan 8.290 nan 0.000 0.533 316 F N -2.306 117.594 119.950 -0.084 0.000 2.735 316 F HA 0.607 5.134 4.527 -0.000 0.000 0.308 316 F C 1.625 177.403 175.800 -0.036 0.000 1.112 316 F CA -0.145 57.826 58.000 -0.048 0.000 1.235 316 F CB 0.161 39.137 39.000 -0.040 0.000 1.027 316 F HN 0.368 nan 8.300 nan 0.000 0.528 317 A N 0.817 123.487 122.820 -0.250 0.000 2.067 317 A HA -0.125 4.195 4.320 -0.000 0.000 0.219 317 A C 2.194 179.757 177.584 -0.036 0.000 1.158 317 A CA 1.493 53.410 52.037 -0.200 0.000 0.661 317 A CB -0.414 18.473 19.000 -0.189 0.000 0.801 317 A HN 0.330 nan 8.150 nan 0.000 0.452 318 K N 0.737 121.144 120.400 0.011 0.000 2.217 318 K HA -0.068 4.251 4.320 -0.000 0.000 0.202 318 K C 0.613 177.256 176.600 0.072 0.000 1.051 318 K CA 0.703 57.018 56.287 0.046 0.000 0.952 318 K CB -0.212 32.319 32.500 0.052 0.000 0.736 318 K HN 0.388 nan 8.250 nan 0.000 0.453 319 N N 1.367 120.132 118.700 0.109 0.000 2.663 319 N HA -0.017 4.723 4.740 -0.000 0.000 0.250 319 N C 0.041 175.624 175.510 0.123 0.000 1.129 319 N CA 0.121 53.243 53.050 0.122 0.000 0.995 319 N CB -0.334 38.247 38.487 0.157 0.000 1.324 319 N HN 0.248 nan 8.380 nan 0.000 0.512 320 N N 1.834 120.584 118.700 0.084 0.000 2.309 320 N HA -0.137 4.602 4.740 -0.000 0.000 0.182 320 N C 0.327 175.875 175.510 0.063 0.000 1.018 320 N CA 0.934 54.028 53.050 0.073 0.000 0.876 320 N CB 0.526 39.054 38.487 0.068 0.000 0.972 320 N HN 0.435 nan 8.380 nan 0.000 0.434 321 E N 0.740 120.972 120.200 0.054 0.000 2.047 321 E HA -0.117 4.233 4.350 -0.000 0.000 0.191 321 E C 2.007 178.626 176.600 0.032 0.000 0.987 321 E CA 0.900 57.320 56.400 0.033 0.000 0.799 321 E CB -0.216 29.497 29.700 0.021 0.000 0.752 321 E HN 0.279 nan 8.360 nan 0.000 0.449 322 R N 0.262 120.791 120.500 0.048 0.000 2.075 322 R HA -0.080 4.260 4.340 -0.000 0.000 0.232 322 R C 2.097 178.466 176.300 0.114 0.000 1.126 322 R CA 1.031 57.145 56.100 0.024 0.000 0.963 322 R CB -0.238 30.040 30.300 -0.037 0.000 0.858 322 R HN 0.062 nan 8.270 nan 0.000 0.435 323 V N 1.122 121.166 119.914 0.217 0.000 2.287 323 V HA -0.282 3.837 4.120 -0.000 0.000 0.248 323 V C 2.440 178.576 176.094 0.070 0.000 1.053 323 V CA 2.118 64.535 62.300 0.196 0.000 1.027 323 V CB -0.763 31.117 31.823 0.095 0.000 0.646 323 V HN 0.575 nan 8.190 nan 0.000 0.447 324 A N -0.702 122.139 122.820 0.034 0.000 1.969 324 A HA -0.207 4.113 4.320 -0.000 0.000 0.218 324 A C 2.247 179.828 177.584 -0.006 0.000 1.169 324 A CA 1.720 53.755 52.037 -0.002 0.000 0.635 324 A CB -0.409 18.593 19.000 0.003 0.000 0.810 324 A HN 0.569 nan 8.150 nan 0.000 0.445 325 K N -0.566 119.834 120.400 0.000 0.000 2.147 325 K HA 0.010 4.330 4.320 -0.000 0.000 0.205 325 K C 1.620 178.207 176.600 -0.022 0.000 1.049 325 K CA 1.165 57.442 56.287 -0.016 0.000 0.936 325 K CB -0.240 32.245 32.500 -0.026 0.000 0.722 325 K HN 0.465 nan 8.250 nan 0.000 0.446 326 L N -0.103 121.117 121.223 -0.005 0.000 2.202 326 L HA 0.002 4.342 4.340 -0.000 0.000 0.205 326 L C 0.510 177.359 176.870 -0.035 0.000 1.083 326 L CA 0.486 55.317 54.840 -0.014 0.000 0.790 326 L CB 0.324 42.409 42.059 0.044 0.000 0.942 326 L HN 0.064 nan 8.230 nan 0.000 0.452 327 D N -1.147 119.235 120.400 -0.030 0.000 2.364 327 D HA 0.183 4.823 4.640 -0.000 0.000 0.251 327 D C -2.061 174.196 176.300 -0.072 0.000 1.282 327 D CA -1.784 52.181 54.000 -0.058 0.000 0.927 327 D CB 1.412 42.172 40.800 -0.067 0.000 1.267 327 D HN -0.201 nan 8.370 nan 0.000 0.531 328 P HA -0.133 nan 4.420 nan 0.000 0.221 328 P C 1.376 178.630 177.300 -0.076 0.000 1.145 328 P CA 0.897 63.966 63.100 -0.051 0.000 0.795 328 P CB 0.157 31.838 31.700 -0.031 0.000 0.775 329 S N -1.123 114.515 115.700 -0.104 0.000 2.469 329 S HA -0.069 4.401 4.470 -0.000 0.000 0.238 329 S C 1.507 175.890 174.600 -0.362 0.000 0.998 329 S CA 0.849 58.965 58.200 -0.140 0.000 0.957 329 S CB -1.289 61.845 63.200 -0.111 0.000 0.764 329 S HN 0.154 nan 8.310 nan 0.000 0.514 330 L N 0.283 121.251 121.223 -0.425 0.000 2.640 330 L HA 0.336 4.676 4.340 -0.000 0.000 0.230 330 L C 0.957 177.622 176.870 -0.342 0.000 1.123 330 L CA -0.260 54.130 54.840 -0.751 0.000 0.900 330 L CB -0.084 41.673 42.059 -0.502 0.000 1.146 330 L HN 0.183 nan 8.230 nan 0.000 0.484 331 K N 1.135 121.467 120.400 -0.113 0.000 2.451 331 K HA 0.160 4.480 4.320 -0.000 0.000 0.280 331 K C 1.183 177.884 176.600 0.168 0.000 1.020 331 K CA 0.984 57.288 56.287 0.029 0.000 1.008 331 K CB 0.401 32.917 32.500 0.027 0.000 0.917 331 K HN 0.222 nan 8.250 nan 0.000 0.478 332 G N 3.477 112.373 108.800 0.161 0.000 2.179 332 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.260 332 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.260 332 G C -0.127 174.923 174.900 0.250 0.000 0.977 332 G CA -0.074 45.130 45.100 0.174 0.000 0.641 332 G HN 0.502 nan 8.290 nan 0.000 0.533 333 F N 1.607 121.557 119.950 0.000 0.000 2.450 333 F HA 0.528 5.055 4.527 -0.000 0.000 0.339 333 F C 1.701 177.498 175.800 -0.005 0.000 1.146 333 F CA -1.143 56.855 58.000 -0.004 0.000 1.267 333 F CB 0.404 39.405 39.000 0.001 0.000 1.178 333 F HN 0.342 nan 8.300 nan 0.000 0.585 334 I N -0.419 120.215 120.570 0.107 0.000 2.882 334 I HA 0.382 4.551 4.170 -0.000 0.000 0.286 334 I C 0.227 176.400 176.117 0.093 0.000 1.139 334 I CA -0.245 61.087 61.300 0.054 0.000 1.379 334 I CB 0.933 38.919 38.000 -0.022 0.000 1.410 334 I HN 0.396 nan 8.210 nan 0.000 0.594 335 S N 0.917 116.650 115.700 0.055 0.000 2.578 335 S HA 0.406 4.876 4.470 -0.000 0.000 0.301 335 S C 0.838 175.458 174.600 0.034 0.000 1.091 335 S CA -0.164 58.072 58.200 0.060 0.000 1.032 335 S CB 1.513 64.739 63.200 0.043 0.000 1.064 335 S HN 0.848 nan 8.310 nan 0.000 0.508 336 T N 0.520 115.117 114.554 0.071 0.000 3.129 336 T HA 0.196 4.546 4.350 -0.000 0.000 0.251 336 T C 0.512 175.240 174.700 0.047 0.000 1.117 336 T CA 0.152 62.289 62.100 0.063 0.000 1.034 336 T CB -0.556 68.426 68.868 0.190 0.000 0.968 336 T HN 0.509 nan 8.240 nan 0.000 0.526 337 N N 2.109 120.829 118.700 0.032 0.000 2.495 337 N HA 0.290 5.030 4.740 -0.000 0.000 0.280 337 N C -0.183 175.334 175.510 0.013 0.000 1.168 337 N CA -0.764 52.298 53.050 0.019 0.000 0.978 337 N CB 0.950 39.440 38.487 0.004 0.000 1.191 337 N HN 0.455 nan 8.380 nan 0.000 0.497 338 Q N 1.010 120.828 119.800 0.031 0.000 2.432 338 Q HA 0.135 4.475 4.340 -0.000 0.000 0.264 338 Q C -2.059 173.969 176.000 0.047 0.000 1.035 338 Q CA -0.702 55.130 55.803 0.049 0.000 0.908 338 Q CB 0.267 29.058 28.738 0.088 0.000 1.280 338 Q HN 0.334 nan 8.270 nan 0.000 0.455 339 P HA -0.083 nan 4.420 nan 0.000 0.223 339 P C 0.679 178.059 177.300 0.132 0.000 1.151 339 P CA 1.547 64.704 63.100 0.095 0.000 0.787 339 P CB 0.013 31.809 31.700 0.160 0.000 0.788 340 G N 0.086 108.968 108.800 0.137 0.000 2.813 340 G HA2 0.119 4.079 3.960 -0.000 0.000 0.209 340 G HA3 0.119 4.079 3.960 -0.000 0.000 0.209 340 G C 0.948 175.898 174.900 0.083 0.000 1.150 340 G CA 0.247 45.417 45.100 0.117 0.000 0.785 340 G HN 0.382 nan 8.290 nan 0.000 0.535 341 A N 1.052 123.915 122.820 0.071 0.000 3.063 341 A HA 0.469 4.789 4.320 -0.000 0.000 0.263 341 A C 1.234 178.867 177.584 0.081 0.000 1.736 341 A CA 0.195 52.265 52.037 0.056 0.000 1.408 341 A CB -0.449 18.564 19.000 0.022 0.000 1.108 341 A HN 0.792 nan 8.150 nan 0.000 0.621 342 V N -1.813 118.158 119.914 0.095 0.000 3.477 342 V HA 0.570 4.690 4.120 -0.000 0.000 0.297 342 V C 1.028 177.194 176.094 0.120 0.000 1.433 342 V CA 0.480 62.848 62.300 0.114 0.000 1.052 342 V CB -0.569 31.299 31.823 0.075 0.000 0.895 342 V HN 1.619 nan 8.190 nan 0.000 0.438 343 G N 2.029 110.901 108.800 0.121 0.000 2.141 343 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.231 343 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.231 343 G C 0.495 175.396 174.900 0.001 0.000 0.984 343 G CA 0.541 45.687 45.100 0.077 0.000 0.660 343 G HN 0.705 nan 8.290 nan 0.000 0.525 344 D N 0.644 121.051 120.400 0.012 0.000 2.178 344 D HA -0.058 4.582 4.640 -0.000 0.000 0.201 344 D C 2.256 178.553 176.300 -0.004 0.000 0.980 344 D CA 1.738 55.736 54.000 -0.003 0.000 0.842 344 D CB -1.161 39.641 40.800 0.004 0.000 0.948 344 D HN 0.717 nan 8.370 nan 0.000 0.472 345 G N 1.116 109.921 108.800 0.008 0.000 2.442 345 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.219 345 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.219 345 G C 1.964 176.862 174.900 -0.003 0.000 1.141 345 G CA 0.728 45.832 45.100 0.007 0.000 0.763 345 G HN 0.320 nan 8.290 nan 0.000 0.554 346 L N 0.399 121.616 121.223 -0.010 0.000 2.083 346 L HA -0.059 4.281 4.340 -0.000 0.000 0.209 346 L C 2.477 179.318 176.870 -0.049 0.000 1.083 346 L CA 1.081 55.901 54.840 -0.033 0.000 0.752 346 L CB -0.355 41.666 42.059 -0.064 0.000 0.899 346 L HN 0.091 nan 8.230 nan 0.000 0.433 347 D N -0.247 120.122 120.400 -0.052 0.000 2.117 347 D HA -0.145 4.495 4.640 -0.000 0.000 0.197 347 D C 2.349 178.628 176.300 -0.035 0.000 0.987 347 D CA 1.082 55.052 54.000 -0.050 0.000 0.829 347 D CB -0.266 40.506 40.800 -0.047 0.000 0.961 347 D HN 0.081 nan 8.370 nan 0.000 0.460 348 V N 1.401 121.301 119.914 -0.023 0.000 2.332 348 V HA -0.245 3.874 4.120 -0.000 0.000 0.248 348 V C 2.507 178.590 176.094 -0.019 0.000 1.055 348 V CA 1.838 64.129 62.300 -0.016 0.000 1.038 348 V CB -0.824 30.996 31.823 -0.005 0.000 0.651 348 V HN 0.192 nan 8.190 nan 0.000 0.450 349 A N -0.578 122.230 122.820 -0.021 0.000 1.898 349 A HA -0.218 4.102 4.320 -0.000 0.000 0.216 349 A C 2.213 179.777 177.584 -0.033 0.000 1.181 349 A CA 1.755 53.778 52.037 -0.024 0.000 0.620 349 A CB -0.427 18.559 19.000 -0.022 0.000 0.819 349 A HN 0.605 nan 8.150 nan 0.000 0.442 350 E N -0.119 120.058 120.200 -0.038 0.000 2.106 350 E HA -0.155 4.195 4.350 -0.000 0.000 0.192 350 E C 1.568 178.146 176.600 -0.038 0.000 0.984 350 E CA 0.965 57.340 56.400 -0.042 0.000 0.806 350 E CB -0.202 29.468 29.700 -0.050 0.000 0.750 350 E HN 0.522 nan 8.360 nan 0.000 0.458 351 N N 0.834 119.512 118.700 -0.036 0.000 2.289 351 N HA -0.115 4.625 4.740 -0.000 0.000 0.184 351 N C 1.389 176.879 175.510 -0.033 0.000 1.016 351 N CA 1.061 54.090 53.050 -0.034 0.000 0.872 351 N CB -0.136 38.332 38.487 -0.031 0.000 0.973 351 N HN 0.096 nan 8.380 nan 0.000 0.433 352 A N -0.518 122.284 122.820 -0.031 0.000 2.238 352 A HA 0.433 4.753 4.320 -0.000 0.000 0.208 352 A C 1.527 179.090 177.584 -0.035 0.000 1.177 352 A CA 0.894 52.912 52.037 -0.031 0.000 0.804 352 A CB -0.191 18.792 19.000 -0.027 0.000 0.823 352 A HN 0.328 nan 8.150 nan 0.000 0.482 353 G N -2.001 106.777 108.800 -0.036 0.000 2.201 353 G HA2 -0.022 3.937 3.960 -0.000 0.000 0.212 353 G HA3 -0.022 3.937 3.960 -0.000 0.000 0.212 353 G C 0.707 175.583 174.900 -0.040 0.000 0.994 353 G CA 0.041 45.119 45.100 -0.037 0.000 0.644 353 G HN 1.381 nan 8.290 nan 0.000 0.508 354 G N 0.578 109.353 108.800 -0.042 0.000 2.398 354 G HA2 0.645 4.605 3.960 -0.000 0.000 0.246 354 G HA3 0.645 4.605 3.960 -0.000 0.000 0.246 354 G C 0.485 175.362 174.900 -0.039 0.000 1.289 354 G CA 0.972 46.047 45.100 -0.043 0.000 0.869 354 G HN 1.513 nan 8.290 nan 0.000 0.543 355 A N 1.956 124.754 122.820 -0.036 0.000 2.302 355 A HA 0.738 5.058 4.320 -0.000 0.000 0.285 355 A C 0.218 177.785 177.584 -0.029 0.000 1.105 355 A CA -0.538 51.480 52.037 -0.031 0.000 0.816 355 A CB 0.669 19.653 19.000 -0.027 0.000 1.067 355 A HN 0.679 nan 8.150 nan 0.000 0.489 356 L N 0.858 122.065 121.223 -0.028 0.000 2.334 356 L HA 0.679 5.019 4.340 -0.000 0.000 0.270 356 L C 0.181 177.046 176.870 -0.007 0.000 1.018 356 L CA -0.782 54.046 54.840 -0.019 0.000 0.811 356 L CB 1.694 43.734 42.059 -0.031 0.000 1.271 356 L HN 0.952 nan 8.230 nan 0.000 0.443 357 K N -1.083 119.324 120.400 0.012 0.000 2.536 357 K HA 0.440 4.760 4.320 -0.000 0.000 0.269 357 K C -1.037 175.604 176.600 0.069 0.000 0.965 357 K CA -0.785 55.520 56.287 0.030 0.000 0.860 357 K CB 2.009 34.527 32.500 0.029 0.000 1.423 357 K HN 0.407 nan 8.250 nan 0.000 0.438 358 D N 0.626 121.087 120.400 0.101 0.000 3.012 358 D HA -0.161 4.479 4.640 -0.000 0.000 0.222 358 D C 0.777 177.160 176.300 0.138 0.000 1.167 358 D CA 1.052 55.180 54.000 0.213 0.000 0.854 358 D CB -0.563 40.420 40.800 0.306 0.000 1.107 358 D HN 0.622 nan 8.370 nan 0.000 0.421 359 M N -0.222 119.407 119.600 0.048 0.000 2.279 359 M HA -0.152 4.327 4.480 -0.000 0.000 0.264 359 M C 2.276 178.604 176.300 0.046 0.000 1.062 359 M CA 1.461 56.815 55.300 0.089 0.000 1.099 359 M CB -0.615 32.002 32.600 0.030 0.000 1.394 359 M HN 0.359 nan 8.290 nan 0.000 0.426 360 Q N -0.117 119.585 119.800 -0.165 0.000 2.436 360 Q HA -0.125 4.215 4.340 -0.000 0.000 0.209 360 Q C -0.554 175.282 176.000 -0.274 0.000 0.965 360 Q CA 0.834 56.481 55.803 -0.261 0.000 0.910 360 Q CB -0.645 27.852 28.738 -0.402 0.000 0.980 360 Q HN 0.387 nan 8.270 nan 0.000 0.491 361 Y N 1.173 121.499 120.300 0.043 0.000 2.518 361 Y HA 0.483 5.033 4.550 -0.000 0.000 0.344 361 Y C -0.032 175.874 175.900 0.010 0.000 0.982 361 Y CA -0.897 57.218 58.100 0.024 0.000 1.234 361 Y CB 0.597 39.075 38.460 0.030 0.000 1.114 361 Y HN -0.038 nan 8.280 nan 0.000 0.515 362 I N 3.034 123.669 120.570 0.108 0.000 2.466 362 I HA 0.272 4.442 4.170 -0.000 0.000 0.289 362 I C -0.559 175.575 176.117 0.029 0.000 1.026 362 I CA -0.976 60.329 61.300 0.008 0.000 1.078 362 I CB 2.159 40.119 38.000 -0.066 0.000 1.249 362 I HN 0.435 nan 8.210 nan 0.000 0.429 363 Q N 5.114 124.945 119.800 0.052 0.000 2.274 363 Q HA 0.665 5.005 4.340 -0.000 0.000 0.256 363 Q C -0.757 175.302 176.000 0.099 0.000 0.927 363 Q CA -0.617 55.233 55.803 0.079 0.000 0.939 363 Q CB 1.663 30.471 28.738 0.117 0.000 1.201 363 Q HN 0.784 nan 8.270 nan 0.000 0.426 364 A N 4.360 127.223 122.820 0.072 0.000 2.289 364 A HA 0.207 4.526 4.320 -0.000 0.000 0.298 364 A C -0.819 176.821 177.584 0.094 0.000 1.208 364 A CA -0.521 51.585 52.037 0.115 0.000 0.845 364 A CB 0.465 19.536 19.000 0.119 0.000 1.125 364 A HN 0.874 nan 8.150 nan 0.000 0.517 365 H N 4.691 123.747 119.070 -0.024 0.000 2.803 365 H HA 0.159 4.715 4.556 -0.000 0.000 0.330 365 H C -1.744 173.528 175.328 -0.093 0.000 1.057 365 H CA -1.447 54.490 56.048 -0.185 0.000 1.458 365 H CB 1.515 30.983 29.762 -0.489 0.000 1.470 365 H HN 0.376 nan 8.280 nan 0.000 0.560 366 P HA -0.051 nan 4.420 nan 0.000 0.223 366 P C 0.241 177.593 177.300 0.088 0.000 1.151 366 P CA 0.867 63.979 63.100 0.020 0.000 0.787 366 P CB 0.222 31.884 31.700 -0.064 0.000 0.788 367 T N -2.258 112.444 114.554 0.246 0.000 3.327 367 T HA 0.525 4.875 4.350 -0.000 0.000 0.373 367 T C -0.392 174.271 174.700 -0.063 0.000 1.589 367 T CA -0.798 61.345 62.100 0.071 0.000 1.497 367 T CB -0.497 68.393 68.868 0.037 0.000 1.032 367 T HN -0.301 nan 8.240 nan 0.000 0.640 368 L N 2.240 123.407 121.223 -0.094 0.000 2.334 368 L HA 0.570 4.910 4.340 -0.000 0.000 0.277 368 L C 0.884 177.666 176.870 -0.148 0.000 1.075 368 L CA -0.228 54.520 54.840 -0.153 0.000 0.804 368 L CB 1.607 43.595 42.059 -0.119 0.000 1.174 368 L HN 0.681 nan 8.230 nan 0.000 0.438 369 S N 1.463 117.070 115.700 -0.155 0.000 2.498 369 S HA 0.105 4.575 4.470 -0.000 0.000 0.281 369 S C 1.328 175.856 174.600 -0.120 0.000 1.265 369 S CA -0.605 57.514 58.200 -0.135 0.000 1.071 369 S CB 0.493 63.629 63.200 -0.106 0.000 0.894 369 S HN 0.406 nan 8.310 nan 0.000 0.491 370 V N 6.437 126.271 119.914 -0.134 0.000 2.343 370 V HA -0.139 3.981 4.120 -0.000 0.000 0.247 370 V C 2.579 178.615 176.094 -0.097 0.000 1.051 370 V CA 2.222 64.446 62.300 -0.128 0.000 1.036 370 V CB -0.687 31.045 31.823 -0.151 0.000 0.654 370 V HN 0.932 nan 8.190 nan 0.000 0.451 371 K N -0.032 120.320 120.400 -0.079 0.000 2.025 371 K HA -0.107 4.213 4.320 -0.000 0.000 0.207 371 K C 1.937 178.499 176.600 -0.063 0.000 1.049 371 K CA 1.607 57.858 56.287 -0.059 0.000 0.933 371 K CB -0.385 32.094 32.500 -0.034 0.000 0.714 371 K HN 0.511 nan 8.250 nan 0.000 0.438 372 G N -1.428 107.339 108.800 -0.054 0.000 2.986 372 G HA2 0.163 4.123 3.960 -0.000 0.000 0.213 372 G HA3 0.163 4.123 3.960 -0.000 0.000 0.213 372 G C 0.890 175.748 174.900 -0.069 0.000 1.156 372 G CA 0.477 45.549 45.100 -0.047 0.000 0.763 372 G HN 0.533 nan 8.290 nan 0.000 0.547 373 G N -0.658 108.091 108.800 -0.085 0.000 2.328 373 G HA2 -0.245 3.714 3.960 -0.000 0.000 0.256 373 G HA3 -0.245 3.714 3.960 -0.000 0.000 0.256 373 G C 0.721 175.563 174.900 -0.097 0.000 1.014 373 G CA 1.028 46.069 45.100 -0.099 0.000 0.620 373 G HN 1.490 nan 8.290 nan 0.000 0.530 374 V N -1.151 118.717 119.914 -0.078 0.000 2.904 374 V HA 0.777 4.897 4.120 -0.000 0.000 0.305 374 V C 1.120 177.154 176.094 -0.100 0.000 1.067 374 V CA -0.299 61.961 62.300 -0.066 0.000 1.044 374 V CB 1.592 33.421 31.823 0.011 0.000 1.050 374 V HN 0.622 nan 8.190 nan 0.000 0.475 375 M N 3.049 122.573 119.600 -0.128 0.000 2.251 375 M HA 0.288 4.768 4.480 -0.000 0.000 0.343 375 M C -0.801 175.370 176.300 -0.216 0.000 1.245 375 M CA 0.353 55.488 55.300 -0.275 0.000 1.061 375 M CB 0.624 33.033 32.600 -0.318 0.000 1.723 375 M HN 0.682 nan 8.290 nan 0.000 0.449 376 V N 5.066 124.768 119.914 -0.352 0.000 2.370 376 V HA 0.205 4.325 4.120 -0.000 0.000 0.283 376 V C 0.425 176.385 176.094 -0.224 0.000 1.023 376 V CA -0.669 61.335 62.300 -0.493 0.000 0.857 376 V CB 1.354 32.805 31.823 -0.620 0.000 0.985 376 V HN 0.936 nan 8.190 nan 0.000 0.443 377 T N 2.602 117.141 114.554 -0.025 0.000 2.940 377 T HA -0.003 4.347 4.350 -0.000 0.000 0.309 377 T C 1.231 175.969 174.700 0.065 0.000 1.056 377 T CA 0.341 62.491 62.100 0.083 0.000 1.137 377 T CB 0.553 69.506 68.868 0.142 0.000 0.976 377 T HN 0.951 nan 8.240 nan 0.000 0.547 378 E N 2.905 123.176 120.200 0.118 0.000 2.267 378 E HA -0.118 4.232 4.350 -0.000 0.000 0.197 378 E C 2.058 178.656 176.600 -0.004 0.000 0.998 378 E CA 1.101 57.515 56.400 0.024 0.000 0.830 378 E CB -0.344 29.337 29.700 -0.031 0.000 0.751 378 E HN 0.803 nan 8.360 nan 0.000 0.491 379 A N 0.090 122.918 122.820 0.014 0.000 2.070 379 A HA -0.119 4.201 4.320 -0.000 0.000 0.220 379 A C 2.265 179.821 177.584 -0.047 0.000 1.159 379 A CA 1.127 53.159 52.037 -0.008 0.000 0.656 379 A CB -0.377 18.627 19.000 0.007 0.000 0.800 379 A HN 0.222 nan 8.150 nan 0.000 0.453 380 V N -0.050 119.822 119.914 -0.070 0.000 2.332 380 V HA -0.298 3.822 4.120 -0.000 0.000 0.248 380 V C 2.636 178.655 176.094 -0.126 0.000 1.055 380 V CA 2.372 64.572 62.300 -0.166 0.000 1.038 380 V CB -0.780 30.910 31.823 -0.222 0.000 0.651 380 V HN 0.563 nan 8.190 nan 0.000 0.450 381 R N 0.108 120.563 120.500 -0.075 0.000 2.075 381 R HA -0.050 4.289 4.340 -0.000 0.000 0.232 381 R C 2.514 178.792 176.300 -0.036 0.000 1.126 381 R CA 1.356 57.422 56.100 -0.055 0.000 0.963 381 R CB -0.846 29.417 30.300 -0.063 0.000 0.858 381 R HN 0.578 nan 8.270 nan 0.000 0.435 382 G N 0.827 109.607 108.800 -0.034 0.000 2.432 382 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.219 382 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.219 382 G C 1.065 175.958 174.900 -0.011 0.000 1.135 382 G CA 0.721 45.810 45.100 -0.018 0.000 0.767 382 G HN 0.253 nan 8.290 nan 0.000 0.550 383 N N -0.054 118.630 118.700 -0.027 0.000 2.398 383 N HA 0.282 5.022 4.740 -0.000 0.000 0.188 383 N C 1.416 176.927 175.510 0.001 0.000 1.122 383 N CA 0.954 53.990 53.050 -0.022 0.000 0.866 383 N CB 0.563 39.020 38.487 -0.050 0.000 0.970 383 N HN 0.408 nan 8.380 nan 0.000 0.462 384 G N -1.742 107.067 108.800 0.015 0.000 2.672 384 G HA2 -0.063 3.897 3.960 -0.000 0.000 0.197 384 G HA3 -0.063 3.897 3.960 -0.000 0.000 0.197 384 G C 0.193 175.140 174.900 0.078 0.000 0.995 384 G CA -0.162 44.983 45.100 0.076 0.000 0.754 384 G HN 0.454 nan 8.290 nan 0.000 0.505 385 A N 0.850 123.689 122.820 0.032 0.000 2.466 385 A HA 0.633 4.953 4.320 -0.000 0.000 0.238 385 A C 0.805 178.357 177.584 -0.053 0.000 1.074 385 A CA 0.650 52.727 52.037 0.067 0.000 0.774 385 A CB -0.071 18.985 19.000 0.095 0.000 1.015 385 A HN 1.551 nan 8.150 nan 0.000 0.498 386 I N -1.201 119.303 120.570 -0.110 0.000 3.076 386 I HA 0.753 4.923 4.170 -0.000 0.000 0.313 386 I C -0.763 175.267 176.117 -0.144 0.000 1.053 386 I CA -1.088 60.058 61.300 -0.257 0.000 1.048 386 I CB 1.373 39.071 38.000 -0.503 0.000 1.264 386 I HN 0.464 nan 8.210 nan 0.000 0.498 387 L N 3.493 124.574 121.223 -0.237 0.000 2.329 387 L HA 0.698 5.038 4.340 -0.000 0.000 0.279 387 L C -0.402 176.410 176.870 -0.097 0.000 1.014 387 L CA -0.942 53.807 54.840 -0.152 0.000 0.814 387 L CB 1.902 43.774 42.059 -0.312 0.000 1.257 387 L HN 0.618 nan 8.230 nan 0.000 0.424 388 V N -0.509 119.509 119.914 0.174 0.000 2.914 388 V HA 0.668 4.788 4.120 -0.000 0.000 0.314 388 V C -0.611 175.733 176.094 0.416 0.000 1.084 388 V CA -0.821 61.643 62.300 0.274 0.000 0.963 388 V CB 1.870 33.763 31.823 0.116 0.000 1.025 388 V HN 0.858 nan 8.190 nan 0.000 0.432 389 N N 2.584 121.460 118.700 0.293 0.000 2.476 389 N HA 0.411 5.151 4.740 -0.000 0.000 0.287 389 N C 0.636 176.201 175.510 0.092 0.000 1.262 389 N CA -0.691 52.400 53.050 0.069 0.000 0.980 389 N CB 0.286 38.671 38.487 -0.170 0.000 1.163 389 N HN 0.643 nan 8.380 nan 0.000 0.592 390 R N -1.008 119.524 120.500 0.053 0.000 2.189 390 R HA -0.035 4.305 4.340 -0.000 0.000 0.223 390 R C 0.465 176.754 176.300 -0.017 0.000 1.092 390 R CA 1.027 57.144 56.100 0.028 0.000 0.989 390 R CB -0.182 30.138 30.300 0.033 0.000 0.876 390 R HN 0.628 nan 8.270 nan 0.000 0.457 391 E N -0.625 119.571 120.200 -0.006 0.000 2.511 391 E HA 0.051 4.401 4.350 -0.000 0.000 0.196 391 E C 0.889 177.490 176.600 0.002 0.000 1.066 391 E CA 0.611 57.008 56.400 -0.004 0.000 0.871 391 E CB 0.369 30.073 29.700 0.006 0.000 0.863 391 E HN 0.445 nan 8.360 nan 0.000 0.520 392 G N 0.715 109.517 108.800 0.003 0.000 2.147 392 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.244 392 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.244 392 G C -0.026 174.897 174.900 0.038 0.000 1.005 392 G CA 0.122 45.220 45.100 -0.004 0.000 0.713 392 G HN 0.060 nan 8.290 nan 0.000 0.515 393 K N -0.080 120.373 120.400 0.088 0.000 2.267 393 K HA 0.497 4.817 4.320 -0.000 0.000 0.246 393 K C 0.742 177.452 176.600 0.183 0.000 0.954 393 K CA -0.961 55.404 56.287 0.130 0.000 0.824 393 K CB 1.614 34.205 32.500 0.151 0.000 1.167 393 K HN 0.263 nan 8.250 nan 0.000 0.431 394 R N 0.878 121.459 120.500 0.134 0.000 2.694 394 R HA 0.104 4.444 4.340 -0.000 0.000 0.268 394 R C 0.601 176.861 176.300 -0.066 0.000 1.061 394 R CA 0.380 56.455 56.100 -0.042 0.000 1.133 394 R CB 0.138 30.421 30.300 -0.028 0.000 1.020 394 R HN 0.692 nan 8.270 nan 0.000 0.475 395 F N -1.737 117.833 119.950 -0.634 0.000 3.031 395 F HA 0.414 4.941 4.527 -0.000 0.000 0.365 395 F C -0.640 174.552 175.800 -1.013 0.000 1.128 395 F CA -0.592 57.012 58.000 -0.661 0.000 1.068 395 F CB 0.573 39.444 39.000 -0.216 0.000 1.280 395 F HN 0.213 nan 8.300 nan 0.000 0.529 396 V N 1.506 120.433 119.914 -1.646 0.000 3.147 396 V HA 0.388 4.508 4.120 -0.000 0.000 0.299 396 V C -1.370 174.320 176.094 -0.672 0.000 1.302 396 V CA -0.963 60.789 62.300 -0.913 0.000 1.015 396 V CB 1.989 33.480 31.823 -0.554 0.000 1.086 396 V HN 0.268 nan 8.190 nan 0.000 0.437 397 N N 3.039 121.605 118.700 -0.224 0.000 2.427 397 N HA 0.099 4.839 4.740 -0.000 0.000 0.269 397 N C 0.628 176.048 175.510 -0.150 0.000 1.235 397 N CA 0.541 53.545 53.050 -0.078 0.000 0.934 397 N CB 1.267 39.775 38.487 0.034 0.000 1.121 397 N HN 0.681 nan 8.380 nan 0.000 0.480 398 E N 2.497 122.595 120.200 -0.169 0.000 2.418 398 E HA -0.028 4.322 4.350 -0.000 0.000 0.197 398 E C 0.749 177.285 176.600 -0.107 0.000 1.026 398 E CA 0.754 57.048 56.400 -0.178 0.000 0.862 398 E CB -0.151 29.437 29.700 -0.186 0.000 0.799 398 E HN 0.836 nan 8.360 nan 0.000 0.518 399 I N -2.845 117.685 120.570 -0.066 0.000 3.654 399 I HA 0.309 4.479 4.170 -0.000 0.000 0.337 399 I C 0.536 176.627 176.117 -0.042 0.000 1.568 399 I CA -0.442 60.829 61.300 -0.049 0.000 1.115 399 I CB 0.548 38.533 38.000 -0.025 0.000 1.300 399 I HN -0.224 nan 8.210 nan 0.000 0.471 400 T N 1.631 116.155 114.554 -0.050 0.000 2.771 400 T HA 0.294 4.644 4.350 -0.000 0.000 0.290 400 T C 0.843 175.511 174.700 -0.052 0.000 1.005 400 T CA 0.382 62.459 62.100 -0.038 0.000 0.944 400 T CB 0.819 69.669 68.868 -0.028 0.000 1.147 400 T HN 0.582 nan 8.240 nan 0.000 0.534 401 T N 0.210 114.737 114.554 -0.044 0.000 2.813 401 T HA 0.309 4.659 4.350 -0.000 0.000 0.297 401 T C 1.308 175.969 174.700 -0.065 0.000 1.036 401 T CA -0.521 61.546 62.100 -0.055 0.000 1.044 401 T CB 0.471 69.313 68.868 -0.044 0.000 0.993 401 T HN 0.613 nan 8.240 nan 0.000 0.535 402 R N 0.626 121.076 120.500 -0.083 0.000 2.115 402 R HA -0.038 4.302 4.340 -0.000 0.000 0.226 402 R C 2.059 178.328 176.300 -0.051 0.000 1.100 402 R CA 1.369 57.408 56.100 -0.101 0.000 0.980 402 R CB -0.372 29.843 30.300 -0.142 0.000 0.875 402 R HN 0.848 nan 8.270 nan 0.000 0.445 403 D N 1.213 121.595 120.400 -0.030 0.000 2.106 403 D HA -0.217 4.423 4.640 -0.000 0.000 0.191 403 D C 1.384 177.687 176.300 0.005 0.000 0.997 403 D CA 1.481 55.478 54.000 -0.004 0.000 0.834 403 D CB -0.366 40.435 40.800 0.002 0.000 0.956 403 D HN 0.138 nan 8.370 nan 0.000 0.448 404 K N 0.348 120.747 120.400 -0.002 0.000 2.062 404 K HA 0.128 4.447 4.320 -0.000 0.000 0.205 404 K C 2.362 178.970 176.600 0.014 0.000 1.051 404 K CA 1.050 57.343 56.287 0.010 0.000 0.941 404 K CB -0.196 32.307 32.500 0.006 0.000 0.719 404 K HN 0.205 nan 8.250 nan 0.000 0.440 405 A N 1.330 124.143 122.820 -0.012 0.000 1.898 405 A HA -0.137 4.183 4.320 -0.000 0.000 0.216 405 A C 2.249 179.851 177.584 0.031 0.000 1.181 405 A CA 1.740 53.770 52.037 -0.012 0.000 0.620 405 A CB -0.499 18.464 19.000 -0.061 0.000 0.819 405 A HN 0.156 nan 8.150 nan 0.000 0.442 406 S N 0.019 115.733 115.700 0.022 0.000 2.356 406 S HA -0.056 4.414 4.470 -0.000 0.000 0.223 406 S C 2.337 176.980 174.600 0.072 0.000 1.032 406 S CA 1.209 59.442 58.200 0.055 0.000 1.005 406 S CB -0.530 62.710 63.200 0.067 0.000 0.867 406 S HN 0.804 nan 8.310 nan 0.000 0.449 407 A N 1.730 124.587 122.820 0.062 0.000 1.908 407 A HA 0.010 4.330 4.320 -0.000 0.000 0.218 407 A C 2.373 179.995 177.584 0.063 0.000 1.181 407 A CA 1.883 53.956 52.037 0.061 0.000 0.627 407 A CB -1.180 17.850 19.000 0.050 0.000 0.818 407 A HN 0.529 nan 8.150 nan 0.000 0.445 408 A N -0.195 122.681 122.820 0.094 0.000 1.902 408 A HA -0.084 4.236 4.320 -0.000 0.000 0.217 408 A C 2.143 179.796 177.584 0.115 0.000 1.181 408 A CA 1.572 53.703 52.037 0.158 0.000 0.623 408 A CB -0.600 18.549 19.000 0.248 0.000 0.818 408 A HN 0.507 nan 8.150 nan 0.000 0.443 409 I N -0.435 120.222 120.570 0.144 0.000 2.252 409 I HA -0.231 3.939 4.170 -0.000 0.000 0.245 409 I C 2.219 178.278 176.117 -0.097 0.000 1.102 409 I CA 1.025 62.335 61.300 0.016 0.000 1.385 409 I CB -0.302 37.744 38.000 0.077 0.000 1.064 409 I HN 0.263 nan 8.210 nan 0.000 0.414 410 L N 0.525 121.730 121.223 -0.031 0.000 2.265 410 L HA -0.156 4.184 4.340 -0.000 0.000 0.215 410 L C 2.585 179.419 176.870 -0.060 0.000 1.117 410 L CA 0.930 55.748 54.840 -0.037 0.000 0.782 410 L CB -0.556 41.525 42.059 0.036 0.000 0.914 410 L HN 0.236 nan 8.230 nan 0.000 0.441 411 A N -1.475 121.303 122.820 -0.069 0.000 2.167 411 A HA -0.004 4.316 4.320 -0.000 0.000 0.214 411 A C 1.138 178.636 177.584 -0.143 0.000 1.151 411 A CA 0.348 52.339 52.037 -0.076 0.000 0.735 411 A CB -0.071 18.905 19.000 -0.040 0.000 0.802 411 A HN 0.250 nan 8.150 nan 0.000 0.467 412 Q N 0.223 119.875 119.800 -0.247 0.000 2.317 412 Q HA 0.243 4.583 4.340 -0.000 0.000 0.229 412 Q C -0.221 175.666 176.000 -0.187 0.000 0.984 412 Q CA 0.005 55.623 55.803 -0.309 0.000 0.911 412 Q CB -0.144 28.252 28.738 -0.571 0.000 1.217 412 Q HN 0.248 nan 8.270 nan 0.000 0.501 413 T N 1.029 115.492 114.554 -0.152 0.000 2.871 413 T HA 0.253 4.603 4.350 -0.000 0.000 0.296 413 T C 1.120 175.768 174.700 -0.086 0.000 0.998 413 T CA 1.072 63.116 62.100 -0.093 0.000 1.162 413 T CB -0.100 68.728 68.868 -0.067 0.000 0.947 413 T HN 0.780 nan 8.240 nan 0.000 0.536 414 G N 3.365 112.121 108.800 -0.073 0.000 2.184 414 G HA2 -0.365 3.594 3.960 -0.000 0.000 0.264 414 G HA3 -0.365 3.594 3.960 -0.000 0.000 0.264 414 G C 0.455 175.293 174.900 -0.102 0.000 0.975 414 G CA 0.275 45.331 45.100 -0.074 0.000 0.642 414 G HN 0.831 nan 8.290 nan 0.000 0.536 415 K N -1.204 119.126 120.400 -0.116 0.000 3.069 415 K HA -0.210 4.110 4.320 -0.000 0.000 0.267 415 K C 0.520 177.027 176.600 -0.154 0.000 1.082 415 K CA 1.240 57.449 56.287 -0.129 0.000 0.782 415 K CB -2.057 30.371 32.500 -0.120 0.000 1.230 415 K HN 1.851 nan 8.250 nan 0.000 0.488 416 S N -1.946 113.654 115.700 -0.167 0.000 2.625 416 S HA 0.894 5.364 4.470 -0.000 0.000 0.271 416 S C -0.882 173.595 174.600 -0.204 0.000 1.161 416 S CA -0.459 57.624 58.200 -0.195 0.000 0.820 416 S CB 2.774 65.834 63.200 -0.234 0.000 1.137 416 S HN 0.486 nan 8.310 nan 0.000 0.470 417 A N 0.128 122.819 122.820 -0.216 0.000 2.533 417 A HA 0.865 5.185 4.320 -0.000 0.000 0.293 417 A C -2.282 175.148 177.584 -0.257 0.000 1.228 417 A CA -0.828 51.159 52.037 -0.083 0.000 0.689 417 A CB 0.714 19.814 19.000 0.168 0.000 1.303 417 A HN 0.885 nan 8.150 nan 0.000 0.444 418 Y N -0.274 120.068 120.300 0.070 0.000 2.361 418 Y HA 0.523 5.073 4.550 -0.000 0.000 0.337 418 Y C -0.139 175.792 175.900 0.051 0.000 0.965 418 Y CA -0.408 57.715 58.100 0.039 0.000 1.091 418 Y CB 1.745 40.213 38.460 0.014 0.000 1.182 418 Y HN 0.547 nan 8.280 nan 0.000 0.450 419 L N 5.104 126.426 121.223 0.165 0.000 2.455 419 L HA 0.212 4.552 4.340 -0.000 0.000 0.272 419 L C -0.550 176.448 176.870 0.213 0.000 1.174 419 L CA 0.112 55.063 54.840 0.185 0.000 0.869 419 L CB 0.186 42.377 42.059 0.220 0.000 1.130 419 L HN 0.457 nan 8.230 nan 0.000 0.474 420 I N 4.697 125.377 120.570 0.182 0.000 2.436 420 I HA 0.511 4.680 4.170 -0.000 0.000 0.289 420 I C -0.284 175.973 176.117 0.235 0.000 1.010 420 I CA -0.361 60.996 61.300 0.096 0.000 1.098 420 I CB 1.368 39.389 38.000 0.034 0.000 1.266 420 I HN 0.468 nan 8.210 nan 0.000 0.434 421 F N 3.762 123.827 119.950 0.193 0.000 2.779 421 F HA 0.726 5.252 4.527 -0.000 0.000 0.316 421 F C -1.024 174.968 175.800 0.321 0.000 1.164 421 F CA -1.019 57.100 58.000 0.198 0.000 0.924 421 F CB 1.066 40.132 39.000 0.111 0.000 1.348 421 F HN 0.421 nan 8.300 nan 0.000 0.467 422 D N -1.045 119.636 120.400 0.468 0.000 2.650 422 D HA 0.246 4.886 4.640 -0.000 0.000 0.255 422 D C -0.181 176.340 176.300 0.367 0.000 1.135 422 D CA -0.336 53.828 54.000 0.274 0.000 1.099 422 D CB 0.634 41.487 40.800 0.089 0.000 1.273 422 D HN 0.523 nan 8.370 nan 0.000 0.628 423 D N -0.610 119.923 120.400 0.222 0.000 2.224 423 D HA -0.122 4.518 4.640 -0.000 0.000 0.205 423 D C 1.981 178.348 176.300 0.112 0.000 0.965 423 D CA 1.410 55.526 54.000 0.193 0.000 0.852 423 D CB 0.008 40.888 40.800 0.132 0.000 0.947 423 D HN 0.464 nan 8.370 nan 0.000 0.494 424 S N 0.092 115.848 115.700 0.094 0.000 2.368 424 S HA -0.119 4.350 4.470 -0.000 0.000 0.225 424 S C 2.229 176.867 174.600 0.063 0.000 1.030 424 S CA 0.902 59.144 58.200 0.069 0.000 0.999 424 S CB -0.625 62.614 63.200 0.064 0.000 0.844 424 S HN 0.059 nan 8.310 nan 0.000 0.459 425 V N 2.452 122.425 119.914 0.098 0.000 2.358 425 V HA -0.109 4.011 4.120 -0.000 0.000 0.246 425 V C 2.954 179.017 176.094 -0.051 0.000 1.047 425 V CA 2.086 64.405 62.300 0.032 0.000 1.035 425 V CB -0.910 30.951 31.823 0.065 0.000 0.658 425 V HN 0.539 nan 8.190 nan 0.000 0.452 426 R N 0.432 120.933 120.500 0.001 0.000 2.083 426 R HA -0.202 4.138 4.340 -0.000 0.000 0.237 426 R C 2.357 178.621 176.300 -0.060 0.000 1.137 426 R CA 1.862 57.913 56.100 -0.081 0.000 0.951 426 R CB -0.212 30.045 30.300 -0.072 0.000 0.851 426 R HN 0.436 nan 8.270 nan 0.000 0.434 427 K N 0.144 120.536 120.400 -0.013 0.000 2.283 427 K HA -0.074 4.246 4.320 -0.000 0.000 0.202 427 K C 2.007 178.594 176.600 -0.022 0.000 1.048 427 K CA 1.433 57.713 56.287 -0.011 0.000 0.948 427 K CB 0.018 32.524 32.500 0.009 0.000 0.742 427 K HN 0.298 nan 8.250 nan 0.000 0.458 428 S N 0.331 116.015 115.700 -0.027 0.000 2.489 428 S HA -0.053 4.417 4.470 -0.000 0.000 0.228 428 S C 0.633 175.205 174.600 -0.047 0.000 0.995 428 S CA 0.198 58.380 58.200 -0.030 0.000 0.934 428 S CB 0.085 63.272 63.200 -0.023 0.000 0.771 428 S HN 0.156 nan 8.310 nan 0.000 0.522 429 L N 1.969 123.151 121.223 -0.070 0.000 2.529 429 L HA 0.440 4.780 4.340 -0.000 0.000 0.260 429 L C 0.994 177.811 176.870 -0.088 0.000 0.997 429 L CA 0.167 54.961 54.840 -0.077 0.000 0.885 429 L CB 1.349 43.350 42.059 -0.097 0.000 1.185 429 L HN 0.201 nan 8.230 nan 0.000 0.442 430 S N 1.791 117.447 115.700 -0.073 0.000 2.419 430 S HA -0.200 4.270 4.470 -0.000 0.000 0.233 430 S C 1.828 176.360 174.600 -0.113 0.000 1.016 430 S CA 1.238 59.391 58.200 -0.079 0.000 0.974 430 S CB -0.222 62.941 63.200 -0.062 0.000 0.786 430 S HN 0.626 nan 8.310 nan 0.000 0.492 431 K N 1.876 122.202 120.400 -0.124 0.000 2.160 431 K HA 0.021 4.341 4.320 -0.000 0.000 0.206 431 K C 1.678 178.082 176.600 -0.326 0.000 1.047 431 K CA 1.539 57.702 56.287 -0.206 0.000 0.930 431 K CB -0.895 31.523 32.500 -0.136 0.000 0.720 431 K HN 0.589 nan 8.250 nan 0.000 0.450 432 I N 0.925 121.391 120.570 -0.175 0.000 2.335 432 I HA -0.287 3.882 4.170 -0.000 0.000 0.251 432 I C 1.374 177.423 176.117 -0.114 0.000 1.129 432 I CA 1.398 62.642 61.300 -0.093 0.000 1.402 432 I CB -0.368 37.533 38.000 -0.165 0.000 1.069 432 I HN 0.226 nan 8.210 nan 0.000 0.424 433 D N 0.974 121.296 120.400 -0.130 0.000 2.221 433 D HA -0.154 4.485 4.640 -0.000 0.000 0.204 433 D C 2.078 178.314 176.300 -0.107 0.000 0.982 433 D CA 0.913 54.863 54.000 -0.083 0.000 0.857 433 D CB -0.158 40.609 40.800 -0.055 0.000 0.934 433 D HN 0.281 nan 8.370 nan 0.000 0.475 434 K N 0.375 120.629 120.400 -0.244 0.000 2.097 434 K HA -0.116 4.204 4.320 -0.000 0.000 0.205 434 K C 2.110 178.570 176.600 -0.233 0.000 1.050 434 K CA 0.727 56.850 56.287 -0.274 0.000 0.938 434 K CB -0.741 31.515 32.500 -0.406 0.000 0.718 434 K HN 0.337 nan 8.250 nan 0.000 0.442 435 Y N 0.992 121.299 120.300 0.012 0.000 2.242 435 Y HA -0.018 4.532 4.550 -0.000 0.000 0.291 435 Y C 2.289 178.212 175.900 0.039 0.000 1.137 435 Y CA 0.303 58.421 58.100 0.029 0.000 1.181 435 Y CB -0.766 37.717 38.460 0.040 0.000 0.989 435 Y HN -0.076 nan 8.280 nan 0.000 0.527 436 I N -0.376 120.279 120.570 0.141 0.000 2.252 436 I HA -0.218 3.952 4.170 -0.000 0.000 0.245 436 I C 2.662 178.791 176.117 0.020 0.000 1.102 436 I CA 1.527 62.891 61.300 0.107 0.000 1.385 436 I CB -0.830 37.229 38.000 0.098 0.000 1.064 436 I HN 0.274 nan 8.210 nan 0.000 0.414 437 G N 0.761 109.565 108.800 0.008 0.000 2.422 437 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.218 437 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.218 437 G C 1.610 176.489 174.900 -0.035 0.000 1.146 437 G CA 0.413 45.501 45.100 -0.019 0.000 0.769 437 G HN 0.251 nan 8.290 nan 0.000 0.547 438 L N 0.758 122.006 121.223 0.041 0.000 2.362 438 L HA 0.257 4.597 4.340 -0.000 0.000 0.219 438 L C 1.997 178.888 176.870 0.035 0.000 1.134 438 L CA 1.568 56.457 54.840 0.082 0.000 0.807 438 L CB -0.180 41.962 42.059 0.138 0.000 0.927 438 L HN 0.471 nan 8.230 nan 0.000 0.447 439 G N -1.437 107.363 108.800 -0.001 0.000 2.131 439 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.223 439 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.223 439 G C 0.672 175.591 174.900 0.031 0.000 0.990 439 G CA 0.506 45.596 45.100 -0.017 0.000 0.671 439 G HN 0.852 nan 8.290 nan 0.000 0.521 440 V N -3.465 116.493 119.914 0.074 0.000 3.483 440 V HA 0.798 4.918 4.120 -0.000 0.000 0.301 440 V C 0.961 177.122 176.094 0.110 0.000 1.389 440 V CA 0.949 63.295 62.300 0.076 0.000 1.101 440 V CB 0.673 32.535 31.823 0.064 0.000 0.971 440 V HN 1.707 nan 8.190 nan 0.000 0.434 441 A N 2.060 124.969 122.820 0.148 0.000 3.204 441 A HA 0.719 5.039 4.320 -0.000 0.000 0.327 441 A C -2.365 175.334 177.584 0.191 0.000 0.998 441 A CA -1.364 50.796 52.037 0.205 0.000 0.891 441 A CB -0.097 19.085 19.000 0.303 0.000 1.061 441 A HN 0.440 nan 8.150 nan 0.000 0.478 442 P HA 0.172 nan 4.420 nan 0.000 0.268 442 P C 0.028 177.320 177.300 -0.014 0.000 1.208 442 P CA 0.669 63.796 63.100 0.046 0.000 0.777 442 P CB 1.034 32.749 31.700 0.024 0.000 0.875 443 T N -0.276 114.221 114.554 -0.095 0.000 2.903 443 T HA 0.693 5.043 4.350 -0.000 0.000 0.299 443 T C -1.563 173.014 174.700 -0.204 0.000 1.093 443 T CA -0.405 61.517 62.100 -0.297 0.000 1.002 443 T CB 1.160 69.725 68.868 -0.504 0.000 1.127 443 T HN 0.586 nan 8.240 nan 0.000 0.488 444 A N 1.979 124.670 122.820 -0.215 0.000 2.610 444 A HA 0.620 4.940 4.320 -0.000 0.000 0.291 444 A C -0.167 177.381 177.584 -0.059 0.000 1.086 444 A CA -0.322 51.650 52.037 -0.107 0.000 0.677 444 A CB 1.203 20.164 19.000 -0.066 0.000 1.278 444 A HN 0.837 nan 8.150 nan 0.000 0.414 445 D N -0.100 120.289 120.400 -0.019 0.000 2.340 445 D HA 0.174 4.814 4.640 -0.000 0.000 0.220 445 D C 0.521 176.909 176.300 0.146 0.000 1.039 445 D CA 0.968 54.983 54.000 0.023 0.000 0.866 445 D CB 0.001 40.796 40.800 -0.007 0.000 0.913 445 D HN 0.762 nan 8.370 nan 0.000 0.523 446 S N -1.397 114.380 115.700 0.128 0.000 2.588 446 S HA 0.421 4.891 4.470 -0.000 0.000 0.275 446 S C 0.520 175.074 174.600 -0.078 0.000 1.130 446 S CA -0.947 57.297 58.200 0.075 0.000 0.855 446 S CB 1.040 64.244 63.200 0.006 0.000 1.116 446 S HN -0.007 nan 8.310 nan 0.000 0.472 447 L N 1.634 122.672 121.223 -0.308 0.000 2.217 447 L HA 0.022 4.362 4.340 -0.000 0.000 0.211 447 L C 2.388 179.143 176.870 -0.191 0.000 1.107 447 L CA 0.604 55.240 54.840 -0.341 0.000 0.783 447 L CB -0.497 41.275 42.059 -0.478 0.000 0.919 447 L HN 0.669 nan 8.230 nan 0.000 0.442 448 V N 0.085 119.916 119.914 -0.139 0.000 2.343 448 V HA -0.290 3.830 4.120 -0.000 0.000 0.247 448 V C 2.490 178.531 176.094 -0.087 0.000 1.051 448 V CA 1.785 64.025 62.300 -0.099 0.000 1.036 448 V CB -0.368 31.413 31.823 -0.071 0.000 0.654 448 V HN 0.421 nan 8.190 nan 0.000 0.451 449 K N -0.614 119.741 120.400 -0.075 0.000 2.025 449 K HA -0.160 4.160 4.320 -0.000 0.000 0.207 449 K C 2.082 178.634 176.600 -0.079 0.000 1.049 449 K CA 1.324 57.573 56.287 -0.063 0.000 0.933 449 K CB -0.386 32.087 32.500 -0.045 0.000 0.714 449 K HN 0.234 nan 8.250 nan 0.000 0.438 450 L N 1.003 122.168 121.223 -0.095 0.000 2.042 450 L HA -0.100 4.240 4.340 -0.000 0.000 0.210 450 L C 2.126 178.910 176.870 -0.143 0.000 1.076 450 L CA 2.010 56.781 54.840 -0.114 0.000 0.749 450 L CB -1.036 40.949 42.059 -0.123 0.000 0.893 450 L HN 0.230 nan 8.230 nan 0.000 0.432 451 G N -1.021 107.687 108.800 -0.154 0.000 2.418 451 G HA2 -0.360 3.600 3.960 -0.000 0.000 0.217 451 G HA3 -0.360 3.600 3.960 -0.000 0.000 0.217 451 G C 1.730 176.546 174.900 -0.139 0.000 1.158 451 G CA 0.936 45.934 45.100 -0.171 0.000 0.771 451 G HN 0.417 nan 8.290 nan 0.000 0.545 452 K N -0.217 120.122 120.400 -0.103 0.000 2.057 452 K HA 0.033 4.353 4.320 -0.000 0.000 0.207 452 K C 2.590 179.146 176.600 -0.073 0.000 1.049 452 K CA 1.224 57.464 56.287 -0.078 0.000 0.931 452 K CB -0.250 32.214 32.500 -0.060 0.000 0.714 452 K HN 0.313 nan 8.250 nan 0.000 0.440 453 M N 0.360 119.915 119.600 -0.076 0.000 2.108 453 M HA -0.148 4.332 4.480 -0.000 0.000 0.261 453 M C 1.231 177.494 176.300 -0.062 0.000 1.066 453 M CA 1.468 56.732 55.300 -0.061 0.000 1.107 453 M CB 0.105 32.670 32.600 -0.058 0.000 1.356 453 M HN 0.056 nan 8.290 nan 0.000 0.406 454 E N -0.794 119.342 120.200 -0.108 0.000 2.498 454 E HA 0.191 4.541 4.350 -0.000 0.000 0.203 454 E C 0.936 177.450 176.600 -0.143 0.000 1.013 454 E CA 0.519 56.846 56.400 -0.123 0.000 0.927 454 E CB 0.536 30.079 29.700 -0.261 0.000 1.012 454 E HN 0.545 nan 8.360 nan 0.000 0.482 455 G N 2.032 110.755 108.800 -0.128 0.000 2.182 455 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.248 455 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.248 455 G C 0.127 174.938 174.900 -0.149 0.000 1.042 455 G CA 0.238 45.278 45.100 -0.099 0.000 0.775 455 G HN 0.231 nan 8.290 nan 0.000 0.501 456 I N 0.274 120.708 120.570 -0.227 0.000 2.412 456 I HA 0.263 4.433 4.170 -0.000 0.000 0.296 456 I C 0.261 176.294 176.117 -0.140 0.000 0.987 456 I CA -1.045 60.122 61.300 -0.222 0.000 1.180 456 I CB 1.510 39.301 38.000 -0.348 0.000 1.340 456 I HN 0.061 nan 8.210 nan 0.000 0.455 457 D N 4.897 125.239 120.400 -0.096 0.000 2.426 457 D HA -0.026 4.614 4.640 -0.000 0.000 0.261 457 D C 1.107 177.359 176.300 -0.081 0.000 1.245 457 D CA 0.438 54.395 54.000 -0.071 0.000 0.917 457 D CB 1.434 42.206 40.800 -0.046 0.000 1.123 457 D HN 0.776 nan 8.370 nan 0.000 0.508 458 G N 4.335 113.086 108.800 -0.082 0.000 2.408 458 G HA2 -0.231 3.728 3.960 -0.000 0.000 0.215 458 G HA3 -0.231 3.728 3.960 -0.000 0.000 0.215 458 G C 1.413 176.264 174.900 -0.081 0.000 1.156 458 G CA 0.519 45.563 45.100 -0.093 0.000 0.793 458 G HN 0.542 nan 8.290 nan 0.000 0.535 459 K N 0.548 120.912 120.400 -0.060 0.000 2.025 459 K HA 0.077 4.397 4.320 -0.000 0.000 0.207 459 K C 2.773 179.348 176.600 -0.042 0.000 1.049 459 K CA 1.189 57.448 56.287 -0.047 0.000 0.933 459 K CB -0.291 32.189 32.500 -0.034 0.000 0.714 459 K HN 0.170 nan 8.250 nan 0.000 0.438 460 A N 1.403 124.201 122.820 -0.036 0.000 1.902 460 A HA -0.159 4.161 4.320 -0.000 0.000 0.217 460 A C 2.045 179.612 177.584 -0.029 0.000 1.181 460 A CA 1.334 53.358 52.037 -0.021 0.000 0.623 460 A CB -0.642 18.351 19.000 -0.012 0.000 0.818 460 A HN 0.393 nan 8.150 nan 0.000 0.443 461 L N -0.168 121.020 121.223 -0.057 0.000 2.042 461 L HA -0.126 4.214 4.340 -0.000 0.000 0.210 461 L C 2.462 179.276 176.870 -0.094 0.000 1.076 461 L CA 2.815 57.608 54.840 -0.079 0.000 0.749 461 L CB -1.143 40.843 42.059 -0.123 0.000 0.893 461 L HN 0.376 nan 8.230 nan 0.000 0.432 462 T N -0.459 114.032 114.554 -0.105 0.000 2.708 462 T HA -0.183 4.167 4.350 -0.000 0.000 0.266 462 T C 1.686 176.351 174.700 -0.058 0.000 1.037 462 T CA 1.818 63.850 62.100 -0.114 0.000 1.146 462 T CB -0.215 68.593 68.868 -0.100 0.000 0.865 462 T HN 0.488 nan 8.240 nan 0.000 0.435 463 E N 0.363 120.545 120.200 -0.031 0.000 2.150 463 E HA -0.077 4.273 4.350 -0.000 0.000 0.193 463 E C 2.410 179.023 176.600 0.022 0.000 0.985 463 E CA 1.095 57.494 56.400 -0.002 0.000 0.814 463 E CB -0.201 29.500 29.700 0.001 0.000 0.752 463 E HN 0.352 nan 8.360 nan 0.000 0.466 464 T N 0.795 115.362 114.554 0.022 0.000 2.746 464 T HA -0.111 4.239 4.350 -0.000 0.000 0.267 464 T C 2.065 176.818 174.700 0.089 0.000 1.039 464 T CA 0.934 63.068 62.100 0.057 0.000 1.142 464 T CB -0.057 68.835 68.868 0.041 0.000 0.866 464 T HN -0.019 nan 8.240 nan 0.000 0.444 465 V N 1.450 121.394 119.914 0.049 0.000 2.453 465 V HA -0.069 4.051 4.120 -0.000 0.000 0.247 465 V C 2.819 178.989 176.094 0.126 0.000 1.048 465 V CA 1.439 63.796 62.300 0.096 0.000 1.049 465 V CB -1.094 30.735 31.823 0.010 0.000 0.672 465 V HN 0.492 nan 8.190 nan 0.000 0.457 466 A N 0.480 123.340 122.820 0.066 0.000 1.908 466 A HA -0.285 4.035 4.320 -0.000 0.000 0.218 466 A C 2.379 180.004 177.584 0.068 0.000 1.181 466 A CA 2.276 54.349 52.037 0.060 0.000 0.627 466 A CB -0.565 18.454 19.000 0.031 0.000 0.818 466 A HN 0.517 nan 8.150 nan 0.000 0.445 467 R N -2.090 118.457 120.500 0.078 0.000 2.073 467 R HA -0.197 4.143 4.340 -0.000 0.000 0.234 467 R C 2.093 178.453 176.300 0.099 0.000 1.134 467 R CA 1.974 58.120 56.100 0.076 0.000 0.952 467 R CB -0.602 29.748 30.300 0.083 0.000 0.850 467 R HN 0.565 nan 8.270 nan 0.000 0.433 468 Y N 1.699 122.023 120.300 0.041 0.000 2.181 468 Y HA -0.203 4.346 4.550 -0.000 0.000 0.288 468 Y C 1.727 177.654 175.900 0.045 0.000 1.146 468 Y CA 2.024 60.154 58.100 0.049 0.000 1.164 468 Y CB -0.321 38.173 38.460 0.056 0.000 0.982 468 Y HN 0.195 nan 8.280 nan 0.000 0.515 469 N N -0.525 118.183 118.700 0.014 0.000 2.166 469 N HA -0.187 4.553 4.740 -0.000 0.000 0.186 469 N C 2.150 177.601 175.510 -0.098 0.000 1.019 469 N CA 1.394 54.412 53.050 -0.054 0.000 0.856 469 N CB -0.701 37.825 38.487 0.065 0.000 0.993 469 N HN 0.362 nan 8.380 nan 0.000 0.426 470 S N 0.386 116.052 115.700 -0.057 0.000 2.382 470 S HA 0.058 4.528 4.470 -0.000 0.000 0.228 470 S C 1.899 176.444 174.600 -0.092 0.000 1.027 470 S CA 0.576 58.744 58.200 -0.053 0.000 0.991 470 S CB -0.129 63.058 63.200 -0.021 0.000 0.823 470 S HN 0.222 nan 8.310 nan 0.000 0.469 471 L N 0.813 121.951 121.223 -0.141 0.000 2.093 471 L HA -0.031 4.309 4.340 -0.000 0.000 0.208 471 L C 2.419 179.163 176.870 -0.210 0.000 1.085 471 L CA 0.723 55.469 54.840 -0.157 0.000 0.755 471 L CB -0.576 41.395 42.059 -0.147 0.000 0.904 471 L HN 0.210 nan 8.230 nan 0.000 0.435 472 V N -0.890 118.826 119.914 -0.330 0.000 2.343 472 V HA -0.304 3.815 4.120 -0.000 0.000 0.247 472 V C 2.708 178.726 176.094 -0.127 0.000 1.051 472 V CA 2.116 64.259 62.300 -0.260 0.000 1.036 472 V CB -0.391 31.257 31.823 -0.292 0.000 0.654 472 V HN 0.476 nan 8.190 nan 0.000 0.451 473 S N 0.561 116.201 115.700 -0.101 0.000 2.383 473 S HA -0.157 4.313 4.470 -0.000 0.000 0.227 473 S C 2.136 176.708 174.600 -0.047 0.000 1.026 473 S CA 1.833 59.999 58.200 -0.056 0.000 0.981 473 S CB -0.314 62.862 63.200 -0.040 0.000 0.818 473 S HN 0.797 nan 8.310 nan 0.000 0.472 474 S N -0.450 115.217 115.700 -0.055 0.000 2.527 474 S HA 0.340 4.810 4.470 -0.000 0.000 0.222 474 S C 1.607 176.183 174.600 -0.040 0.000 0.985 474 S CA 0.859 59.034 58.200 -0.041 0.000 0.921 474 S CB -0.334 62.843 63.200 -0.038 0.000 0.772 474 S HN 1.279 nan 8.310 nan 0.000 0.529 475 G N 0.664 109.433 108.800 -0.051 0.000 2.157 475 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.248 475 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.248 475 G C -0.135 174.744 174.900 -0.035 0.000 0.979 475 G CA 0.317 45.393 45.100 -0.040 0.000 0.650 475 G HN 0.752 nan 8.290 nan 0.000 0.529 476 K N 0.346 120.721 120.400 -0.041 0.000 2.581 476 K HA 0.404 4.724 4.320 -0.000 0.000 0.249 476 K C -1.765 174.819 176.600 -0.027 0.000 0.966 476 K CA -0.804 55.467 56.287 -0.027 0.000 0.811 476 K CB 1.274 33.761 32.500 -0.021 0.000 1.223 476 K HN 0.000 nan 8.250 nan 0.000 0.438 477 D N 3.244 123.642 120.400 -0.002 0.000 2.453 477 D HA 0.018 4.658 4.640 -0.000 0.000 0.223 477 D C 0.878 177.183 176.300 0.009 0.000 1.183 477 D CA -0.099 53.919 54.000 0.029 0.000 0.933 477 D CB 0.988 41.851 40.800 0.104 0.000 1.038 477 D HN 0.599 nan 8.370 nan 0.000 0.513 478 T N -0.090 114.452 114.554 -0.021 0.000 3.085 478 T HA -0.075 4.275 4.350 -0.000 0.000 0.263 478 T C 1.043 175.673 174.700 -0.116 0.000 1.127 478 T CA 0.410 62.478 62.100 -0.052 0.000 1.103 478 T CB 0.207 69.046 68.868 -0.048 0.000 0.921 478 T HN 0.125 nan 8.240 nan 0.000 0.510 479 D N 0.768 121.083 120.400 -0.142 0.000 2.149 479 D HA 0.135 4.775 4.640 -0.000 0.000 0.206 479 D C 0.749 176.584 176.300 -0.775 0.000 0.967 479 D CA 0.880 54.635 54.000 -0.409 0.000 0.848 479 D CB -0.069 40.567 40.800 -0.274 0.000 0.998 479 D HN 0.520 nan 8.370 nan 0.000 0.474 480 F N -0.120 119.846 119.950 0.027 0.000 2.781 480 F HA 0.231 4.758 4.527 -0.000 0.000 0.322 480 F C 0.160 175.966 175.800 0.009 0.000 1.108 480 F CA -0.321 57.686 58.000 0.012 0.000 1.179 480 F CB 0.352 39.345 39.000 -0.011 0.000 1.072 480 F HN -0.247 nan 8.300 nan 0.000 0.545 481 E N 0.425 120.687 120.200 0.104 0.000 2.722 481 E HA -0.296 4.054 4.350 -0.000 0.000 0.265 481 E C 0.605 177.254 176.600 0.082 0.000 1.081 481 E CA 0.241 56.682 56.400 0.068 0.000 0.781 481 E CB -1.067 28.660 29.700 0.045 0.000 1.372 481 E HN 0.437 nan 8.360 nan 0.000 0.423 482 R N 1.689 122.258 120.500 0.116 0.000 2.480 482 R HA -0.002 4.338 4.340 -0.000 0.000 0.303 482 R C -1.275 175.064 176.300 0.065 0.000 0.985 482 R CA -0.533 55.622 56.100 0.092 0.000 1.051 482 R CB 0.581 30.960 30.300 0.131 0.000 0.935 482 R HN -0.044 nan 8.270 nan 0.000 0.410 483 P HA -0.035 nan 4.420 nan 0.000 0.245 483 P C -0.739 176.575 177.300 0.023 0.000 1.206 483 P CA 0.629 63.745 63.100 0.026 0.000 0.781 483 P CB 0.262 31.972 31.700 0.017 0.000 0.994 484 N N 0.707 119.427 118.700 0.034 0.000 2.410 484 N HA 0.257 4.997 4.740 -0.000 0.000 0.287 484 N C -1.339 174.204 175.510 0.054 0.000 1.044 484 N CA -0.424 52.644 53.050 0.031 0.000 0.881 484 N CB 1.480 39.981 38.487 0.023 0.000 1.405 484 N HN -0.124 nan 8.380 nan 0.000 0.490 485 L N 5.716 126.964 121.223 0.041 0.000 2.495 485 L HA 0.407 4.747 4.340 -0.000 0.000 0.248 485 L C -1.392 175.500 176.870 0.037 0.000 1.229 485 L CA -1.166 53.704 54.840 0.050 0.000 0.942 485 L CB 1.610 43.651 42.059 -0.029 0.000 1.242 485 L HN 0.428 nan 8.230 nan 0.000 0.484 486 P HA 0.041 nan 4.420 nan 0.000 0.227 486 P C 0.170 177.499 177.300 0.047 0.000 1.161 486 P CA 0.568 63.694 63.100 0.043 0.000 0.788 486 P CB 0.643 32.367 31.700 0.041 0.000 0.822 487 R N -0.759 119.787 120.500 0.077 0.000 2.626 487 R HA 0.641 4.981 4.340 -0.000 0.000 0.274 487 R C -0.981 175.390 176.300 0.119 0.000 1.031 487 R CA -0.751 55.400 56.100 0.085 0.000 0.898 487 R CB 2.314 32.673 30.300 0.098 0.000 1.222 487 R HN -0.078 nan 8.270 nan 0.000 0.455 488 A N 3.077 125.953 122.820 0.092 0.000 2.340 488 A HA 0.419 4.739 4.320 -0.000 0.000 0.268 488 A C 0.075 177.765 177.584 0.176 0.000 1.100 488 A CA -0.424 51.685 52.037 0.120 0.000 0.803 488 A CB 0.292 19.334 19.000 0.070 0.000 1.043 488 A HN 0.632 nan 8.150 nan 0.000 0.488 489 L N 2.985 124.356 121.223 0.246 0.000 2.389 489 L HA 0.274 4.614 4.340 -0.000 0.000 0.265 489 L C 0.726 177.766 176.870 0.283 0.000 1.167 489 L CA 0.068 55.073 54.840 0.274 0.000 1.045 489 L CB -0.813 41.441 42.059 0.326 0.000 1.351 489 L HN 1.013 nan 8.230 nan 0.000 0.419 490 N N 0.403 119.207 118.700 0.173 0.000 2.162 490 N HA 0.050 4.790 4.740 -0.000 0.000 0.232 490 N C -0.241 175.289 175.510 0.034 0.000 1.361 490 N CA -0.445 52.687 53.050 0.137 0.000 0.786 490 N CB 0.853 39.414 38.487 0.123 0.000 1.290 490 N HN 0.423 nan 8.380 nan 0.000 0.505 491 E N 1.254 121.444 120.200 -0.017 0.000 2.165 491 E HA 0.457 4.806 4.350 -0.000 0.000 0.266 491 E C 0.634 177.163 176.600 -0.120 0.000 0.889 491 E CA 0.039 56.416 56.400 -0.038 0.000 0.756 491 E CB 1.362 31.066 29.700 0.008 0.000 1.131 491 E HN 0.368 nan 8.360 nan 0.000 0.411 492 G N 4.472 113.194 108.800 -0.131 0.000 2.528 492 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.262 492 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.262 492 G C -0.190 174.510 174.900 -0.334 0.000 1.200 492 G CA -0.145 44.866 45.100 -0.148 0.000 0.951 492 G HN 0.636 nan 8.290 nan 0.000 0.566 493 N N -0.108 118.416 118.700 -0.293 0.000 2.408 493 N HA 0.601 5.340 4.740 -0.000 0.000 0.260 493 N C -0.560 174.552 175.510 -0.662 0.000 1.242 493 N CA 0.075 52.855 53.050 -0.450 0.000 0.959 493 N CB 0.400 38.667 38.487 -0.366 0.000 1.201 493 N HN 0.450 nan 8.380 nan 0.000 0.511 494 Y N -0.215 119.884 120.300 -0.335 0.000 2.457 494 Y HA 0.447 4.997 4.550 -0.000 0.000 0.333 494 Y C -0.499 175.017 175.900 -0.640 0.000 1.119 494 Y CA -0.524 57.392 58.100 -0.307 0.000 1.143 494 Y CB 1.006 39.357 38.460 -0.182 0.000 1.230 494 Y HN 0.348 nan 8.280 nan 0.000 0.469 495 Y N 0.090 120.218 120.300 -0.286 0.000 2.512 495 Y HA 0.758 5.308 4.550 -0.000 0.000 0.348 495 Y C -0.438 175.175 175.900 -0.478 0.000 0.990 495 Y CA -1.406 56.397 58.100 -0.494 0.000 1.033 495 Y CB 2.075 39.945 38.460 -0.985 0.000 1.259 495 Y HN 0.642 nan 8.280 nan 0.000 0.461 496 A N 3.237 125.999 122.820 -0.095 0.000 2.371 496 A HA 0.881 5.201 4.320 -0.000 0.000 0.311 496 A C -1.355 176.307 177.584 0.131 0.000 1.068 496 A CA -0.652 51.400 52.037 0.024 0.000 0.744 496 A CB 0.739 19.761 19.000 0.037 0.000 1.239 496 A HN 0.707 nan 8.150 nan 0.000 0.435 497 I N 1.687 122.369 120.570 0.186 0.000 2.439 497 I HA 0.264 4.434 4.170 -0.000 0.000 0.285 497 I C 0.096 176.223 176.117 0.018 0.000 1.021 497 I CA -0.302 61.071 61.300 0.122 0.000 1.091 497 I CB 1.915 39.970 38.000 0.091 0.000 1.242 497 I HN 0.804 nan 8.210 nan 0.000 0.439 498 E N 6.422 126.559 120.200 -0.105 0.000 2.324 498 E HA 0.359 4.709 4.350 -0.000 0.000 0.271 498 E C -1.010 175.407 176.600 -0.305 0.000 1.028 498 E CA -0.329 55.772 56.400 -0.499 0.000 0.890 498 E CB 1.052 30.458 29.700 -0.491 0.000 1.004 498 E HN 0.482 nan 8.360 nan 0.000 0.431 499 V N 1.075 120.803 119.914 -0.310 0.000 2.962 499 V HA 0.799 4.919 4.120 -0.000 0.000 0.313 499 V C -0.391 175.602 176.094 -0.169 0.000 1.099 499 V CA -0.678 61.509 62.300 -0.188 0.000 0.971 499 V CB 1.937 33.688 31.823 -0.119 0.000 1.028 499 V HN 0.628 nan 8.190 nan 0.000 0.430 500 T N 3.069 117.542 114.554 -0.134 0.000 2.853 500 T HA 0.670 5.020 4.350 -0.000 0.000 0.311 500 T C -3.132 171.519 174.700 -0.081 0.000 1.307 500 T CA -1.241 60.783 62.100 -0.126 0.000 1.019 500 T CB 2.466 71.225 68.868 -0.182 0.000 1.264 500 T HN 0.727 nan 8.240 nan 0.000 0.497 501 P HA 0.513 nan 4.420 nan 0.000 0.272 501 P C -0.736 176.618 177.300 0.090 0.000 1.223 501 P CA 0.015 63.156 63.100 0.068 0.000 0.784 501 P CB 0.662 32.470 31.700 0.181 0.000 0.923 502 G N 0.211 109.119 108.800 0.180 0.000 2.696 502 G HA2 0.475 4.435 3.960 -0.000 0.000 0.295 502 G HA3 0.475 4.435 3.960 -0.000 0.000 0.295 502 G C -1.202 173.838 174.900 0.234 0.000 1.398 502 G CA -0.603 44.626 45.100 0.215 0.000 0.920 502 G HN 0.315 nan 8.290 nan 0.000 0.492 503 V N 0.749 120.794 119.914 0.218 0.000 2.655 503 V HA 0.243 4.363 4.120 -0.000 0.000 0.300 503 V C 0.889 177.087 176.094 0.174 0.000 1.044 503 V CA 0.625 63.007 62.300 0.137 0.000 1.095 503 V CB 1.136 32.994 31.823 0.059 0.000 0.952 503 V HN 1.019 nan 8.190 nan 0.000 0.485 504 H N 2.296 121.387 119.070 0.034 0.000 2.276 504 H HA 0.308 4.864 4.556 -0.000 0.000 0.199 504 H C 0.087 175.454 175.328 0.064 0.000 0.867 504 H CA 0.600 56.686 56.048 0.063 0.000 0.948 504 H CB 0.595 30.441 29.762 0.138 0.000 1.251 504 H HN 0.778 nan 8.280 nan 0.000 0.388 505 H N -0.162 118.840 119.070 -0.113 0.000 2.954 505 H HA 0.436 4.992 4.556 -0.000 0.000 0.361 505 H C -1.280 173.919 175.328 -0.214 0.000 1.122 505 H CA -0.210 55.700 56.048 -0.231 0.000 1.217 505 H CB 1.397 31.030 29.762 -0.215 0.000 1.776 505 H HN 0.239 nan 8.280 nan 0.000 0.533 506 T N 3.501 117.705 114.554 -0.584 0.000 2.853 506 T HA 0.195 4.545 4.350 -0.000 0.000 0.317 506 T C 1.002 175.561 174.700 -0.235 0.000 1.059 506 T CA -0.838 60.975 62.100 -0.479 0.000 0.954 506 T CB 0.660 68.944 68.868 -0.974 0.000 0.994 506 T HN 0.527 nan 8.240 nan 0.000 0.479 507 M N 2.665 122.306 119.600 0.068 0.000 2.296 507 M HA 0.182 4.662 4.480 -0.000 0.000 0.265 507 M C 1.682 178.080 176.300 0.163 0.000 1.064 507 M CA 0.813 56.238 55.300 0.208 0.000 1.109 507 M CB -0.501 32.241 32.600 0.236 0.000 1.396 507 M HN 0.836 nan 8.290 nan 0.000 0.430 508 G N -1.109 107.785 108.800 0.157 0.000 2.588 508 G HA2 0.559 4.519 3.960 -0.000 0.000 0.281 508 G HA3 0.559 4.519 3.960 -0.000 0.000 0.281 508 G C 0.181 175.162 174.900 0.135 0.000 1.236 508 G CA -0.104 45.091 45.100 0.159 0.000 0.969 508 G HN 0.557 nan 8.290 nan 0.000 0.504 509 G N -2.380 106.479 108.800 0.099 0.000 2.373 509 G HA2 0.363 4.323 3.960 -0.000 0.000 0.250 509 G HA3 0.363 4.323 3.960 -0.000 0.000 0.250 509 G C -0.839 174.073 174.900 0.020 0.000 1.304 509 G CA 0.074 45.215 45.100 0.069 0.000 0.948 509 G HN 1.420 nan 8.290 nan 0.000 0.474 510 V N 1.810 121.725 119.914 0.001 0.000 2.637 510 V HA 0.538 4.657 4.120 -0.000 0.000 0.296 510 V C 1.001 177.078 176.094 -0.028 0.000 1.046 510 V CA 0.060 62.350 62.300 -0.017 0.000 1.066 510 V CB 1.058 32.869 31.823 -0.020 0.000 0.968 510 V HN 0.787 nan 8.190 nan 0.000 0.483 511 M N 8.180 127.763 119.600 -0.029 0.000 2.194 511 M HA 0.410 4.890 4.480 -0.000 0.000 0.347 511 M C -0.404 175.871 176.300 -0.042 0.000 1.439 511 M CA 0.110 55.390 55.300 -0.033 0.000 1.131 511 M CB 0.121 32.706 32.600 -0.025 0.000 1.733 511 M HN 0.695 nan 8.290 nan 0.000 0.467 512 I N 1.477 122.019 120.570 -0.048 0.000 2.846 512 I HA 0.690 4.860 4.170 -0.000 0.000 0.307 512 I C -0.738 175.372 176.117 -0.012 0.000 1.053 512 I CA -1.108 60.171 61.300 -0.035 0.000 1.050 512 I CB 1.769 39.749 38.000 -0.033 0.000 1.239 512 I HN 0.558 nan 8.210 nan 0.000 0.439 513 D N 0.757 121.165 120.400 0.014 0.000 2.539 513 D HA 0.200 4.840 4.640 -0.000 0.000 0.276 513 D C 1.087 177.448 176.300 0.101 0.000 1.206 513 D CA -0.016 54.009 54.000 0.041 0.000 1.081 513 D CB 0.282 41.099 40.800 0.027 0.000 1.142 513 D HN 0.757 nan 8.370 nan 0.000 0.595 514 T N -3.545 111.071 114.554 0.103 0.000 3.113 514 T HA -0.014 4.336 4.350 -0.000 0.000 0.263 514 T C 1.000 175.772 174.700 0.121 0.000 1.143 514 T CA 0.547 62.726 62.100 0.131 0.000 1.090 514 T CB -0.334 68.581 68.868 0.078 0.000 0.922 514 T HN 0.372 nan 8.240 nan 0.000 0.521 515 K N 0.815 121.291 120.400 0.127 0.000 2.437 515 K HA 0.617 4.937 4.320 -0.000 0.000 0.205 515 K C 1.012 177.752 176.600 0.234 0.000 1.026 515 K CA 0.231 56.607 56.287 0.149 0.000 1.153 515 K CB 0.259 32.844 32.500 0.142 0.000 0.863 515 K HN 0.320 nan 8.250 nan 0.000 0.502 516 A N 1.325 124.291 122.820 0.244 0.000 2.847 516 A HA -0.241 4.079 4.320 -0.000 0.000 0.263 516 A C -0.313 177.390 177.584 0.198 0.000 1.391 516 A CA 1.079 53.278 52.037 0.270 0.000 0.866 516 A CB -1.885 17.319 19.000 0.341 0.000 1.057 516 A HN 0.520 nan 8.150 nan 0.000 0.673 517 E N -0.148 120.075 120.200 0.039 0.000 2.289 517 E HA 0.420 4.770 4.350 -0.000 0.000 0.278 517 E C 0.118 176.617 176.600 -0.168 0.000 1.032 517 E CA -0.497 55.753 56.400 -0.249 0.000 0.854 517 E CB 1.379 30.934 29.700 -0.242 0.000 1.046 517 E HN 0.293 nan 8.360 nan 0.000 0.409 518 V N 4.808 124.591 119.914 -0.217 0.000 2.637 518 V HA 0.089 4.209 4.120 -0.000 0.000 0.296 518 V C 0.302 176.325 176.094 -0.119 0.000 1.046 518 V CA 0.402 62.624 62.300 -0.130 0.000 1.066 518 V CB 0.526 32.278 31.823 -0.118 0.000 0.968 518 V HN 0.657 nan 8.190 nan 0.000 0.483 519 M N 4.484 124.038 119.600 -0.077 0.000 2.598 519 M HA 0.450 4.930 4.480 -0.000 0.000 0.317 519 M C -0.038 176.233 176.300 -0.049 0.000 1.179 519 M CA -0.758 54.506 55.300 -0.061 0.000 0.936 519 M CB 1.967 34.541 32.600 -0.043 0.000 1.713 519 M HN 0.821 nan 8.290 nan 0.000 0.460 520 N N 1.251 119.926 118.700 -0.043 0.000 2.418 520 N HA 0.373 5.113 4.740 -0.000 0.000 0.283 520 N C 0.527 176.021 175.510 -0.027 0.000 1.267 520 N CA -0.262 52.767 53.050 -0.035 0.000 0.975 520 N CB 0.164 38.631 38.487 -0.033 0.000 1.167 520 N HN 0.708 nan 8.380 nan 0.000 0.581 521 A N -0.585 122.220 122.820 -0.024 0.000 2.067 521 A HA -0.099 4.221 4.320 -0.000 0.000 0.219 521 A C 1.502 179.076 177.584 -0.016 0.000 1.158 521 A CA 1.038 53.063 52.037 -0.020 0.000 0.661 521 A CB -0.621 18.367 19.000 -0.020 0.000 0.801 521 A HN 0.721 nan 8.150 nan 0.000 0.452 522 K N -0.403 119.987 120.400 -0.016 0.000 2.505 522 K HA 0.088 4.407 4.320 -0.000 0.000 0.192 522 K C -0.267 176.326 176.600 -0.012 0.000 1.025 522 K CA 0.234 56.514 56.287 -0.012 0.000 1.086 522 K CB 0.010 32.503 32.500 -0.012 0.000 0.840 522 K HN 0.441 nan 8.250 nan 0.000 0.514 523 K N 0.749 121.140 120.400 -0.015 0.000 3.160 523 K HA -0.218 4.102 4.320 -0.000 0.000 0.280 523 K C -0.863 175.727 176.600 -0.016 0.000 1.154 523 K CA 0.697 56.975 56.287 -0.014 0.000 0.822 523 K CB -1.596 30.900 32.500 -0.008 0.000 1.239 523 K HN 0.375 nan 8.250 nan 0.000 0.489 524 Q N 0.771 120.559 119.800 -0.020 0.000 2.256 524 Q HA 0.365 4.705 4.340 -0.000 0.000 0.254 524 Q C 0.144 176.122 176.000 -0.037 0.000 0.916 524 Q CA -0.699 55.090 55.803 -0.022 0.000 0.932 524 Q CB 1.881 30.607 28.738 -0.018 0.000 1.207 524 Q HN -0.005 nan 8.270 nan 0.000 0.426 525 V N 4.077 123.966 119.914 -0.042 0.000 2.673 525 V HA -0.021 4.099 4.120 -0.000 0.000 0.303 525 V C 0.313 176.359 176.094 -0.081 0.000 1.046 525 V CA 0.384 62.640 62.300 -0.074 0.000 1.126 525 V CB 0.228 32.006 31.823 -0.076 0.000 0.934 525 V HN 0.647 nan 8.190 nan 0.000 0.487 526 I N 7.631 128.130 120.570 -0.119 0.000 2.291 526 I HA 0.246 4.415 4.170 -0.000 0.000 0.292 526 I C -2.168 173.847 176.117 -0.170 0.000 1.064 526 I CA -1.738 59.495 61.300 -0.113 0.000 1.269 526 I CB 1.005 38.941 38.000 -0.108 0.000 1.418 526 I HN 0.452 nan 8.210 nan 0.000 0.485 527 P HA 0.084 nan 4.420 nan 0.000 0.267 527 P C 0.895 178.047 177.300 -0.246 0.000 1.209 527 P CA 0.544 63.572 63.100 -0.121 0.000 0.763 527 P CB 0.764 32.532 31.700 0.113 0.000 0.816 528 G N 1.865 110.222 108.800 -0.739 0.000 2.195 528 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.246 528 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.246 528 G C -0.366 174.365 174.900 -0.281 0.000 0.984 528 G CA -0.246 44.502 45.100 -0.588 0.000 0.633 528 G HN 0.570 nan 8.290 nan 0.000 0.525 529 L N 1.159 122.122 121.223 -0.433 0.000 2.296 529 L HA 0.854 5.194 4.340 -0.000 0.000 0.286 529 L C -0.700 175.875 176.870 -0.492 0.000 1.023 529 L CA -1.730 52.951 54.840 -0.266 0.000 0.812 529 L CB 0.767 42.726 42.059 -0.167 0.000 1.223 529 L HN 0.137 nan 8.230 nan 0.000 0.421 530 Y N 2.575 122.837 120.300 -0.065 0.000 2.570 530 Y HA 0.824 5.374 4.550 -0.000 0.000 0.345 530 Y C 0.551 176.442 175.900 -0.014 0.000 1.014 530 Y CA -0.724 57.354 58.100 -0.037 0.000 1.063 530 Y CB 2.497 40.941 38.460 -0.028 0.000 1.272 530 Y HN 0.642 nan 8.280 nan 0.000 0.477 531 G N 0.171 109.058 108.800 0.146 0.000 2.638 531 G HA2 0.753 4.713 3.960 -0.000 0.000 0.302 531 G HA3 0.753 4.713 3.960 -0.000 0.000 0.302 531 G C -1.903 173.053 174.900 0.095 0.000 1.365 531 G CA -0.838 44.313 45.100 0.086 0.000 0.987 531 G HN 0.813 nan 8.290 nan 0.000 0.495 532 A N 0.409 123.278 122.820 0.083 0.000 2.488 532 A HA 1.061 5.381 4.320 -0.000 0.000 0.298 532 A C 0.379 178.010 177.584 0.078 0.000 1.044 532 A CA 0.438 52.536 52.037 0.103 0.000 0.693 532 A CB 1.360 20.461 19.000 0.167 0.000 1.272 532 A HN 2.711 nan 8.150 nan 0.000 0.402 533 G N 0.809 109.647 108.800 0.063 0.000 2.512 533 G HA2 -0.104 3.856 3.960 -0.000 0.000 0.210 533 G HA3 -0.104 3.856 3.960 -0.000 0.000 0.210 533 G C 0.670 175.602 174.900 0.054 0.000 1.295 533 G CA 0.558 45.712 45.100 0.090 0.000 0.934 533 G HN 1.250 nan 8.290 nan 0.000 0.554 534 E N -0.685 119.548 120.200 0.055 0.000 2.333 534 E HA 0.009 4.359 4.350 -0.000 0.000 0.198 534 E C 2.452 179.027 176.600 -0.042 0.000 1.007 534 E CA 1.437 57.822 56.400 -0.024 0.000 0.845 534 E CB -0.079 29.526 29.700 -0.158 0.000 0.766 534 E HN 0.690 nan 8.360 nan 0.000 0.507 535 V N 1.193 121.105 119.914 -0.004 0.000 2.867 535 V HA -0.122 3.998 4.120 -0.000 0.000 0.260 535 V C 1.130 177.228 176.094 0.007 0.000 1.099 535 V CA 1.635 63.943 62.300 0.013 0.000 1.122 535 V CB -0.507 31.329 31.823 0.021 0.000 0.708 535 V HN 0.465 nan 8.190 nan 0.000 0.490 536 T N -1.527 113.016 114.554 -0.018 0.000 2.918 536 T HA 0.640 4.990 4.350 -0.000 0.000 0.283 536 T C 0.121 174.806 174.700 -0.026 0.000 1.001 536 T CA -0.002 62.069 62.100 -0.049 0.000 1.041 536 T CB 1.566 70.348 68.868 -0.143 0.000 1.028 536 T HN 0.422 nan 8.240 nan 0.000 0.511 537 G N -1.723 107.058 108.800 -0.031 0.000 2.473 537 G HA2 0.596 4.556 3.960 -0.000 0.000 0.321 537 G HA3 0.596 4.556 3.960 -0.000 0.000 0.321 537 G C 0.696 175.564 174.900 -0.054 0.000 1.200 537 G CA -0.471 44.627 45.100 -0.004 0.000 0.963 537 G HN 1.799 nan 8.290 nan 0.000 0.483 538 G N -1.125 107.650 108.800 -0.041 0.000 2.232 538 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.226 538 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.226 538 G C 1.193 176.003 174.900 -0.151 0.000 0.996 538 G CA 0.722 45.777 45.100 -0.074 0.000 0.626 538 G HN 1.173 nan 8.290 nan 0.000 0.509 539 V N -0.001 119.756 119.914 -0.261 0.000 2.407 539 V HA 0.052 4.172 4.120 -0.000 0.000 0.245 539 V C 1.984 177.744 176.094 -0.557 0.000 1.041 539 V CA 2.579 64.595 62.300 -0.474 0.000 1.040 539 V CB -0.422 30.953 31.823 -0.746 0.000 0.671 539 V HN 0.587 nan 8.190 nan 0.000 0.455 540 H N -0.985 118.055 119.070 -0.050 0.000 2.740 540 H HA 0.483 5.039 4.556 -0.000 0.000 0.265 540 H C 1.510 176.777 175.328 -0.100 0.000 0.978 540 H CA 0.430 56.441 56.048 -0.060 0.000 1.198 540 H CB 0.587 30.334 29.762 -0.025 0.000 1.467 540 H HN 0.482 nan 8.280 nan 0.000 0.511 541 G N 1.293 110.062 108.800 -0.051 0.000 2.574 541 G HA2 -0.411 3.549 3.960 -0.000 0.000 0.286 541 G HA3 -0.411 3.549 3.960 -0.000 0.000 0.286 541 G C 1.286 175.980 174.900 -0.344 0.000 1.212 541 G CA 0.485 45.465 45.100 -0.199 0.000 0.979 541 G HN 0.547 nan 8.290 nan 0.000 0.557 542 A N 0.042 122.538 122.820 -0.540 0.000 2.208 542 A HA 0.477 4.796 4.320 -0.000 0.000 0.209 542 A C 0.951 178.434 177.584 -0.168 0.000 1.161 542 A CA 1.912 53.576 52.037 -0.622 0.000 0.782 542 A CB -0.334 18.300 19.000 -0.609 0.000 0.816 542 A HN 1.868 nan 8.150 nan 0.000 0.477 543 N N -1.182 117.454 118.700 -0.107 0.000 2.777 543 N HA 0.193 4.933 4.740 -0.000 0.000 0.260 543 N C -0.996 174.489 175.510 -0.041 0.000 1.113 543 N CA -0.450 52.573 53.050 -0.046 0.000 0.996 543 N CB 0.878 39.335 38.487 -0.050 0.000 1.584 543 N HN 0.229 nan 8.380 nan 0.000 0.573 544 R N 3.710 124.177 120.500 -0.055 0.000 2.441 544 R HA 0.408 4.748 4.340 -0.000 0.000 0.284 544 R C -0.414 175.816 176.300 -0.116 0.000 1.070 544 R CA -0.414 55.615 56.100 -0.119 0.000 1.047 544 R CB 0.557 30.610 30.300 -0.412 0.000 1.016 544 R HN 0.554 nan 8.270 nan 0.000 0.477 545 L N 3.202 124.381 121.223 -0.074 0.000 2.380 545 L HA 0.216 4.556 4.340 -0.000 0.000 0.273 545 L C 1.072 177.891 176.870 -0.084 0.000 1.138 545 L CA -0.306 54.497 54.840 -0.062 0.000 0.832 545 L CB 0.994 43.042 42.059 -0.019 0.000 1.124 545 L HN 0.838 nan 8.230 nan 0.000 0.454 546 G N 1.299 110.056 108.800 -0.072 0.000 2.225 546 G HA2 0.308 4.268 3.960 -0.000 0.000 0.245 546 G HA3 0.308 4.268 3.960 -0.000 0.000 0.245 546 G C 0.975 175.871 174.900 -0.006 0.000 1.249 546 G CA 0.466 45.539 45.100 -0.044 0.000 0.919 546 G HN 1.076 nan 8.290 nan 0.000 0.486 547 G N 2.385 111.194 108.800 0.014 0.000 2.234 547 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.235 547 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.235 547 G C 1.192 176.124 174.900 0.053 0.000 0.997 547 G CA 0.586 45.716 45.100 0.051 0.000 0.623 547 G HN 0.672 nan 8.290 nan 0.000 0.514 548 N N 0.726 119.433 118.700 0.011 0.000 2.424 548 N HA 0.360 5.100 4.740 -0.000 0.000 0.178 548 N C 2.327 177.883 175.510 0.076 0.000 1.060 548 N CA 1.483 54.576 53.050 0.072 0.000 0.901 548 N CB -0.219 38.337 38.487 0.114 0.000 0.979 548 N HN 0.692 nan 8.380 nan 0.000 0.451 549 A N 0.819 123.592 122.820 -0.080 0.000 1.872 549 A HA -0.001 4.319 4.320 -0.000 0.000 0.214 549 A C 1.924 179.570 177.584 0.103 0.000 1.187 549 A CA 0.694 52.706 52.037 -0.042 0.000 0.614 549 A CB -0.301 18.611 19.000 -0.146 0.000 0.826 549 A HN 0.093 nan 8.150 nan 0.000 0.442 550 I N -0.002 120.625 120.570 0.094 0.000 2.286 550 I HA -0.156 4.013 4.170 -0.000 0.000 0.248 550 I C 2.670 178.875 176.117 0.147 0.000 1.115 550 I CA 1.716 63.090 61.300 0.124 0.000 1.392 550 I CB -1.374 36.694 38.000 0.113 0.000 1.065 550 I HN 0.364 nan 8.210 nan 0.000 0.418 551 S N 0.698 116.485 115.700 0.146 0.000 2.359 551 S HA -0.249 4.220 4.470 -0.000 0.000 0.224 551 S C 1.911 176.631 174.600 0.200 0.000 1.035 551 S CA 2.020 60.313 58.200 0.154 0.000 1.018 551 S CB -0.270 63.019 63.200 0.147 0.000 0.876 551 S HN 0.506 nan 8.310 nan 0.000 0.448 552 D N 1.625 122.186 120.400 0.268 0.000 2.106 552 D HA -0.166 4.474 4.640 -0.000 0.000 0.191 552 D C 1.995 178.512 176.300 0.362 0.000 0.997 552 D CA 2.060 56.292 54.000 0.386 0.000 0.834 552 D CB -0.663 40.387 40.800 0.418 0.000 0.956 552 D HN 0.666 nan 8.370 nan 0.000 0.448 553 I N -1.953 118.774 120.570 0.261 0.000 2.394 553 I HA -0.165 4.005 4.170 -0.000 0.000 0.251 553 I C 1.927 178.178 176.117 0.223 0.000 1.136 553 I CA 0.679 62.118 61.300 0.233 0.000 1.425 553 I CB -0.327 37.786 38.000 0.187 0.000 1.079 553 I HN -0.072 nan 8.210 nan 0.000 0.425 554 I N 1.899 122.594 120.570 0.209 0.000 2.233 554 I HA -0.167 4.003 4.170 -0.000 0.000 0.243 554 I C 2.683 178.866 176.117 0.110 0.000 1.093 554 I CA 1.536 62.965 61.300 0.215 0.000 1.380 554 I CB -1.830 36.314 38.000 0.239 0.000 1.067 554 I HN 0.271 nan 8.210 nan 0.000 0.413 555 T N 1.317 115.916 114.554 0.073 0.000 2.652 555 T HA -0.166 4.184 4.350 -0.000 0.000 0.267 555 T C 1.825 176.415 174.700 -0.183 0.000 1.039 555 T CA 1.706 63.753 62.100 -0.087 0.000 1.153 555 T CB -0.381 68.397 68.868 -0.149 0.000 0.863 555 T HN 0.102 nan 8.240 nan 0.000 0.428 556 F N 1.026 120.977 119.950 0.001 0.000 2.293 556 F HA 0.172 4.699 4.527 -0.000 0.000 0.297 556 F C 2.583 178.388 175.800 0.008 0.000 1.089 556 F CA 0.622 58.619 58.000 -0.005 0.000 1.377 556 F CB -0.838 38.169 39.000 0.011 0.000 1.051 556 F HN 0.213 nan 8.300 nan 0.000 0.511 557 G N -0.100 108.812 108.800 0.187 0.000 2.433 557 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.216 557 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.216 557 G C 1.790 176.711 174.900 0.035 0.000 1.186 557 G CA 0.756 45.934 45.100 0.129 0.000 0.779 557 G HN 0.227 nan 8.290 nan 0.000 0.543 558 R N -0.192 120.266 120.500 -0.070 0.000 2.073 558 R HA -0.049 4.291 4.340 -0.000 0.000 0.234 558 R C 2.527 178.702 176.300 -0.209 0.000 1.134 558 R CA 1.582 57.514 56.100 -0.281 0.000 0.952 558 R CB -0.425 29.433 30.300 -0.737 0.000 0.850 558 R HN 0.363 nan 8.270 nan 0.000 0.433 559 L N 0.782 121.912 121.223 -0.154 0.000 2.017 559 L HA -0.078 4.262 4.340 -0.000 0.000 0.208 559 L C 2.278 179.108 176.870 -0.067 0.000 1.073 559 L CA 2.275 57.054 54.840 -0.102 0.000 0.745 559 L CB -0.732 41.256 42.059 -0.118 0.000 0.894 559 L HN 0.225 nan 8.230 nan 0.000 0.432 560 A N -0.355 122.449 122.820 -0.027 0.000 1.902 560 A HA -0.050 4.270 4.320 -0.000 0.000 0.217 560 A C 2.342 179.786 177.584 -0.233 0.000 1.181 560 A CA 1.539 53.526 52.037 -0.084 0.000 0.623 560 A CB -1.629 17.392 19.000 0.035 0.000 0.818 560 A HN 0.561 nan 8.150 nan 0.000 0.443 561 G N -0.604 108.120 108.800 -0.126 0.000 2.402 561 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.216 561 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.216 561 G C 1.450 176.280 174.900 -0.117 0.000 1.162 561 G CA 0.958 45.994 45.100 -0.107 0.000 0.777 561 G HN 0.650 nan 8.290 nan 0.000 0.539 562 E N 0.157 120.291 120.200 -0.110 0.000 2.047 562 E HA -0.083 4.267 4.350 -0.000 0.000 0.191 562 E C 2.512 179.062 176.600 -0.084 0.000 0.987 562 E CA 0.783 57.134 56.400 -0.082 0.000 0.799 562 E CB -0.012 29.637 29.700 -0.086 0.000 0.752 562 E HN 0.315 nan 8.360 nan 0.000 0.449 563 E N 0.575 120.702 120.200 -0.123 0.000 2.077 563 E HA -0.164 4.186 4.350 -0.000 0.000 0.193 563 E C 2.069 178.560 176.600 -0.182 0.000 0.989 563 E CA 0.992 57.338 56.400 -0.090 0.000 0.800 563 E CB -0.200 29.492 29.700 -0.012 0.000 0.746 563 E HN 0.211 nan 8.360 nan 0.000 0.452 564 A N 1.499 124.008 122.820 -0.519 0.000 1.933 564 A HA -0.071 4.249 4.320 -0.000 0.000 0.218 564 A C 2.421 179.982 177.584 -0.038 0.000 1.175 564 A CA 1.950 53.718 52.037 -0.448 0.000 0.628 564 A CB -0.511 18.152 19.000 -0.562 0.000 0.814 564 A HN 0.265 nan 8.150 nan 0.000 0.444 565 A N -0.266 122.526 122.820 -0.047 0.000 1.902 565 A HA -0.152 4.168 4.320 -0.000 0.000 0.217 565 A C 2.120 179.735 177.584 0.052 0.000 1.181 565 A CA 1.865 53.912 52.037 0.017 0.000 0.623 565 A CB -0.404 18.597 19.000 0.002 0.000 0.818 565 A HN 0.529 nan 8.150 nan 0.000 0.443 566 K N -1.807 118.625 120.400 0.054 0.000 2.057 566 K HA -0.144 4.176 4.320 -0.000 0.000 0.206 566 K C 1.967 178.635 176.600 0.114 0.000 1.050 566 K CA 1.661 57.990 56.287 0.070 0.000 0.935 566 K CB -0.380 32.160 32.500 0.068 0.000 0.715 566 K HN 0.612 nan 8.250 nan 0.000 0.439 567 Y N 1.693 122.023 120.300 0.050 0.000 2.128 567 Y HA -0.173 4.377 4.550 -0.000 0.000 0.284 567 Y C 1.540 177.483 175.900 0.071 0.000 1.154 567 Y CA 1.292 59.447 58.100 0.091 0.000 1.149 567 Y CB -0.260 38.312 38.460 0.186 0.000 0.976 567 Y HN -0.042 nan 8.280 nan 0.000 0.505 568 S N 0.000 115.809 115.700 0.182 0.000 2.498 568 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 568 S CA 0.000 58.248 58.200 0.080 0.000 1.107 568 S CB 0.000 63.281 63.200 0.134 0.000 0.593 568 S HN 0.000 nan 8.310 nan 0.000 0.517