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 1w7l_1_A DATA FIRST_RESID 4 DATA SEQUENCE QLQARRLDGI DYNPWVEFVK LASEHDVVNL GQGFPDFPPP DFAVEAFQHA DATA SEQUENCE VSGDFMLNQY TKTFGYPPLT KILASFFGEL LGQEIDPLRN VLVTVGGYGA DATA SEQUENCE LFTAFQALVD EGDEVIIIEP FFDCYEPMTM MAGGRPVFVS LKPGPXXXGE DATA SEQUENCE LGSSSNWQLD PMELAGKFTS RTKALVLNTP NNPLGKVFSR EELELVASLC DATA SEQUENCE QQHDVVCITD EVYQWMVYDG HQHISIASLP GMWERTLTIG SAGXTFSATG DATA SEQUENCE WKVGWVLGPD HIMKHLRTVH QNSVFHCPTQ SQAAVAESFE REQLLFRQPS DATA SEQUENCE SYFVQFPQAM QRCRDHMIRS LQSVGLKPLI PQGSYFLITD ISDFKRKMPD DATA SEQUENCE LPGAVDEPYD RRFVKWMIKN KGLVAIPVSI FYSVPHQKHF DHYIRFCFVK DATA SEQUENCE DEATLQAMDE KLRKWKVE 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 4 Q HA 0.000 nan 4.340 nan 0.000 0.214 4 Q C 0.000 176.006 176.000 0.010 0.000 1.003 4 Q CA 0.000 55.809 55.803 0.009 0.000 1.022 4 Q CB 0.000 28.743 28.738 0.008 0.000 1.108 5 L N 3.109 124.338 121.223 0.010 0.000 2.017 5 L HA -0.017 4.323 4.340 -0.000 0.000 0.208 5 L C 1.164 178.041 176.870 0.013 0.000 1.073 5 L CA 1.878 56.724 54.840 0.010 0.000 0.745 5 L CB -0.361 41.703 42.059 0.010 0.000 0.894 5 L HN 0.311 nan 8.230 nan 0.000 0.432 6 Q N 0.823 120.631 119.800 0.014 0.000 2.260 6 Q HA 0.414 4.754 4.340 -0.000 0.000 0.238 6 Q C -0.172 175.839 176.000 0.019 0.000 0.948 6 Q CA -0.100 55.713 55.803 0.017 0.000 0.895 6 Q CB 0.779 29.528 28.738 0.018 0.000 1.218 6 Q HN 0.321 nan 8.270 nan 0.000 0.470 7 A N 2.047 124.880 122.820 0.022 0.000 2.445 7 A HA 0.144 4.464 4.320 -0.000 0.000 0.242 7 A C 1.023 178.621 177.584 0.023 0.000 1.075 7 A CA -0.221 51.831 52.037 0.024 0.000 0.777 7 A CB 0.186 19.204 19.000 0.030 0.000 1.013 7 A HN 0.866 nan 8.150 nan 0.000 0.493 8 R N 0.577 121.090 120.500 0.021 0.000 2.152 8 R HA -0.161 4.179 4.340 -0.000 0.000 0.232 8 R C 2.143 178.457 176.300 0.022 0.000 1.117 8 R CA 1.687 57.798 56.100 0.019 0.000 0.981 8 R CB -0.251 30.058 30.300 0.015 0.000 0.870 8 R HN 0.888 nan 8.270 nan 0.000 0.451 9 R N 0.976 121.492 120.500 0.027 0.000 2.249 9 R HA -0.118 4.222 4.340 -0.000 0.000 0.230 9 R C 1.383 177.705 176.300 0.037 0.000 1.121 9 R CA 1.256 57.374 56.100 0.031 0.000 0.997 9 R CB -0.444 29.881 30.300 0.041 0.000 0.867 9 R HN 0.262 nan 8.270 nan 0.000 0.465 10 L N 1.057 122.301 121.223 0.035 0.000 2.558 10 L HA 0.111 4.451 4.340 -0.000 0.000 0.225 10 L C -0.157 176.734 176.870 0.034 0.000 1.128 10 L CA -0.211 54.651 54.840 0.037 0.000 0.868 10 L CB -0.350 41.729 42.059 0.034 0.000 1.006 10 L HN 0.068 nan 8.230 nan 0.000 0.454 11 D N 1.555 121.972 120.400 0.029 0.000 2.472 11 D HA 0.174 4.814 4.640 -0.000 0.000 0.248 11 D C 1.327 177.645 176.300 0.031 0.000 1.174 11 D CA 1.295 55.311 54.000 0.026 0.000 0.883 11 D CB 0.961 41.773 40.800 0.020 0.000 1.149 11 D HN 0.297 nan 8.370 nan 0.000 0.488 12 G N 2.461 111.282 108.800 0.035 0.000 2.162 12 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.260 12 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.260 12 G C 0.850 175.786 174.900 0.061 0.000 0.976 12 G CA 0.596 45.721 45.100 0.043 0.000 0.655 12 G HN 0.681 nan 8.290 nan 0.000 0.533 13 I N -2.163 118.444 120.570 0.061 0.000 4.081 13 I HA 0.323 4.493 4.170 -0.000 0.000 0.333 13 I C 1.462 177.624 176.117 0.075 0.000 1.413 13 I CA 0.525 61.866 61.300 0.068 0.000 1.110 13 I CB 0.166 38.197 38.000 0.052 0.000 1.082 13 I HN 0.055 nan 8.210 nan 0.000 0.402 14 D N 0.797 121.248 120.400 0.086 0.000 2.289 14 D HA -0.171 4.469 4.640 -0.000 0.000 0.207 14 D C 0.486 176.859 176.300 0.122 0.000 0.966 14 D CA 0.264 54.315 54.000 0.085 0.000 0.868 14 D CB -0.144 40.700 40.800 0.074 0.000 0.943 14 D HN 0.456 nan 8.370 nan 0.000 0.514 15 Y N 1.708 122.016 120.300 0.013 0.000 2.335 15 Y HA 0.327 4.877 4.550 -0.000 0.000 0.331 15 Y C -0.523 175.390 175.900 0.022 0.000 1.094 15 Y CA -0.860 57.246 58.100 0.010 0.000 1.253 15 Y CB 0.744 39.202 38.460 -0.003 0.000 1.203 15 Y HN -0.275 nan 8.280 nan 0.000 0.508 16 N N 7.534 125.873 118.700 -0.601 0.000 2.511 16 N HA 0.370 5.110 4.740 -0.000 0.000 0.249 16 N C -2.304 172.776 175.510 -0.717 0.000 0.971 16 N CA -2.223 50.582 53.050 -0.409 0.000 0.938 16 N CB 1.650 40.076 38.487 -0.103 0.000 1.131 16 N HN 0.318 nan 8.380 nan 0.000 0.505 17 P HA 0.012 nan 4.420 nan 0.000 0.230 17 P C 0.540 177.725 177.300 -0.191 0.000 1.158 17 P CA 0.663 63.520 63.100 -0.405 0.000 0.769 17 P CB 0.146 31.663 31.700 -0.304 0.000 0.807 18 W N 0.012 121.244 121.300 -0.113 0.000 2.353 18 W HA -0.182 4.478 4.660 -0.000 0.000 0.319 18 W C 2.254 178.798 176.519 0.042 0.000 1.207 18 W CA 0.725 58.072 57.345 0.004 0.000 1.291 18 W CB -1.559 27.874 29.460 -0.045 0.000 1.159 18 W HN -0.263 nan 8.180 nan 0.000 0.478 19 V N 0.414 120.426 119.914 0.165 0.000 2.233 19 V HA -0.434 3.686 4.120 -0.000 0.000 0.252 19 V C 1.990 178.107 176.094 0.038 0.000 1.063 19 V CA 2.418 64.763 62.300 0.075 0.000 1.032 19 V CB -1.561 30.256 31.823 -0.009 0.000 0.645 19 V HN 0.308 nan 8.190 nan 0.000 0.446 20 E N -0.071 120.091 120.200 -0.064 0.000 2.108 20 E HA -0.271 4.078 4.350 -0.000 0.000 0.203 20 E C 1.985 178.443 176.600 -0.237 0.000 1.022 20 E CA 2.377 58.650 56.400 -0.212 0.000 0.823 20 E CB -0.235 29.217 29.700 -0.414 0.000 0.744 20 E HN 0.680 nan 8.360 nan 0.000 0.456 21 F N -0.384 119.582 119.950 0.026 0.000 2.187 21 F HA -0.108 4.419 4.527 -0.000 0.000 0.295 21 F C 2.326 178.162 175.800 0.059 0.000 1.091 21 F CA 0.560 58.578 58.000 0.030 0.000 1.308 21 F CB -0.276 38.734 39.000 0.017 0.000 1.030 21 F HN -0.067 nan 8.300 nan 0.000 0.487 22 V N 0.258 120.332 119.914 0.267 0.000 2.490 22 V HA -0.279 3.841 4.120 -0.000 0.000 0.250 22 V C 2.462 178.626 176.094 0.117 0.000 1.061 22 V CA 1.692 64.104 62.300 0.186 0.000 1.064 22 V CB -0.642 31.284 31.823 0.173 0.000 0.670 22 V HN 0.273 nan 8.190 nan 0.000 0.461 23 K N 0.017 120.467 120.400 0.083 0.000 2.062 23 K HA -0.122 4.198 4.320 -0.000 0.000 0.205 23 K C 2.171 178.805 176.600 0.057 0.000 1.051 23 K CA 1.350 57.666 56.287 0.048 0.000 0.941 23 K CB -0.245 32.264 32.500 0.015 0.000 0.719 23 K HN 0.385 nan 8.250 nan 0.000 0.440 24 L N 1.131 122.391 121.223 0.061 0.000 2.093 24 L HA -0.070 4.270 4.340 -0.000 0.000 0.208 24 L C 2.245 179.217 176.870 0.171 0.000 1.085 24 L CA 1.797 56.698 54.840 0.101 0.000 0.755 24 L CB -0.519 41.565 42.059 0.042 0.000 0.904 24 L HN 0.172 nan 8.230 nan 0.000 0.435 25 A N -1.099 121.802 122.820 0.135 0.000 1.933 25 A HA -0.200 4.120 4.320 -0.000 0.000 0.218 25 A C 2.456 180.111 177.584 0.118 0.000 1.175 25 A CA 1.767 53.877 52.037 0.123 0.000 0.628 25 A CB -0.991 18.076 19.000 0.113 0.000 0.814 25 A HN 0.615 nan 8.150 nan 0.000 0.444 26 S N 0.682 116.439 115.700 0.094 0.000 2.447 26 S HA -0.126 4.344 4.470 -0.000 0.000 0.233 26 S C 1.189 175.809 174.600 0.032 0.000 1.006 26 S CA 1.028 59.265 58.200 0.061 0.000 0.957 26 S CB -0.427 62.802 63.200 0.049 0.000 0.773 26 S HN 0.791 nan 8.310 nan 0.000 0.507 27 E N 0.522 120.739 120.200 0.028 0.000 2.423 27 E HA 0.244 4.594 4.350 -0.000 0.000 0.198 27 E C -0.361 176.065 176.600 -0.290 0.000 1.038 27 E CA -0.484 55.858 56.400 -0.096 0.000 1.011 27 E CB -0.077 29.553 29.700 -0.117 0.000 1.118 27 E HN 0.574 nan 8.360 nan 0.000 0.451 28 H N 0.197 119.256 119.070 -0.019 0.000 3.008 28 H HA 0.167 4.723 4.556 -0.000 0.000 0.354 28 H C -1.292 174.021 175.328 -0.025 0.000 1.252 28 H CA -0.790 55.238 56.048 -0.033 0.000 1.117 28 H CB 1.960 31.692 29.762 -0.051 0.000 1.857 28 H HN 0.124 nan 8.280 nan 0.000 0.547 29 D N 2.378 122.840 120.400 0.103 0.000 2.336 29 D HA 0.271 4.911 4.640 -0.000 0.000 0.249 29 D C -0.414 175.912 176.300 0.042 0.000 1.213 29 D CA -0.083 53.948 54.000 0.052 0.000 0.870 29 D CB 0.529 41.345 40.800 0.027 0.000 1.076 29 D HN 0.315 nan 8.370 nan 0.000 0.483 30 V N 0.940 120.878 119.914 0.040 0.000 3.078 30 V HA 0.538 4.658 4.120 -0.000 0.000 0.311 30 V C -0.482 175.634 176.094 0.037 0.000 1.138 30 V CA -0.971 61.345 62.300 0.028 0.000 1.007 30 V CB 1.791 33.633 31.823 0.031 0.000 1.045 30 V HN 0.164 nan 8.190 nan 0.000 0.432 31 V N 2.822 122.761 119.914 0.042 0.000 2.364 31 V HA 0.410 4.530 4.120 -0.000 0.000 0.272 31 V C 0.201 176.332 176.094 0.063 0.000 1.036 31 V CA -0.292 62.041 62.300 0.055 0.000 0.880 31 V CB 0.996 32.860 31.823 0.069 0.000 0.991 31 V HN 0.932 nan 8.190 nan 0.000 0.460 32 N N 5.051 123.779 118.700 0.046 0.000 2.521 32 N HA 0.300 5.040 4.740 -0.000 0.000 0.236 32 N C 0.220 175.748 175.510 0.030 0.000 1.067 32 N CA -0.134 52.938 53.050 0.036 0.000 0.939 32 N CB 0.977 39.476 38.487 0.020 0.000 1.201 32 N HN 0.662 nan 8.380 nan 0.000 0.511 33 L N 1.467 122.741 121.223 0.084 0.000 2.700 33 L HA 0.322 4.662 4.340 -0.000 0.000 0.234 33 L C 1.877 178.803 176.870 0.093 0.000 1.156 33 L CA -0.145 54.774 54.840 0.131 0.000 0.946 33 L CB 0.499 42.762 42.059 0.340 0.000 1.216 33 L HN 0.441 nan 8.230 nan 0.000 0.493 34 G N -0.913 107.913 108.800 0.044 0.000 2.603 34 G HA2 -0.023 3.937 3.960 -0.000 0.000 0.214 34 G HA3 -0.023 3.937 3.960 -0.000 0.000 0.214 34 G C 0.677 175.653 174.900 0.126 0.000 1.140 34 G CA -0.202 44.940 45.100 0.069 0.000 0.800 34 G HN 0.298 nan 8.290 nan 0.000 0.533 35 Q N 0.544 120.342 119.800 -0.003 0.000 2.297 35 Q HA 0.383 4.723 4.340 -0.000 0.000 0.267 35 Q C 0.707 176.634 176.000 -0.122 0.000 1.006 35 Q CA -0.207 55.495 55.803 -0.168 0.000 0.896 35 Q CB 1.363 29.728 28.738 -0.620 0.000 1.186 35 Q HN 0.162 nan 8.270 nan 0.000 0.392 36 G N 3.699 112.612 108.800 0.187 0.000 3.639 36 G HA2 0.348 4.307 3.960 -0.000 0.000 0.279 36 G HA3 0.348 4.307 3.960 -0.000 0.000 0.279 36 G C -0.528 174.684 174.900 0.519 0.000 1.312 36 G CA -0.087 45.333 45.100 0.533 0.000 1.355 36 G HN 0.522 nan 8.290 nan 0.000 0.595 37 F N -2.847 117.197 119.950 0.156 0.000 2.631 37 F HA 0.705 5.232 4.527 -0.000 0.000 0.308 37 F C -3.112 172.558 175.800 -0.217 0.000 1.097 37 F CA -3.589 54.429 58.000 0.031 0.000 0.952 37 F CB 0.708 39.739 39.000 0.052 0.000 1.307 37 F HN -0.221 nan 8.300 nan 0.000 0.450 38 P HA 0.133 nan 4.420 nan 0.000 0.268 38 P C -0.435 176.635 177.300 -0.383 0.000 1.205 38 P CA 0.069 62.773 63.100 -0.661 0.000 0.771 38 P CB 0.564 31.618 31.700 -1.077 0.000 0.858 39 D N 2.047 122.226 120.400 -0.370 0.000 2.615 39 D HA 0.137 4.777 4.640 -0.000 0.000 0.236 39 D C -0.292 176.029 176.300 0.036 0.000 1.233 39 D CA -0.329 53.627 54.000 -0.072 0.000 0.829 39 D CB -0.849 39.950 40.800 -0.001 0.000 1.024 39 D HN 0.256 nan 8.370 nan 0.000 0.490 40 F N -1.919 118.082 119.950 0.086 0.000 2.640 40 F HA 0.822 5.349 4.527 -0.000 0.000 0.324 40 F C -2.822 173.012 175.800 0.057 0.000 1.077 40 F CA -3.012 55.033 58.000 0.074 0.000 0.965 40 F CB -0.291 38.761 39.000 0.088 0.000 1.351 40 F HN -0.386 nan 8.300 nan 0.000 0.487 41 P HA 0.341 nan 4.420 nan 0.000 0.272 41 P C -2.614 174.766 177.300 0.133 0.000 1.230 41 P CA -0.831 62.358 63.100 0.147 0.000 0.788 41 P CB 0.023 31.793 31.700 0.116 0.000 0.949 42 P HA 0.153 nan 4.420 nan 0.000 0.271 42 P C -2.297 174.869 177.300 -0.223 0.000 1.244 42 P CA -1.117 61.862 63.100 -0.201 0.000 0.793 42 P CB -1.187 30.303 31.700 -0.351 0.000 0.984 43 P HA -0.007 nan 4.420 nan 0.000 0.269 43 P C 0.136 177.211 177.300 -0.374 0.000 1.215 43 P CA 0.185 63.045 63.100 -0.401 0.000 0.780 43 P CB 0.582 31.814 31.700 -0.780 0.000 0.898 44 D N 1.312 121.640 120.400 -0.120 0.000 2.133 44 D HA -0.191 4.449 4.640 -0.000 0.000 0.195 44 D C 1.648 177.892 176.300 -0.093 0.000 0.997 44 D CA 1.522 55.486 54.000 -0.061 0.000 0.840 44 D CB -0.743 40.077 40.800 0.034 0.000 0.947 44 D HN 0.562 nan 8.370 nan 0.000 0.452 45 F N 0.208 120.080 119.950 -0.130 0.000 2.216 45 F HA 0.002 4.529 4.527 -0.000 0.000 0.300 45 F C 2.090 177.777 175.800 -0.189 0.000 1.085 45 F CA 1.015 58.924 58.000 -0.152 0.000 1.326 45 F CB -0.612 38.288 39.000 -0.166 0.000 1.027 45 F HN -0.065 nan 8.300 nan 0.000 0.497 46 A N 1.176 123.398 122.820 -0.996 0.000 1.854 46 A HA 0.000 4.320 4.320 -0.000 0.000 0.214 46 A C 2.312 179.862 177.584 -0.057 0.000 1.192 46 A CA 1.614 53.234 52.037 -0.695 0.000 0.611 46 A CB -1.307 17.072 19.000 -1.035 0.000 0.832 46 A HN 0.262 nan 8.150 nan 0.000 0.442 47 V N 0.388 120.258 119.914 -0.074 0.000 2.287 47 V HA -0.311 3.808 4.120 -0.000 0.000 0.248 47 V C 2.439 178.515 176.094 -0.030 0.000 1.053 47 V CA 2.477 64.824 62.300 0.079 0.000 1.027 47 V CB -0.913 30.915 31.823 0.008 0.000 0.646 47 V HN 0.646 nan 8.190 nan 0.000 0.447 48 E N -0.010 120.100 120.200 -0.150 0.000 2.110 48 E HA -0.187 4.163 4.350 -0.000 0.000 0.193 48 E C 2.322 178.550 176.600 -0.620 0.000 0.988 48 E CA 1.233 57.416 56.400 -0.361 0.000 0.804 48 E CB -0.366 29.169 29.700 -0.276 0.000 0.745 48 E HN 0.615 nan 8.360 nan 0.000 0.458 49 A N 0.854 123.500 122.820 -0.290 0.000 1.908 49 A HA -0.205 4.115 4.320 -0.000 0.000 0.218 49 A C 1.987 179.512 177.584 -0.099 0.000 1.181 49 A CA 1.123 53.067 52.037 -0.156 0.000 0.627 49 A CB -0.808 18.151 19.000 -0.068 0.000 0.818 49 A HN 0.355 nan 8.150 nan 0.000 0.445 50 F N -0.001 119.775 119.950 -0.290 0.000 2.146 50 F HA -0.218 4.309 4.527 -0.000 0.000 0.298 50 F C 2.764 178.416 175.800 -0.246 0.000 1.096 50 F CA 1.311 59.087 58.000 -0.373 0.000 1.275 50 F CB -0.073 38.613 39.000 -0.523 0.000 1.008 50 F HN 0.302 nan 8.300 nan 0.000 0.480 51 Q N -0.536 119.235 119.800 -0.048 0.000 2.112 51 Q HA -0.285 4.055 4.340 -0.000 0.000 0.206 51 Q C 1.726 177.739 176.000 0.022 0.000 0.987 51 Q CA 2.217 57.965 55.803 -0.092 0.000 0.858 51 Q CB -0.430 28.233 28.738 -0.125 0.000 0.905 51 Q HN 0.648 nan 8.270 nan 0.000 0.420 52 H N -0.690 118.390 119.070 0.017 0.000 2.389 52 H HA -0.044 4.512 4.556 -0.000 0.000 0.299 52 H C 2.062 177.395 175.328 0.008 0.000 1.081 52 H CA 0.455 56.509 56.048 0.010 0.000 1.345 52 H CB 0.069 29.838 29.762 0.012 0.000 1.393 52 H HN 0.314 nan 8.280 nan 0.000 0.520 53 A N 0.998 123.897 122.820 0.132 0.000 1.969 53 A HA -0.102 4.218 4.320 -0.000 0.000 0.218 53 A C 2.286 179.899 177.584 0.047 0.000 1.169 53 A CA 1.538 53.613 52.037 0.063 0.000 0.635 53 A CB -0.549 18.463 19.000 0.020 0.000 0.810 53 A HN 0.342 nan 8.150 nan 0.000 0.445 54 V N -1.995 117.944 119.914 0.042 0.000 3.596 54 V HA 0.220 4.340 4.120 -0.000 0.000 0.289 54 V C 1.033 177.126 176.094 -0.002 0.000 1.336 54 V CA 1.245 63.538 62.300 -0.012 0.000 1.137 54 V CB -0.422 31.337 31.823 -0.107 0.000 0.966 54 V HN 0.673 nan 8.190 nan 0.000 0.428 55 S N -1.572 114.146 115.700 0.031 0.000 2.900 55 S HA 0.543 5.013 4.470 -0.000 0.000 0.253 55 S C 0.897 175.524 174.600 0.046 0.000 1.029 55 S CA 0.253 58.475 58.200 0.037 0.000 1.096 55 S CB 0.434 63.659 63.200 0.041 0.000 1.067 55 S HN 0.764 nan 8.310 nan 0.000 0.610 56 G N 1.267 110.094 108.800 0.045 0.000 3.022 56 G HA2 0.349 4.309 3.960 -0.000 0.000 0.157 56 G HA3 0.349 4.309 3.960 -0.000 0.000 0.157 56 G C -0.722 174.198 174.900 0.033 0.000 1.468 56 G CA -0.405 44.715 45.100 0.033 0.000 1.058 56 G HN 0.323 nan 8.290 nan 0.000 0.581 57 D N 0.401 120.796 120.400 -0.008 0.000 2.570 57 D HA -0.059 4.581 4.640 -0.000 0.000 0.243 57 D C 1.577 177.822 176.300 -0.091 0.000 1.171 57 D CA -0.297 53.651 54.000 -0.087 0.000 0.879 57 D CB 0.175 40.899 40.800 -0.126 0.000 1.143 57 D HN 0.194 nan 8.370 nan 0.000 0.511 58 F N 3.118 123.067 119.950 -0.002 0.000 2.250 58 F HA -0.152 4.375 4.527 -0.000 0.000 0.301 58 F C 1.731 177.522 175.800 -0.015 0.000 1.077 58 F CA 0.532 58.524 58.000 -0.013 0.000 1.348 58 F CB -0.601 38.389 39.000 -0.016 0.000 1.040 58 F HN 0.229 nan 8.300 nan 0.000 0.509 59 M N 0.849 120.132 119.600 -0.528 0.000 2.557 59 M HA 0.023 4.503 4.480 -0.000 0.000 0.259 59 M C 1.898 178.135 176.300 -0.105 0.000 1.086 59 M CA 0.787 55.912 55.300 -0.291 0.000 1.096 59 M CB -1.159 31.198 32.600 -0.405 0.000 1.424 59 M HN 0.390 nan 8.290 nan 0.000 0.488 60 L N -0.162 121.008 121.223 -0.088 0.000 2.456 60 L HA -0.172 4.168 4.340 -0.000 0.000 0.224 60 L C 1.721 178.560 176.870 -0.051 0.000 1.148 60 L CA 0.438 55.240 54.840 -0.064 0.000 0.825 60 L CB -0.653 41.359 42.059 -0.078 0.000 0.937 60 L HN 0.352 nan 8.230 nan 0.000 0.450 61 N N -0.814 117.874 118.700 -0.021 0.000 2.463 61 N HA -0.017 4.723 4.740 -0.000 0.000 0.181 61 N C 0.560 176.030 175.510 -0.066 0.000 1.078 61 N CA 0.496 53.531 53.050 -0.025 0.000 0.902 61 N CB 0.322 38.817 38.487 0.013 0.000 0.970 61 N HN 0.374 nan 8.380 nan 0.000 0.451 62 Q N -0.300 119.462 119.800 -0.062 0.000 2.194 62 Q HA 0.264 4.604 4.340 -0.000 0.000 0.245 62 Q C -0.184 175.781 176.000 -0.058 0.000 0.993 62 Q CA -0.732 54.998 55.803 -0.121 0.000 0.930 62 Q CB 0.256 28.953 28.738 -0.069 0.000 1.238 62 Q HN 0.171 nan 8.270 nan 0.000 0.486 63 Y N 0.186 120.438 120.300 -0.079 0.000 2.805 63 Y HA -0.064 4.486 4.550 -0.000 0.000 0.337 63 Y C 1.454 177.370 175.900 0.027 0.000 1.252 63 Y CA 0.560 58.592 58.100 -0.113 0.000 1.515 63 Y CB 0.497 38.849 38.460 -0.180 0.000 1.305 63 Y HN 0.478 nan 8.280 nan 0.000 0.600 64 T N 2.456 117.178 114.554 0.279 0.000 2.898 64 T HA 0.273 4.623 4.350 -0.000 0.000 0.283 64 T C -0.213 174.651 174.700 0.273 0.000 1.059 64 T CA -1.026 61.236 62.100 0.270 0.000 0.958 64 T CB 0.548 69.609 68.868 0.321 0.000 1.594 64 T HN 0.317 nan 8.240 nan 0.000 0.598 65 K N 1.900 122.422 120.400 0.203 0.000 2.326 65 K HA 0.130 4.450 4.320 -0.000 0.000 0.275 65 K C 1.345 177.966 176.600 0.034 0.000 1.018 65 K CA 0.090 56.435 56.287 0.097 0.000 0.962 65 K CB 1.040 33.571 32.500 0.052 0.000 0.953 65 K HN 0.776 nan 8.250 nan 0.000 0.475 66 T N 1.453 115.882 114.554 -0.208 0.000 2.665 66 T HA -0.148 4.202 4.350 -0.000 0.000 0.268 66 T C 1.074 175.562 174.700 -0.353 0.000 1.035 66 T CA 1.649 63.449 62.100 -0.500 0.000 1.151 66 T CB -0.084 68.045 68.868 -1.232 0.000 0.862 66 T HN 0.430 nan 8.240 nan 0.000 0.438 67 F N 1.073 120.985 119.950 -0.063 0.000 2.765 67 F HA 0.548 5.075 4.527 -0.000 0.000 0.302 67 F C 1.357 177.120 175.800 -0.062 0.000 1.111 67 F CA -0.165 57.752 58.000 -0.139 0.000 1.359 67 F CB -0.037 38.883 39.000 -0.133 0.000 1.097 67 F HN 0.395 nan 8.300 nan 0.000 0.577 68 G N -0.895 107.989 108.800 0.140 0.000 2.318 68 G HA2 0.085 4.045 3.960 -0.000 0.000 0.302 68 G HA3 0.085 4.045 3.960 -0.000 0.000 0.302 68 G C -1.829 173.186 174.900 0.191 0.000 1.633 68 G CA -1.327 43.877 45.100 0.173 0.000 0.965 68 G HN -0.114 nan 8.290 nan 0.000 0.698 69 Y N 3.818 124.176 120.300 0.096 0.000 2.713 69 Y HA 0.346 4.896 4.550 -0.000 0.000 0.341 69 Y C -1.108 174.829 175.900 0.062 0.000 1.167 69 Y CA -1.040 57.106 58.100 0.076 0.000 1.503 69 Y CB 1.009 39.511 38.460 0.071 0.000 1.199 69 Y HN 0.340 nan 8.280 nan 0.000 0.525 70 P HA -0.151 nan 4.420 nan 0.000 0.216 70 P C -1.355 175.777 177.300 -0.280 0.000 1.153 70 P CA 1.803 64.770 63.100 -0.221 0.000 0.858 70 P CB -0.561 31.029 31.700 -0.182 0.000 0.789 71 P HA -0.139 nan 4.420 nan 0.000 0.219 71 P C 1.559 178.813 177.300 -0.077 0.000 1.146 71 P CA 0.841 63.772 63.100 -0.281 0.000 0.808 71 P CB -0.371 31.122 31.700 -0.344 0.000 0.779 72 L N -0.125 121.101 121.223 0.005 0.000 2.044 72 L HA -0.079 4.261 4.340 -0.000 0.000 0.205 72 L C 2.163 179.062 176.870 0.048 0.000 1.075 72 L CA 2.523 57.446 54.840 0.140 0.000 0.747 72 L CB -1.889 40.342 42.059 0.286 0.000 0.903 72 L HN 0.033 nan 8.230 nan 0.000 0.435 73 T N -2.983 111.588 114.554 0.028 0.000 2.833 73 T HA -0.231 4.119 4.350 -0.000 0.000 0.269 73 T C 1.976 176.665 174.700 -0.018 0.000 1.054 73 T CA 1.490 63.594 62.100 0.007 0.000 1.135 73 T CB -0.449 68.436 68.868 0.028 0.000 0.869 73 T HN 0.347 nan 8.240 nan 0.000 0.466 74 K N 0.456 120.837 120.400 -0.031 0.000 1.991 74 K HA -0.098 4.222 4.320 -0.000 0.000 0.212 74 K C 2.240 178.822 176.600 -0.029 0.000 1.049 74 K CA 1.676 57.943 56.287 -0.034 0.000 0.932 74 K CB -0.402 32.069 32.500 -0.049 0.000 0.717 74 K HN 0.303 nan 8.250 nan 0.000 0.441 75 I N 1.482 122.036 120.570 -0.027 0.000 2.394 75 I HA -0.190 3.980 4.170 -0.000 0.000 0.251 75 I C 1.771 177.843 176.117 -0.075 0.000 1.136 75 I CA 1.087 62.366 61.300 -0.034 0.000 1.425 75 I CB -0.081 37.919 38.000 0.001 0.000 1.079 75 I HN 0.234 nan 8.210 nan 0.000 0.425 76 L N 0.081 121.240 121.223 -0.108 0.000 1.994 76 L HA -0.203 4.137 4.340 -0.000 0.000 0.208 76 L C 2.678 179.560 176.870 0.020 0.000 1.071 76 L CA 1.545 56.312 54.840 -0.120 0.000 0.745 76 L CB -1.057 40.846 42.059 -0.259 0.000 0.892 76 L HN 0.284 nan 8.230 nan 0.000 0.431 77 A N -0.715 122.102 122.820 -0.006 0.000 1.902 77 A HA -0.245 4.075 4.320 -0.000 0.000 0.217 77 A C 2.544 180.125 177.584 -0.004 0.000 1.181 77 A CA 2.192 54.234 52.037 0.009 0.000 0.623 77 A CB -0.666 18.333 19.000 -0.002 0.000 0.818 77 A HN 0.463 nan 8.150 nan 0.000 0.443 78 S N -1.665 114.030 115.700 -0.009 0.000 2.345 78 S HA -0.103 4.367 4.470 -0.000 0.000 0.219 78 S C 1.856 176.456 174.600 0.000 0.000 1.031 78 S CA 1.455 59.649 58.200 -0.011 0.000 0.984 78 S CB -0.537 62.658 63.200 -0.009 0.000 0.874 78 S HN 0.507 nan 8.310 nan 0.000 0.451 79 F N 1.385 121.200 119.950 -0.225 0.000 2.113 79 F HA 0.164 4.691 4.527 -0.000 0.000 0.297 79 F C 1.659 177.209 175.800 -0.418 0.000 1.103 79 F CA 0.976 58.751 58.000 -0.374 0.000 1.248 79 F CB -0.859 37.830 39.000 -0.518 0.000 0.999 79 F HN 0.273 nan 8.300 nan 0.000 0.475 80 F N 0.393 120.199 119.950 -0.240 0.000 2.325 80 F HA 0.086 4.613 4.527 -0.000 0.000 0.299 80 F C 2.668 178.351 175.800 -0.195 0.000 1.090 80 F CA 1.064 58.901 58.000 -0.272 0.000 1.392 80 F CB -1.371 37.520 39.000 -0.181 0.000 1.053 80 F HN 0.041 nan 8.300 nan 0.000 0.521 81 G N -0.251 108.534 108.800 -0.026 0.000 2.469 81 G HA2 -0.350 3.610 3.960 -0.000 0.000 0.219 81 G HA3 -0.350 3.610 3.960 -0.000 0.000 0.219 81 G C 1.542 176.372 174.900 -0.117 0.000 1.150 81 G CA 1.286 46.328 45.100 -0.096 0.000 0.763 81 G HN 0.341 nan 8.290 nan 0.000 0.561 82 E N 0.455 120.575 120.200 -0.133 0.000 2.072 82 E HA -0.008 4.342 4.350 -0.000 0.000 0.191 82 E C 2.505 179.025 176.600 -0.134 0.000 0.985 82 E CA 0.681 57.006 56.400 -0.124 0.000 0.801 82 E CB -0.461 29.166 29.700 -0.121 0.000 0.750 82 E HN 0.439 nan 8.360 nan 0.000 0.452 83 L N -0.072 121.016 121.223 -0.226 0.000 2.141 83 L HA -0.084 4.256 4.340 -0.000 0.000 0.209 83 L C 2.137 178.979 176.870 -0.046 0.000 1.094 83 L CA 0.792 55.534 54.840 -0.162 0.000 0.763 83 L CB -0.228 41.667 42.059 -0.275 0.000 0.908 83 L HN 0.212 nan 8.230 nan 0.000 0.437 84 L N -0.684 120.518 121.223 -0.035 0.000 2.585 84 L HA 0.217 4.557 4.340 -0.000 0.000 0.226 84 L C 1.208 178.047 176.870 -0.051 0.000 1.113 84 L CA 0.241 55.075 54.840 -0.011 0.000 0.876 84 L CB -0.303 41.769 42.059 0.021 0.000 1.072 84 L HN 0.404 nan 8.230 nan 0.000 0.468 85 G N 1.458 110.215 108.800 -0.072 0.000 2.338 85 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.296 85 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.296 85 G C -0.159 174.651 174.900 -0.149 0.000 1.040 85 G CA 0.519 45.568 45.100 -0.085 0.000 1.004 85 G HN 0.421 nan 8.290 nan 0.000 0.509 86 Q N -0.497 119.171 119.800 -0.220 0.000 2.359 86 Q HA 0.574 4.914 4.340 -0.000 0.000 0.274 86 Q C -0.638 175.138 176.000 -0.373 0.000 1.074 86 Q CA -0.816 54.749 55.803 -0.397 0.000 0.810 86 Q CB 1.201 29.534 28.738 -0.675 0.000 1.342 86 Q HN 0.148 nan 8.270 nan 0.000 0.427 87 E N 3.515 123.489 120.200 -0.377 0.000 2.180 87 E HA 0.263 4.613 4.350 -0.000 0.000 0.283 87 E C -0.527 175.887 176.600 -0.311 0.000 1.061 87 E CA 0.112 56.353 56.400 -0.266 0.000 0.861 87 E CB 0.372 29.963 29.700 -0.182 0.000 1.056 87 E HN 0.548 nan 8.360 nan 0.000 0.407 88 I N 2.493 122.942 120.570 -0.202 0.000 2.362 88 I HA 0.114 4.284 4.170 -0.000 0.000 0.289 88 I C 0.133 176.235 176.117 -0.025 0.000 0.994 88 I CA -0.901 60.336 61.300 -0.105 0.000 1.158 88 I CB 1.466 39.434 38.000 -0.054 0.000 1.315 88 I HN 0.235 nan 8.210 nan 0.000 0.451 89 D N 8.511 128.922 120.400 0.019 0.000 2.295 89 D HA 0.238 4.878 4.640 -0.000 0.000 0.248 89 D C -1.705 174.612 176.300 0.030 0.000 1.154 89 D CA -1.749 52.263 54.000 0.019 0.000 0.857 89 D CB 1.651 42.466 40.800 0.025 0.000 1.117 89 D HN 0.169 nan 8.370 nan 0.000 0.468 90 P HA -0.187 nan 4.420 nan 0.000 0.216 90 P C 1.219 178.534 177.300 0.025 0.000 1.157 90 P CA 0.518 63.629 63.100 0.018 0.000 0.880 90 P CB 0.195 31.898 31.700 0.006 0.000 0.791 91 L N -1.169 120.069 121.223 0.024 0.000 2.131 91 L HA -0.004 4.336 4.340 -0.000 0.000 0.206 91 L C 2.235 179.092 176.870 -0.023 0.000 1.087 91 L CA 1.735 56.593 54.840 0.030 0.000 0.767 91 L CB -0.986 41.098 42.059 0.042 0.000 0.917 91 L HN -0.134 nan 8.230 nan 0.000 0.441 92 R N -1.195 119.295 120.500 -0.017 0.000 2.189 92 R HA 0.108 4.448 4.340 -0.000 0.000 0.203 92 R C 0.880 177.155 176.300 -0.042 0.000 1.012 92 R CA 0.644 56.718 56.100 -0.043 0.000 1.015 92 R CB 0.151 30.451 30.300 -0.001 0.000 0.938 92 R HN 0.344 nan 8.270 nan 0.000 0.472 93 N N -0.493 118.218 118.700 0.019 0.000 2.159 93 N HA 0.107 4.847 4.740 -0.000 0.000 0.217 93 N C -0.789 174.753 175.510 0.054 0.000 1.223 93 N CA 0.239 53.338 53.050 0.081 0.000 0.896 93 N CB 1.862 40.519 38.487 0.283 0.000 1.064 93 N HN -0.133 nan 8.380 nan 0.000 0.518 94 V N 1.865 121.788 119.914 0.015 0.000 2.588 94 V HA 0.495 4.615 4.120 -0.000 0.000 0.304 94 V C -0.930 175.162 176.094 -0.003 0.000 1.042 94 V CA -0.915 61.400 62.300 0.026 0.000 0.877 94 V CB 2.563 34.406 31.823 0.033 0.000 0.996 94 V HN -0.044 nan 8.190 nan 0.000 0.425 95 L N 5.641 126.874 121.223 0.016 0.000 2.406 95 L HA 0.707 5.047 4.340 -0.000 0.000 0.272 95 L C -0.605 176.313 176.870 0.079 0.000 0.980 95 L CA -0.139 54.691 54.840 -0.017 0.000 0.831 95 L CB 2.033 44.020 42.059 -0.120 0.000 1.253 95 L HN 0.441 nan 8.230 nan 0.000 0.406 96 V N 3.903 123.872 119.914 0.090 0.000 2.546 96 V HA 0.668 4.788 4.120 -0.000 0.000 0.284 96 V C 0.583 176.766 176.094 0.149 0.000 1.050 96 V CA 0.216 62.634 62.300 0.197 0.000 0.981 96 V CB 1.240 33.204 31.823 0.235 0.000 0.990 96 V HN 0.964 nan 8.190 nan 0.000 0.474 97 T N 0.855 115.540 114.554 0.217 0.000 2.864 97 T HA 0.554 4.903 4.350 -0.000 0.000 0.289 97 T C -0.468 174.372 174.700 0.233 0.000 1.082 97 T CA -0.769 61.471 62.100 0.234 0.000 1.009 97 T CB 1.648 70.626 68.868 0.184 0.000 1.234 97 T HN 0.166 nan 8.240 nan 0.000 0.526 98 V N 2.227 122.279 119.914 0.229 0.000 2.149 98 V HA 0.544 4.664 4.120 -0.000 0.000 0.245 98 V C 1.385 177.582 176.094 0.172 0.000 1.349 98 V CA 0.755 63.168 62.300 0.189 0.000 1.289 98 V CB -1.196 30.724 31.823 0.160 0.000 1.401 98 V HN 1.485 nan 8.190 nan 0.000 0.501 99 G N 3.765 112.656 108.800 0.151 0.000 2.855 99 G HA2 -0.041 3.919 3.960 -0.000 0.000 0.352 99 G HA3 -0.041 3.919 3.960 -0.000 0.000 0.352 99 G C 0.833 175.758 174.900 0.041 0.000 1.415 99 G CA -0.223 44.938 45.100 0.102 0.000 0.871 99 G HN 0.952 nan 8.290 nan 0.000 0.543 100 G N -1.136 107.630 108.800 -0.056 0.000 2.442 100 G HA2 -0.100 3.860 3.960 -0.000 0.000 0.219 100 G HA3 -0.100 3.860 3.960 -0.000 0.000 0.219 100 G C 1.472 176.394 174.900 0.035 0.000 1.141 100 G CA 2.006 47.031 45.100 -0.124 0.000 0.763 100 G HN 0.694 nan 8.290 nan 0.000 0.554 101 Y N 1.066 121.422 120.300 0.092 0.000 2.097 101 Y HA -0.122 4.427 4.550 -0.000 0.000 0.282 101 Y C 3.081 179.109 175.900 0.213 0.000 1.152 101 Y CA 1.478 59.695 58.100 0.194 0.000 1.136 101 Y CB -0.376 38.178 38.460 0.156 0.000 0.975 101 Y HN 0.222 nan 8.280 nan 0.000 0.498 102 G N -1.025 107.984 108.800 0.348 0.000 2.422 102 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.218 102 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.218 102 G C 1.821 176.909 174.900 0.313 0.000 1.146 102 G CA 0.886 46.179 45.100 0.321 0.000 0.769 102 G HN 0.507 nan 8.290 nan 0.000 0.547 103 A N 0.637 123.572 122.820 0.191 0.000 1.877 103 A HA 0.095 4.415 4.320 -0.000 0.000 0.216 103 A C 2.435 180.079 177.584 0.099 0.000 1.186 103 A CA 1.285 53.380 52.037 0.098 0.000 0.620 103 A CB -0.440 18.545 19.000 -0.025 0.000 0.822 103 A HN 0.343 nan 8.150 nan 0.000 0.443 104 L N -1.991 119.327 121.223 0.158 0.000 2.012 104 L HA -0.185 4.155 4.340 -0.000 0.000 0.210 104 L C 2.485 179.593 176.870 0.397 0.000 1.073 104 L CA 1.839 56.814 54.840 0.225 0.000 0.748 104 L CB -0.587 41.708 42.059 0.393 0.000 0.891 104 L HN 0.523 nan 8.230 nan 0.000 0.431 105 F N 0.676 120.811 119.950 0.307 0.000 2.102 105 F HA -0.237 4.290 4.527 -0.000 0.000 0.298 105 F C 2.475 178.408 175.800 0.222 0.000 1.105 105 F CA 2.085 60.268 58.000 0.305 0.000 1.239 105 F CB -0.587 38.554 39.000 0.236 0.000 0.991 105 F HN -0.057 nan 8.300 nan 0.000 0.474 106 T N 0.765 115.405 114.554 0.142 0.000 2.720 106 T HA -0.191 4.159 4.350 -0.000 0.000 0.268 106 T C 2.213 176.850 174.700 -0.106 0.000 1.037 106 T CA 1.468 63.561 62.100 -0.011 0.000 1.144 106 T CB -0.867 68.071 68.868 0.117 0.000 0.864 106 T HN 0.393 nan 8.240 nan 0.000 0.444 107 A N 0.934 123.687 122.820 -0.113 0.000 1.873 107 A HA 0.022 4.342 4.320 -0.000 0.000 0.215 107 A C 1.975 179.392 177.584 -0.278 0.000 1.186 107 A CA 1.275 53.168 52.037 -0.240 0.000 0.616 107 A CB -1.013 17.773 19.000 -0.357 0.000 0.823 107 A HN 0.438 nan 8.150 nan 0.000 0.442 108 F N 0.149 120.005 119.950 -0.157 0.000 2.126 108 F HA -0.196 4.331 4.527 -0.000 0.000 0.299 108 F C 2.767 178.435 175.800 -0.220 0.000 1.096 108 F CA 1.733 59.632 58.000 -0.167 0.000 1.255 108 F CB -0.312 38.620 39.000 -0.114 0.000 0.997 108 F HN 0.196 nan 8.300 nan 0.000 0.479 109 Q N -0.289 119.412 119.800 -0.165 0.000 2.230 109 Q HA -0.034 4.306 4.340 -0.000 0.000 0.202 109 Q C 2.423 178.333 176.000 -0.150 0.000 0.963 109 Q CA 1.179 56.833 55.803 -0.249 0.000 0.866 109 Q CB -0.593 27.831 28.738 -0.524 0.000 0.931 109 Q HN 0.443 nan 8.270 nan 0.000 0.452 110 A N -0.052 122.686 122.820 -0.137 0.000 1.930 110 A HA 0.002 4.322 4.320 -0.000 0.000 0.215 110 A C 1.922 179.426 177.584 -0.134 0.000 1.176 110 A CA 0.805 52.780 52.037 -0.104 0.000 0.632 110 A CB -0.072 18.883 19.000 -0.076 0.000 0.819 110 A HN 0.299 nan 8.150 nan 0.000 0.445 111 L N -1.230 119.910 121.223 -0.138 0.000 2.685 111 L HA 0.202 4.542 4.340 -0.000 0.000 0.235 111 L C -0.249 176.556 176.870 -0.109 0.000 1.070 111 L CA -0.042 54.709 54.840 -0.148 0.000 0.888 111 L CB 0.460 42.414 42.059 -0.174 0.000 1.203 111 L HN -0.001 nan 8.230 nan 0.000 0.499 112 V N 1.058 120.934 119.914 -0.063 0.000 2.407 112 V HA 0.338 4.458 4.120 -0.000 0.000 0.278 112 V C -0.718 175.356 176.094 -0.033 0.000 1.037 112 V CA -0.264 62.023 62.300 -0.023 0.000 0.900 112 V CB 1.602 33.471 31.823 0.077 0.000 0.983 112 V HN 0.064 nan 8.190 nan 0.000 0.459 113 D N 2.126 122.501 120.400 -0.041 0.000 2.531 113 D HA 0.292 4.932 4.640 -0.000 0.000 0.244 113 D C -0.378 175.902 176.300 -0.034 0.000 1.090 113 D CA -0.776 53.200 54.000 -0.040 0.000 0.989 113 D CB 2.148 42.918 40.800 -0.051 0.000 1.433 113 D HN 0.569 nan 8.370 nan 0.000 0.492 114 E N -0.005 120.178 120.200 -0.028 0.000 2.820 114 E HA 0.265 4.615 4.350 -0.000 0.000 0.251 114 E C 0.998 177.581 176.600 -0.028 0.000 0.944 114 E CA 1.770 58.156 56.400 -0.024 0.000 0.955 114 E CB -0.439 29.250 29.700 -0.018 0.000 0.904 114 E HN 0.652 nan 8.360 nan 0.000 0.513 115 G N 4.071 112.853 108.800 -0.030 0.000 2.225 115 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.254 115 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.254 115 G C -0.130 174.744 174.900 -0.044 0.000 0.988 115 G CA 0.083 45.163 45.100 -0.033 0.000 0.625 115 G HN 0.627 nan 8.290 nan 0.000 0.527 116 D N 1.609 121.980 120.400 -0.048 0.000 2.414 116 D HA 0.436 5.075 4.640 -0.000 0.000 0.242 116 D C 0.681 176.934 176.300 -0.078 0.000 1.129 116 D CA 0.395 54.359 54.000 -0.060 0.000 0.885 116 D CB 0.746 41.512 40.800 -0.058 0.000 1.198 116 D HN 0.563 nan 8.370 nan 0.000 0.437 117 E N 0.175 120.315 120.200 -0.101 0.000 2.231 117 E HA 0.472 4.822 4.350 -0.000 0.000 0.277 117 E C -0.791 175.706 176.600 -0.170 0.000 0.999 117 E CA -0.828 55.486 56.400 -0.143 0.000 0.827 117 E CB 1.877 31.481 29.700 -0.160 0.000 1.101 117 E HN 0.056 nan 8.360 nan 0.000 0.393 118 V N 4.180 123.971 119.914 -0.206 0.000 2.483 118 V HA 0.306 4.426 4.120 -0.000 0.000 0.297 118 V C -0.236 175.670 176.094 -0.313 0.000 1.027 118 V CA -0.666 61.509 62.300 -0.209 0.000 0.855 118 V CB 1.381 33.150 31.823 -0.089 0.000 0.995 118 V HN 0.594 nan 8.190 nan 0.000 0.424 119 I N 5.926 126.296 120.570 -0.332 0.000 2.396 119 I HA 0.373 4.543 4.170 -0.000 0.000 0.289 119 I C -0.368 175.585 176.117 -0.273 0.000 1.056 119 I CA 0.171 61.261 61.300 -0.351 0.000 1.365 119 I CB 0.745 38.487 38.000 -0.430 0.000 1.407 119 I HN 0.432 nan 8.210 nan 0.000 0.509 120 I N 7.289 127.683 120.570 -0.293 0.000 2.433 120 I HA 0.397 4.567 4.170 -0.000 0.000 0.292 120 I C -0.306 175.837 176.117 0.044 0.000 1.001 120 I CA -0.567 60.629 61.300 -0.174 0.000 1.119 120 I CB 2.090 39.845 38.000 -0.408 0.000 1.289 120 I HN 0.389 nan 8.210 nan 0.000 0.438 121 I N 5.774 126.442 120.570 0.164 0.000 2.304 121 I HA 0.226 4.396 4.170 -0.000 0.000 0.291 121 I C 0.035 176.352 176.117 0.334 0.000 1.018 121 I CA -0.378 61.071 61.300 0.247 0.000 1.260 121 I CB 0.748 38.895 38.000 0.244 0.000 1.390 121 I HN 0.539 nan 8.210 nan 0.000 0.475 122 E N 8.209 128.589 120.200 0.300 0.000 2.301 122 E HA 0.273 4.623 4.350 -0.000 0.000 0.275 122 E C -2.294 174.253 176.600 -0.088 0.000 1.030 122 E CA -1.799 54.644 56.400 0.072 0.000 0.852 122 E CB 0.676 30.352 29.700 -0.040 0.000 1.060 122 E HN 0.308 nan 8.360 nan 0.000 0.401 123 P HA 0.058 nan 4.420 nan 0.000 0.280 123 P C -1.093 176.090 177.300 -0.195 0.000 1.244 123 P CA -0.137 62.578 63.100 -0.642 0.000 0.784 123 P CB 0.219 31.551 31.700 -0.614 0.000 0.913 124 F N 1.079 120.954 119.950 -0.124 0.000 2.508 124 F HA 0.555 5.082 4.527 -0.000 0.000 0.325 124 F C -0.208 175.614 175.800 0.036 0.000 1.090 124 F CA -2.035 55.994 58.000 0.048 0.000 0.945 124 F CB 0.501 39.630 39.000 0.215 0.000 1.156 124 F HN 0.092 nan 8.300 nan 0.000 0.463 125 F N 4.993 124.838 119.950 -0.175 0.000 2.580 125 F HA -0.009 4.517 4.527 -0.000 0.000 0.398 125 F C 1.716 177.390 175.800 -0.210 0.000 1.023 125 F CA -0.326 57.502 58.000 -0.286 0.000 1.188 125 F CB 0.312 38.972 39.000 -0.567 0.000 1.005 125 F HN 0.754 nan 8.300 nan 0.000 0.546 126 D N 3.985 124.140 120.400 -0.409 0.000 2.218 126 D HA -0.236 4.404 4.640 -0.000 0.000 0.204 126 D C 2.184 178.445 176.300 -0.065 0.000 0.976 126 D CA 1.424 55.298 54.000 -0.210 0.000 0.853 126 D CB -1.160 39.425 40.800 -0.358 0.000 0.939 126 D HN 0.647 nan 8.370 nan 0.000 0.481 127 C N -0.227 118.884 119.300 -0.315 0.000 2.437 127 C HA -0.027 4.433 4.460 -0.000 0.000 0.283 127 C C 2.463 177.504 174.990 0.084 0.000 1.424 127 C CA -0.343 58.641 59.018 -0.056 0.000 1.782 127 C CB -1.721 26.026 27.740 0.012 0.000 1.833 127 C HN 0.112 nan 8.230 nan 0.000 0.532 128 Y N 2.081 122.445 120.300 0.108 0.000 2.224 128 Y HA -0.082 4.468 4.550 -0.000 0.000 0.289 128 Y C 2.637 178.387 175.900 -0.250 0.000 1.146 128 Y CA 1.611 59.695 58.100 -0.027 0.000 1.182 128 Y CB -1.206 37.320 38.460 0.109 0.000 0.983 128 Y HN 0.560 nan 8.280 nan 0.000 0.524 129 E N 0.485 120.702 120.200 0.027 0.000 2.015 129 E HA -0.155 4.195 4.350 -0.000 0.000 0.191 129 E C -0.618 175.955 176.600 -0.046 0.000 0.991 129 E CA 1.431 57.813 56.400 -0.031 0.000 0.802 129 E CB -0.817 28.974 29.700 0.150 0.000 0.759 129 E HN 0.222 nan 8.360 nan 0.000 0.447 130 P HA -0.150 nan 4.420 nan 0.000 0.218 130 P C 1.540 178.794 177.300 -0.077 0.000 1.149 130 P CA 1.371 64.466 63.100 -0.007 0.000 0.817 130 P CB -0.140 31.585 31.700 0.041 0.000 0.785 131 M N -0.881 118.607 119.600 -0.187 0.000 2.132 131 M HA -0.100 4.380 4.480 -0.000 0.000 0.263 131 M C 2.143 178.138 176.300 -0.509 0.000 1.065 131 M CA 1.970 57.067 55.300 -0.339 0.000 1.122 131 M CB -1.249 31.000 32.600 -0.585 0.000 1.365 131 M HN -0.053 nan 8.290 nan 0.000 0.411 132 T N 0.840 115.012 114.554 -0.635 0.000 2.684 132 T HA -0.174 4.176 4.350 -0.000 0.000 0.267 132 T C 1.734 176.345 174.700 -0.147 0.000 1.036 132 T CA 1.536 63.439 62.100 -0.329 0.000 1.148 132 T CB -0.209 68.510 68.868 -0.249 0.000 0.863 132 T HN 0.362 nan 8.240 nan 0.000 0.436 133 M N 0.178 119.709 119.600 -0.114 0.000 2.117 133 M HA -0.028 4.452 4.480 -0.000 0.000 0.262 133 M C 2.494 178.780 176.300 -0.024 0.000 1.065 133 M CA 1.575 56.846 55.300 -0.048 0.000 1.114 133 M CB -0.432 32.159 32.600 -0.016 0.000 1.361 133 M HN 0.203 nan 8.290 nan 0.000 0.408 134 M N -0.086 119.505 119.600 -0.015 0.000 2.213 134 M HA -0.122 4.358 4.480 -0.000 0.000 0.263 134 M C 1.816 178.128 176.300 0.020 0.000 1.062 134 M CA 1.576 56.893 55.300 0.027 0.000 1.105 134 M CB -0.059 32.590 32.600 0.082 0.000 1.385 134 M HN 0.290 nan 8.290 nan 0.000 0.417 135 A N -0.691 122.124 122.820 -0.008 0.000 2.238 135 A HA 0.327 4.647 4.320 -0.000 0.000 0.208 135 A C 1.513 179.089 177.584 -0.013 0.000 1.177 135 A CA 0.764 52.796 52.037 -0.009 0.000 0.804 135 A CB -0.821 18.181 19.000 0.002 0.000 0.823 135 A HN 0.747 nan 8.150 nan 0.000 0.482 136 G N -1.992 106.799 108.800 -0.015 0.000 2.176 136 G HA2 -0.066 3.894 3.960 -0.000 0.000 0.253 136 G HA3 -0.066 3.894 3.960 -0.000 0.000 0.253 136 G C 0.726 175.610 174.900 -0.028 0.000 0.979 136 G CA 0.308 45.398 45.100 -0.017 0.000 0.641 136 G HN 1.369 nan 8.290 nan 0.000 0.530 137 G N -0.774 108.005 108.800 -0.036 0.000 2.562 137 G HA2 0.558 4.518 3.960 -0.000 0.000 0.275 137 G HA3 0.558 4.518 3.960 -0.000 0.000 0.275 137 G C -0.048 174.811 174.900 -0.068 0.000 1.196 137 G CA -0.200 44.870 45.100 -0.049 0.000 0.908 137 G HN 0.532 nan 8.290 nan 0.000 0.524 138 R N 1.097 121.543 120.500 -0.089 0.000 2.288 138 R HA 0.376 4.716 4.340 -0.000 0.000 0.326 138 R C -2.562 173.623 176.300 -0.192 0.000 0.959 138 R CA -1.631 54.405 56.100 -0.108 0.000 0.834 138 R CB 1.503 31.752 30.300 -0.086 0.000 1.157 138 R HN 0.228 nan 8.270 nan 0.000 0.470 139 P HA 0.027 nan 4.420 nan 0.000 0.271 139 P C -1.103 175.792 177.300 -0.676 0.000 1.216 139 P CA -0.203 62.569 63.100 -0.547 0.000 0.771 139 P CB 1.076 32.401 31.700 -0.626 0.000 0.864 140 V N 4.822 124.294 119.914 -0.737 0.000 2.487 140 V HA 0.416 4.536 4.120 -0.000 0.000 0.298 140 V C -0.431 175.312 176.094 -0.585 0.000 1.028 140 V CA -0.359 61.631 62.300 -0.516 0.000 0.860 140 V CB 0.866 32.508 31.823 -0.301 0.000 0.991 140 V HN 0.331 nan 8.190 nan 0.000 0.427 141 F N 3.691 123.610 119.950 -0.052 0.000 2.443 141 F HA 0.745 5.272 4.527 -0.000 0.000 0.335 141 F C 0.087 175.947 175.800 0.101 0.000 1.104 141 F CA -0.855 57.149 58.000 0.007 0.000 1.013 141 F CB 1.967 40.979 39.000 0.021 0.000 1.136 141 F HN 0.291 nan 8.300 nan 0.000 0.470 142 V N 2.258 122.352 119.914 0.299 0.000 2.709 142 V HA 0.625 4.745 4.120 -0.000 0.000 0.308 142 V C -0.910 175.360 176.094 0.294 0.000 1.062 142 V CA -0.374 62.084 62.300 0.263 0.000 0.901 142 V CB 2.178 34.104 31.823 0.172 0.000 1.003 142 V HN 0.762 nan 8.190 nan 0.000 0.425 143 S N 6.937 122.805 115.700 0.279 0.000 2.462 143 S HA 0.620 5.090 4.470 -0.000 0.000 0.294 143 S C -0.380 174.368 174.600 0.247 0.000 1.144 143 S CA -0.509 57.846 58.200 0.259 0.000 1.088 143 S CB 1.273 64.625 63.200 0.253 0.000 1.009 143 S HN 0.675 nan 8.310 nan 0.000 0.484 144 L N 3.211 124.599 121.223 0.275 0.000 2.453 144 L HA 0.258 4.597 4.340 -0.000 0.000 0.272 144 L C 0.275 177.340 176.870 0.325 0.000 1.182 144 L CA 0.291 55.323 54.840 0.320 0.000 0.858 144 L CB 0.200 42.509 42.059 0.416 0.000 1.120 144 L HN 0.500 nan 8.230 nan 0.000 0.474 145 K N 4.548 125.034 120.400 0.143 0.000 2.463 145 K HA 0.384 4.704 4.320 -0.000 0.000 0.255 145 K C -2.473 173.911 176.600 -0.360 0.000 0.942 145 K CA -1.746 54.499 56.287 -0.071 0.000 0.814 145 K CB 1.947 34.464 32.500 0.028 0.000 1.122 145 K HN 0.256 nan 8.250 nan 0.000 0.425 146 P HA -0.037 nan 4.420 nan 0.000 0.267 146 P C 0.133 177.236 177.300 -0.328 0.000 1.205 146 P CA 0.006 62.568 63.100 -0.897 0.000 0.765 146 P CB 0.768 31.861 31.700 -1.012 0.000 0.828 147 G N 4.540 113.235 108.800 -0.174 0.000 2.631 147 G HA2 0.328 4.288 3.960 -0.000 0.000 0.271 147 G HA3 0.328 4.288 3.960 -0.000 0.000 0.271 147 G C -1.905 172.959 174.900 -0.059 0.000 1.302 147 G CA -0.705 44.349 45.100 -0.076 0.000 1.002 147 G HN 0.375 nan 8.290 nan 0.000 0.519 153 E N -0.948 119.266 120.200 0.024 0.000 2.391 153 E HA 0.206 4.556 4.350 -0.000 0.000 0.206 153 E C 0.342 176.972 176.600 0.050 0.000 0.851 153 E CA -0.098 56.319 56.400 0.029 0.000 1.059 153 E CB 0.320 30.030 29.700 0.017 0.000 1.065 153 E HN 0.398 nan 8.360 nan 0.000 0.512 154 L N 1.810 123.063 121.223 0.050 0.000 2.367 154 L HA 0.285 4.625 4.340 -0.000 0.000 0.275 154 L C 0.928 177.853 176.870 0.091 0.000 1.129 154 L CA -0.350 54.529 54.840 0.066 0.000 0.839 154 L CB 1.150 43.236 42.059 0.045 0.000 1.133 154 L HN 0.045 nan 8.230 nan 0.000 0.453 155 G N 1.432 110.312 108.800 0.134 0.000 2.588 155 G HA2 0.402 4.362 3.960 -0.000 0.000 0.281 155 G HA3 0.402 4.362 3.960 -0.000 0.000 0.281 155 G C -0.737 174.256 174.900 0.156 0.000 1.236 155 G CA -0.269 44.938 45.100 0.180 0.000 0.969 155 G HN 0.498 nan 8.290 nan 0.000 0.504 156 S N -1.687 114.129 115.700 0.193 0.000 2.575 156 S HA 0.414 4.884 4.470 -0.000 0.000 0.278 156 S C 1.041 175.746 174.600 0.176 0.000 1.139 156 S CA -0.297 57.987 58.200 0.139 0.000 0.954 156 S CB 1.678 64.944 63.200 0.109 0.000 1.054 156 S HN 0.442 nan 8.310 nan 0.000 0.483 157 S N 2.794 118.513 115.700 0.032 0.000 2.400 157 S HA -0.128 4.342 4.470 -0.000 0.000 0.232 157 S C 2.161 176.763 174.600 0.003 0.000 1.025 157 S CA 1.760 59.906 58.200 -0.090 0.000 0.993 157 S CB -0.398 62.700 63.200 -0.171 0.000 0.808 157 S HN 0.985 nan 8.310 nan 0.000 0.478 158 S N 2.473 118.169 115.700 -0.007 0.000 2.419 158 S HA -0.060 4.410 4.470 -0.000 0.000 0.233 158 S C 1.286 175.923 174.600 0.061 0.000 1.016 158 S CA 0.941 59.130 58.200 -0.019 0.000 0.974 158 S CB -0.399 62.786 63.200 -0.026 0.000 0.786 158 S HN 0.411 nan 8.310 nan 0.000 0.492 159 N N 0.134 118.925 118.700 0.152 0.000 2.398 159 N HA 0.129 4.869 4.740 -0.000 0.000 0.188 159 N C -1.062 174.564 175.510 0.194 0.000 1.122 159 N CA 0.124 53.265 53.050 0.151 0.000 0.866 159 N CB -0.201 38.362 38.487 0.127 0.000 0.970 159 N HN 0.518 nan 8.380 nan 0.000 0.462 160 W N 2.220 123.500 121.300 -0.033 0.000 2.388 160 W HA 0.308 4.968 4.660 -0.000 0.000 0.308 160 W C 0.411 176.897 176.519 -0.055 0.000 1.263 160 W CA -0.336 56.998 57.345 -0.019 0.000 1.286 160 W CB 0.534 29.979 29.460 -0.025 0.000 1.294 160 W HN -0.208 nan 8.180 nan 0.000 0.493 161 Q N 2.804 122.669 119.800 0.108 0.000 2.245 161 Q HA 0.372 4.712 4.340 -0.000 0.000 0.256 161 Q C -0.941 175.102 176.000 0.073 0.000 0.942 161 Q CA -1.330 54.503 55.803 0.050 0.000 0.896 161 Q CB 2.451 31.204 28.738 0.026 0.000 1.272 161 Q HN 0.379 nan 8.270 nan 0.000 0.442 162 L N 3.383 124.637 121.223 0.052 0.000 2.287 162 L HA 0.180 4.520 4.340 -0.000 0.000 0.280 162 L C -0.143 176.784 176.870 0.094 0.000 1.055 162 L CA -0.041 54.861 54.840 0.103 0.000 0.863 162 L CB 0.441 42.583 42.059 0.138 0.000 1.245 162 L HN 0.485 nan 8.230 nan 0.000 0.432 163 D N 6.569 127.025 120.400 0.095 0.000 2.451 163 D HA -0.006 4.634 4.640 -0.000 0.000 0.254 163 D C -1.675 174.679 176.300 0.090 0.000 1.204 163 D CA -0.959 53.089 54.000 0.080 0.000 0.896 163 D CB 1.668 42.512 40.800 0.074 0.000 1.136 163 D HN 0.383 nan 8.370 nan 0.000 0.499 164 P HA -0.165 nan 4.420 nan 0.000 0.216 164 P C 1.603 178.949 177.300 0.078 0.000 1.150 164 P CA 1.036 64.181 63.100 0.075 0.000 0.837 164 P CB 0.099 31.831 31.700 0.053 0.000 0.786 165 M N -0.746 118.895 119.600 0.068 0.000 2.123 165 M HA -0.158 4.322 4.480 -0.000 0.000 0.263 165 M C 1.932 178.284 176.300 0.086 0.000 1.069 165 M CA 1.816 57.156 55.300 0.068 0.000 1.133 165 M CB -0.343 32.289 32.600 0.052 0.000 1.356 165 M HN -0.147 nan 8.290 nan 0.000 0.415 166 E N 0.260 120.514 120.200 0.091 0.000 2.058 166 E HA -0.266 4.084 4.350 -0.000 0.000 0.194 166 E C 1.874 178.554 176.600 0.133 0.000 0.997 166 E CA 1.638 58.101 56.400 0.105 0.000 0.801 166 E CB -0.325 29.440 29.700 0.108 0.000 0.746 166 E HN 0.395 nan 8.360 nan 0.000 0.450 167 L N 0.987 122.303 121.223 0.154 0.000 1.989 167 L HA -0.169 4.171 4.340 -0.000 0.000 0.211 167 L C 2.214 179.266 176.870 0.303 0.000 1.071 167 L CA 2.230 57.200 54.840 0.216 0.000 0.749 167 L CB -0.754 41.442 42.059 0.229 0.000 0.890 167 L HN 0.066 nan 8.230 nan 0.000 0.431 168 A N -0.519 122.427 122.820 0.210 0.000 1.940 168 A HA -0.122 4.198 4.320 -0.000 0.000 0.219 168 A C 2.298 180.009 177.584 0.212 0.000 1.176 168 A CA 1.606 53.750 52.037 0.179 0.000 0.631 168 A CB -1.637 17.414 19.000 0.085 0.000 0.814 168 A HN 0.567 nan 8.150 nan 0.000 0.446 169 G N -0.794 108.099 108.800 0.155 0.000 2.509 169 G HA2 -0.126 3.834 3.960 -0.000 0.000 0.218 169 G HA3 -0.126 3.834 3.960 -0.000 0.000 0.218 169 G C 1.432 176.388 174.900 0.093 0.000 1.124 169 G CA 0.805 45.973 45.100 0.113 0.000 0.776 169 G HN 0.411 nan 8.290 nan 0.000 0.547 170 K N 0.059 120.521 120.400 0.104 0.000 2.296 170 K HA 0.098 4.418 4.320 -0.000 0.000 0.200 170 K C 0.175 176.689 176.600 -0.143 0.000 1.048 170 K CA -0.184 56.085 56.287 -0.030 0.000 0.966 170 K CB -0.202 32.241 32.500 -0.096 0.000 0.754 170 K HN 0.363 nan 8.250 nan 0.000 0.466 171 F N 1.983 121.821 119.950 -0.186 0.000 2.504 171 F HA 0.013 4.540 4.527 -0.000 0.000 0.369 171 F C 1.436 177.052 175.800 -0.307 0.000 1.082 171 F CA 0.053 57.838 58.000 -0.359 0.000 1.216 171 F CB 0.595 39.130 39.000 -0.775 0.000 1.108 171 F HN -0.068 nan 8.300 nan 0.000 0.554 172 T N -1.896 112.604 114.554 -0.091 0.000 2.742 172 T HA 0.273 4.623 4.350 -0.000 0.000 0.282 172 T C 0.957 175.668 174.700 0.019 0.000 1.025 172 T CA -0.122 61.964 62.100 -0.024 0.000 1.020 172 T CB 1.216 70.065 68.868 -0.030 0.000 1.317 172 T HN 0.429 nan 8.240 nan 0.000 0.538 173 S N -0.390 115.334 115.700 0.040 0.000 2.474 173 S HA -0.032 4.437 4.470 -0.000 0.000 0.235 173 S C 1.665 176.275 174.600 0.016 0.000 0.997 173 S CA 0.305 58.534 58.200 0.049 0.000 0.949 173 S CB -0.564 62.661 63.200 0.041 0.000 0.766 173 S HN 0.707 nan 8.310 nan 0.000 0.517 174 R N 0.857 121.349 120.500 -0.013 0.000 2.300 174 R HA 0.169 4.509 4.340 -0.000 0.000 0.199 174 R C -0.020 176.244 176.300 -0.060 0.000 0.920 174 R CA 0.299 56.378 56.100 -0.035 0.000 1.046 174 R CB -0.128 30.146 30.300 -0.043 0.000 0.984 174 R HN 0.287 nan 8.270 nan 0.000 0.493 175 T N 1.381 115.891 114.554 -0.072 0.000 2.793 175 T HA -0.017 4.333 4.350 -0.000 0.000 0.289 175 T C 0.888 175.545 174.700 -0.072 0.000 0.956 175 T CA 0.500 62.528 62.100 -0.121 0.000 1.177 175 T CB 1.048 69.808 68.868 -0.180 0.000 0.897 175 T HN 0.044 nan 8.240 nan 0.000 0.533 176 K N 2.243 122.585 120.400 -0.096 0.000 2.214 176 K HA 0.470 4.790 4.320 -0.000 0.000 0.201 176 K C 0.521 177.062 176.600 -0.098 0.000 1.049 176 K CA 0.355 56.593 56.287 -0.081 0.000 0.978 176 K CB 0.512 32.961 32.500 -0.085 0.000 0.842 176 K HN 0.724 nan 8.250 nan 0.000 0.474 177 A N 0.068 122.806 122.820 -0.137 0.000 2.572 177 A HA 0.598 4.918 4.320 -0.000 0.000 0.295 177 A C -1.930 175.535 177.584 -0.199 0.000 1.072 177 A CA -0.741 51.197 52.037 -0.164 0.000 0.691 177 A CB 1.081 19.952 19.000 -0.215 0.000 1.291 177 A HN 0.169 nan 8.150 nan 0.000 0.404 178 L N 1.646 122.759 121.223 -0.183 0.000 2.365 178 L HA 0.778 5.118 4.340 -0.000 0.000 0.273 178 L C -1.373 175.366 176.870 -0.218 0.000 1.000 178 L CA -0.807 53.916 54.840 -0.196 0.000 0.819 178 L CB 1.965 43.958 42.059 -0.111 0.000 1.284 178 L HN 0.477 nan 8.230 nan 0.000 0.418 179 V N 5.680 125.448 119.914 -0.242 0.000 2.350 179 V HA 0.324 4.444 4.120 -0.000 0.000 0.276 179 V C -0.270 175.666 176.094 -0.264 0.000 1.028 179 V CA -0.459 61.639 62.300 -0.337 0.000 0.860 179 V CB 1.244 32.762 31.823 -0.508 0.000 0.990 179 V HN 0.547 nan 8.190 nan 0.000 0.453 180 L N 5.590 126.649 121.223 -0.273 0.000 2.287 180 L HA 0.530 4.870 4.340 -0.000 0.000 0.287 180 L C -0.152 176.570 176.870 -0.247 0.000 1.022 180 L CA 0.182 54.850 54.840 -0.287 0.000 0.814 180 L CB 1.265 43.125 42.059 -0.332 0.000 1.217 180 L HN 0.708 nan 8.230 nan 0.000 0.420 181 N N 3.284 121.883 118.700 -0.170 0.000 2.479 181 N HA 0.410 5.150 4.740 -0.000 0.000 0.261 181 N C -1.447 174.021 175.510 -0.071 0.000 0.979 181 N CA -0.112 52.921 53.050 -0.028 0.000 0.930 181 N CB 0.993 39.613 38.487 0.221 0.000 1.172 181 N HN 0.694 nan 8.380 nan 0.000 0.499 182 T N 3.303 117.825 114.554 -0.054 0.000 3.032 182 T HA 0.400 4.750 4.350 -0.000 0.000 0.312 182 T C -2.930 171.862 174.700 0.154 0.000 1.078 182 T CA -1.261 60.876 62.100 0.061 0.000 1.028 182 T CB 1.552 70.418 68.868 -0.004 0.000 1.091 182 T HN 0.274 nan 8.240 nan 0.000 0.457 183 P HA 0.137 nan 4.420 nan 0.000 0.267 183 P C -0.605 176.773 177.300 0.131 0.000 1.200 183 P CA -0.325 62.860 63.100 0.142 0.000 0.772 183 P CB 0.406 32.152 31.700 0.077 0.000 0.855 184 N N 2.954 121.719 118.700 0.108 0.000 2.488 184 N HA 0.039 4.779 4.740 -0.000 0.000 0.274 184 N C -0.696 174.788 175.510 -0.043 0.000 1.111 184 N CA -0.079 53.013 53.050 0.071 0.000 0.974 184 N CB 0.073 38.623 38.487 0.105 0.000 1.089 184 N HN 0.254 nan 8.380 nan 0.000 0.465 185 N N 4.133 122.794 118.700 -0.064 0.000 2.408 185 N HA 0.377 5.117 4.740 -0.000 0.000 0.280 185 N C -2.125 173.119 175.510 -0.442 0.000 1.002 185 N CA -2.081 50.827 53.050 -0.237 0.000 0.907 185 N CB 1.685 40.115 38.487 -0.095 0.000 1.161 185 N HN 0.394 nan 8.380 nan 0.000 0.488 186 P HA 0.047 nan 4.420 nan 0.000 0.264 186 P C 1.131 178.184 177.300 -0.412 0.000 1.259 186 P CA -0.037 62.595 63.100 -0.780 0.000 0.841 186 P CB 0.644 31.648 31.700 -1.160 0.000 1.232 187 L N 0.700 121.692 121.223 -0.385 0.000 2.109 187 L HA 0.281 4.621 4.340 -0.000 0.000 0.207 187 L C 1.507 178.236 176.870 -0.235 0.000 1.086 187 L CA 2.239 56.832 54.840 -0.411 0.000 0.760 187 L CB -1.314 40.400 42.059 -0.575 0.000 0.910 187 L HN 0.264 nan 8.230 nan 0.000 0.437 188 G N -0.076 108.650 108.800 -0.124 0.000 2.132 188 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.228 188 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.228 188 G C 0.432 175.309 174.900 -0.039 0.000 1.000 188 G CA 0.401 45.486 45.100 -0.025 0.000 0.693 188 G HN 0.521 nan 8.290 nan 0.000 0.515 189 K N 0.441 120.800 120.400 -0.067 0.000 2.276 189 K HA 0.542 4.862 4.320 -0.000 0.000 0.283 189 K C 0.050 176.680 176.600 0.051 0.000 1.044 189 K CA -0.518 55.733 56.287 -0.061 0.000 0.944 189 K CB 0.901 33.340 32.500 -0.101 0.000 1.012 189 K HN 0.027 nan 8.250 nan 0.000 0.472 190 V N 5.984 125.894 119.914 -0.006 0.000 2.347 190 V HA 0.256 4.376 4.120 -0.000 0.000 0.280 190 V C -0.471 175.689 176.094 0.110 0.000 1.021 190 V CA -0.765 61.587 62.300 0.086 0.000 0.847 190 V CB 0.523 32.349 31.823 0.005 0.000 0.990 190 V HN 0.627 nan 8.190 nan 0.000 0.444 191 F N 3.711 123.654 119.950 -0.012 0.000 2.495 191 F HA 0.264 4.791 4.527 -0.000 0.000 0.365 191 F C 1.320 177.116 175.800 -0.006 0.000 1.090 191 F CA 0.176 58.174 58.000 -0.004 0.000 1.235 191 F CB 0.997 39.994 39.000 -0.005 0.000 1.119 191 F HN 0.623 nan 8.300 nan 0.000 0.562 192 S N 3.993 119.750 115.700 0.095 0.000 2.624 192 S HA 0.260 4.730 4.470 -0.000 0.000 0.263 192 S C 1.476 176.129 174.600 0.089 0.000 1.287 192 S CA -0.710 57.538 58.200 0.079 0.000 0.990 192 S CB 0.975 64.204 63.200 0.048 0.000 0.950 192 S HN 0.780 nan 8.310 nan 0.000 0.561 193 R N 0.540 121.076 120.500 0.061 0.000 2.091 193 R HA -0.172 4.168 4.340 -0.000 0.000 0.238 193 R C 2.296 178.628 176.300 0.054 0.000 1.136 193 R CA 2.001 58.129 56.100 0.047 0.000 0.959 193 R CB -0.530 29.789 30.300 0.032 0.000 0.856 193 R HN 0.931 nan 8.270 nan 0.000 0.437 194 E N 0.165 120.396 120.200 0.051 0.000 2.077 194 E HA -0.217 4.133 4.350 -0.000 0.000 0.193 194 E C 1.675 178.315 176.600 0.067 0.000 0.989 194 E CA 1.578 58.006 56.400 0.048 0.000 0.800 194 E CB 0.100 29.822 29.700 0.037 0.000 0.746 194 E HN 0.464 nan 8.360 nan 0.000 0.452 195 E N 0.260 120.512 120.200 0.087 0.000 2.077 195 E HA -0.199 4.151 4.350 -0.000 0.000 0.193 195 E C 2.240 178.963 176.600 0.204 0.000 0.989 195 E CA 1.183 57.669 56.400 0.143 0.000 0.800 195 E CB -0.077 29.696 29.700 0.122 0.000 0.746 195 E HN 0.326 nan 8.360 nan 0.000 0.452 196 L N 0.891 122.224 121.223 0.183 0.000 2.083 196 L HA -0.193 4.147 4.340 -0.000 0.000 0.209 196 L C 2.303 179.214 176.870 0.069 0.000 1.083 196 L CA 1.194 56.103 54.840 0.115 0.000 0.752 196 L CB -0.386 41.709 42.059 0.061 0.000 0.899 196 L HN 0.126 nan 8.230 nan 0.000 0.433 197 E N 0.093 120.327 120.200 0.058 0.000 2.110 197 E HA -0.252 4.098 4.350 -0.000 0.000 0.193 197 E C 2.112 178.732 176.600 0.034 0.000 0.988 197 E CA 1.100 57.521 56.400 0.036 0.000 0.804 197 E CB -0.167 29.550 29.700 0.029 0.000 0.745 197 E HN 0.295 nan 8.360 nan 0.000 0.458 198 L N 0.741 121.996 121.223 0.053 0.000 2.017 198 L HA -0.170 4.170 4.340 -0.000 0.000 0.208 198 L C 2.206 179.106 176.870 0.049 0.000 1.073 198 L CA 1.488 56.358 54.840 0.050 0.000 0.745 198 L CB -0.415 41.689 42.059 0.076 0.000 0.894 198 L HN -0.076 nan 8.230 nan 0.000 0.432 199 V N 0.359 120.326 119.914 0.088 0.000 2.295 199 V HA -0.293 3.827 4.120 -0.000 0.000 0.246 199 V C 2.865 178.986 176.094 0.045 0.000 1.049 199 V CA 1.717 64.074 62.300 0.095 0.000 1.024 199 V CB -1.442 30.439 31.823 0.097 0.000 0.648 199 V HN 0.648 nan 8.190 nan 0.000 0.447 200 A N 0.815 123.651 122.820 0.026 0.000 1.883 200 A HA -0.253 4.067 4.320 -0.000 0.000 0.217 200 A C 2.574 180.148 177.584 -0.017 0.000 1.186 200 A CA 2.673 54.714 52.037 0.007 0.000 0.624 200 A CB -0.906 18.099 19.000 0.008 0.000 0.822 200 A HN 0.703 nan 8.150 nan 0.000 0.444 201 S N -0.153 115.530 115.700 -0.028 0.000 2.383 201 S HA -0.076 4.394 4.470 -0.000 0.000 0.227 201 S C 1.900 176.433 174.600 -0.111 0.000 1.026 201 S CA 1.438 59.605 58.200 -0.057 0.000 0.981 201 S CB -0.702 62.470 63.200 -0.047 0.000 0.818 201 S HN 0.425 nan 8.310 nan 0.000 0.472 202 L N 0.693 121.818 121.223 -0.163 0.000 2.056 202 L HA -0.064 4.275 4.340 -0.000 0.000 0.207 202 L C 2.957 179.662 176.870 -0.276 0.000 1.078 202 L CA 1.027 55.653 54.840 -0.356 0.000 0.749 202 L CB -0.826 40.792 42.059 -0.734 0.000 0.901 202 L HN 0.429 nan 8.230 nan 0.000 0.433 203 C N -0.331 118.916 119.300 -0.088 0.000 2.413 203 C HA -0.190 4.270 4.460 -0.000 0.000 0.276 203 C C 2.876 177.883 174.990 0.028 0.000 1.248 203 C CA 0.857 59.916 59.018 0.068 0.000 1.742 203 C CB -0.828 26.961 27.740 0.081 0.000 2.017 203 C HN 0.545 nan 8.230 nan 0.000 0.481 204 Q N -0.096 119.691 119.800 -0.021 0.000 2.079 204 Q HA -0.248 4.092 4.340 -0.000 0.000 0.200 204 Q C 2.272 178.230 176.000 -0.070 0.000 0.974 204 Q CA 1.447 57.231 55.803 -0.032 0.000 0.840 204 Q CB -0.323 28.395 28.738 -0.033 0.000 0.898 204 Q HN 0.735 nan 8.270 nan 0.000 0.430 205 Q N 0.193 119.911 119.800 -0.136 0.000 2.050 205 Q HA -0.186 4.154 4.340 -0.000 0.000 0.202 205 Q C 1.364 177.181 176.000 -0.306 0.000 0.980 205 Q CA 1.222 56.871 55.803 -0.257 0.000 0.840 205 Q CB 0.146 28.650 28.738 -0.390 0.000 0.898 205 Q HN 0.533 nan 8.270 nan 0.000 0.424 206 H N -0.373 118.651 119.070 -0.078 0.000 2.539 206 H HA 0.053 4.609 4.556 -0.000 0.000 0.269 206 H C -0.225 175.126 175.328 0.038 0.000 0.980 206 H CA 0.678 56.729 56.048 0.004 0.000 1.152 206 H CB 0.402 30.218 29.762 0.090 0.000 1.407 206 H HN 0.368 nan 8.280 nan 0.000 0.564 207 D N 1.005 121.460 120.400 0.092 0.000 2.828 207 D HA -0.162 4.478 4.640 -0.000 0.000 0.241 207 D C -0.954 175.397 176.300 0.085 0.000 1.142 207 D CA 0.212 54.252 54.000 0.065 0.000 0.755 207 D CB -1.316 39.509 40.800 0.041 0.000 1.014 207 D HN 0.027 nan 8.370 nan 0.000 0.420 208 V N 0.910 120.888 119.914 0.107 0.000 2.628 208 V HA 0.541 4.661 4.120 -0.000 0.000 0.306 208 V C 0.707 176.817 176.094 0.027 0.000 1.045 208 V CA -0.985 61.372 62.300 0.095 0.000 0.905 208 V CB 2.253 34.212 31.823 0.228 0.000 0.997 208 V HN 0.085 nan 8.190 nan 0.000 0.436 209 V N 2.804 122.697 119.914 -0.035 0.000 2.546 209 V HA 0.186 4.306 4.120 -0.000 0.000 0.284 209 V C 0.250 176.276 176.094 -0.114 0.000 1.050 209 V CA -0.303 61.941 62.300 -0.093 0.000 0.981 209 V CB 1.349 33.085 31.823 -0.145 0.000 0.990 209 V HN 1.025 nan 8.190 nan 0.000 0.474 210 C N 7.514 126.740 119.300 -0.124 0.000 2.239 210 C HA 0.547 5.007 4.460 -0.000 0.000 0.325 210 C C 0.161 175.024 174.990 -0.211 0.000 1.231 210 C CA -0.766 58.166 59.018 -0.143 0.000 1.652 210 C CB -1.364 26.314 27.740 -0.103 0.000 2.284 210 C HN 0.774 nan 8.230 nan 0.000 0.499 211 I N 5.914 126.322 120.570 -0.270 0.000 2.301 211 I HA 0.201 4.371 4.170 -0.000 0.000 0.292 211 I C 0.753 176.691 176.117 -0.298 0.000 1.046 211 I CA 0.552 61.655 61.300 -0.329 0.000 1.282 211 I CB 1.125 38.839 38.000 -0.477 0.000 1.409 211 I HN 0.602 nan 8.210 nan 0.000 0.484 212 T N 4.779 119.185 114.554 -0.246 0.000 2.772 212 T HA 0.148 4.498 4.350 -0.000 0.000 0.288 212 T C -0.540 174.044 174.700 -0.192 0.000 0.994 212 T CA -0.629 61.344 62.100 -0.212 0.000 0.951 212 T CB 0.447 69.213 68.868 -0.170 0.000 0.933 212 T HN 0.463 nan 8.240 nan 0.000 0.447 213 D N 4.189 124.482 120.400 -0.178 0.000 2.396 213 D HA 0.203 4.843 4.640 -0.000 0.000 0.225 213 D C 0.328 176.547 176.300 -0.135 0.000 1.121 213 D CA -0.266 53.643 54.000 -0.151 0.000 0.853 213 D CB 0.881 41.648 40.800 -0.055 0.000 1.043 213 D HN 0.649 nan 8.370 nan 0.000 0.500 214 E N 2.752 122.846 120.200 -0.177 0.000 2.736 214 E HA 0.039 4.389 4.350 -0.000 0.000 0.208 214 E C 1.785 178.207 176.600 -0.297 0.000 0.996 214 E CA -0.060 56.245 56.400 -0.158 0.000 1.104 214 E CB 0.877 30.535 29.700 -0.069 0.000 1.111 214 E HN 0.432 nan 8.360 nan 0.000 0.455 215 V N -1.615 118.069 119.914 -0.384 0.000 2.469 215 V HA -0.266 3.854 4.120 -0.000 0.000 0.251 215 V C 1.405 177.148 176.094 -0.585 0.000 1.064 215 V CA 1.411 63.383 62.300 -0.547 0.000 1.066 215 V CB -0.798 30.582 31.823 -0.737 0.000 0.667 215 V HN 0.281 nan 8.190 nan 0.000 0.461 216 Y N 1.107 121.248 120.300 -0.266 0.000 2.470 216 Y HA 0.228 4.778 4.550 -0.000 0.000 0.284 216 Y C 2.425 178.137 175.900 -0.313 0.000 1.188 216 Y CA 0.262 58.211 58.100 -0.251 0.000 1.269 216 Y CB -0.739 37.583 38.460 -0.230 0.000 1.094 216 Y HN 0.412 nan 8.280 nan 0.000 0.518 217 Q N -0.069 119.461 119.800 -0.451 0.000 2.182 217 Q HA -0.279 4.061 4.340 -0.000 0.000 0.213 217 Q C 0.929 176.443 176.000 -0.809 0.000 1.000 217 Q CA 2.946 58.144 55.803 -1.007 0.000 0.889 217 Q CB -0.365 27.627 28.738 -1.242 0.000 0.932 217 Q HN 0.664 nan 8.270 nan 0.000 0.415 218 W N -0.718 120.452 121.300 -0.217 0.000 3.003 218 W HA 0.193 4.853 4.660 -0.000 0.000 0.257 218 W C 0.289 176.763 176.519 -0.074 0.000 1.308 218 W CA -0.636 56.603 57.345 -0.177 0.000 1.529 218 W CB 0.461 29.709 29.460 -0.354 0.000 1.115 218 W HN 0.073 nan 8.180 nan 0.000 0.659 219 M N 2.311 121.955 119.600 0.072 0.000 3.176 219 M HA 0.236 4.716 4.480 -0.000 0.000 0.284 219 M C -0.304 175.725 176.300 -0.452 0.000 1.392 219 M CA -0.469 54.787 55.300 -0.073 0.000 1.520 219 M CB -1.266 31.416 32.600 0.138 0.000 1.100 219 M HN -0.208 nan 8.290 nan 0.000 0.555 220 V N 0.233 119.839 119.914 -0.513 0.000 2.735 220 V HA 0.780 4.900 4.120 -0.000 0.000 0.310 220 V C -1.279 174.516 176.094 -0.498 0.000 1.061 220 V CA -0.855 61.159 62.300 -0.476 0.000 0.913 220 V CB 2.040 33.805 31.823 -0.097 0.000 1.005 220 V HN 0.529 nan 8.190 nan 0.000 0.428 221 Y N 0.144 120.530 120.300 0.143 0.000 2.662 221 Y HA 0.644 5.193 4.550 -0.000 0.000 0.335 221 Y C 0.481 176.481 175.900 0.167 0.000 1.066 221 Y CA -1.033 57.137 58.100 0.117 0.000 1.116 221 Y CB 0.828 39.327 38.460 0.064 0.000 1.308 221 Y HN 0.762 nan 8.280 nan 0.000 0.502 222 D N 0.375 120.941 120.400 0.278 0.000 2.751 222 D HA -0.172 4.468 4.640 -0.000 0.000 0.233 222 D C 1.279 177.597 176.300 0.031 0.000 1.149 222 D CA 1.911 56.008 54.000 0.162 0.000 0.682 222 D CB -1.286 39.651 40.800 0.228 0.000 1.068 222 D HN 1.122 nan 8.370 nan 0.000 0.429 223 G N -0.950 107.873 108.800 0.040 0.000 2.184 223 G HA2 -0.370 3.590 3.960 -0.000 0.000 0.264 223 G HA3 -0.370 3.590 3.960 -0.000 0.000 0.264 223 G C 0.324 175.185 174.900 -0.065 0.000 0.975 223 G CA 0.522 45.602 45.100 -0.032 0.000 0.642 223 G HN 0.660 nan 8.290 nan 0.000 0.536 224 H N 0.913 120.016 119.070 0.056 0.000 2.871 224 H HA 0.293 4.849 4.556 -0.000 0.000 0.355 224 H C 0.429 175.783 175.328 0.042 0.000 1.092 224 H CA 0.512 56.588 56.048 0.047 0.000 1.420 224 H CB 0.646 30.438 29.762 0.050 0.000 1.400 224 H HN 0.280 nan 8.280 nan 0.000 0.604 225 Q N 1.824 121.721 119.800 0.161 0.000 2.282 225 Q HA 0.115 4.455 4.340 -0.000 0.000 0.260 225 Q C -0.333 175.729 176.000 0.103 0.000 0.964 225 Q CA -0.764 55.104 55.803 0.107 0.000 0.880 225 Q CB 1.735 30.515 28.738 0.069 0.000 1.286 225 Q HN 0.615 nan 8.270 nan 0.000 0.445 226 H N 2.106 121.169 119.070 -0.012 0.000 2.742 226 H HA 0.400 4.956 4.556 -0.000 0.000 0.302 226 H C -0.820 174.483 175.328 -0.042 0.000 1.069 226 H CA 0.100 56.114 56.048 -0.055 0.000 1.446 226 H CB 0.151 29.811 29.762 -0.169 0.000 1.462 226 H HN 0.474 nan 8.280 nan 0.000 0.499 227 I N 4.216 124.482 120.570 -0.508 0.000 2.433 227 I HA 0.202 4.372 4.170 -0.000 0.000 0.292 227 I C -0.242 175.547 176.117 -0.546 0.000 1.001 227 I CA -0.647 60.431 61.300 -0.370 0.000 1.119 227 I CB 1.953 39.868 38.000 -0.142 0.000 1.289 227 I HN 0.557 nan 8.210 nan 0.000 0.438 228 S N 5.650 121.154 115.700 -0.326 0.000 2.475 228 S HA 0.341 4.810 4.470 -0.000 0.000 0.281 228 S C 1.098 175.644 174.600 -0.091 0.000 1.198 228 S CA -0.547 57.543 58.200 -0.182 0.000 1.063 228 S CB 1.527 64.714 63.200 -0.022 0.000 0.972 228 S HN 0.615 nan 8.310 nan 0.000 0.486 229 I N 2.851 123.370 120.570 -0.085 0.000 2.454 229 I HA -0.189 3.981 4.170 -0.000 0.000 0.254 229 I C 2.165 178.282 176.117 -0.001 0.000 1.156 229 I CA 0.912 62.183 61.300 -0.048 0.000 1.433 229 I CB -0.202 37.756 38.000 -0.069 0.000 1.082 229 I HN 0.805 nan 8.210 nan 0.000 0.432 230 A N 0.021 122.857 122.820 0.026 0.000 2.121 230 A HA -0.177 4.143 4.320 -0.000 0.000 0.218 230 A C 2.311 179.988 177.584 0.156 0.000 1.154 230 A CA 1.580 53.688 52.037 0.119 0.000 0.679 230 A CB -0.657 18.456 19.000 0.189 0.000 0.795 230 A HN 0.602 nan 8.150 nan 0.000 0.458 231 S N -1.279 114.468 115.700 0.078 0.000 2.562 231 S HA 0.243 4.713 4.470 -0.000 0.000 0.221 231 S C 0.383 175.003 174.600 0.034 0.000 0.975 231 S CA -0.261 57.967 58.200 0.047 0.000 0.918 231 S CB -0.450 62.759 63.200 0.015 0.000 0.772 231 S HN 0.154 nan 8.310 nan 0.000 0.531 232 L N 2.596 123.841 121.223 0.036 0.000 2.417 232 L HA 0.449 4.789 4.340 -0.000 0.000 0.268 232 L C -2.345 174.548 176.870 0.037 0.000 1.158 232 L CA -1.980 52.876 54.840 0.026 0.000 0.819 232 L CB -0.314 41.756 42.059 0.018 0.000 1.112 232 L HN -0.015 nan 8.230 nan 0.000 0.458 233 P HA 0.090 nan 4.420 nan 0.000 0.258 233 P C 0.714 178.035 177.300 0.035 0.000 1.172 233 P CA 1.099 64.214 63.100 0.026 0.000 0.762 233 P CB 0.350 32.059 31.700 0.013 0.000 0.764 234 G N 3.220 112.051 108.800 0.051 0.000 2.184 234 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.264 234 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.264 234 G C 0.945 175.888 174.900 0.071 0.000 0.975 234 G CA 0.200 45.334 45.100 0.056 0.000 0.642 234 G HN 0.389 nan 8.290 nan 0.000 0.536 235 M N -0.723 118.928 119.600 0.084 0.000 2.388 235 M HA 0.208 4.688 4.480 -0.000 0.000 0.265 235 M C 2.075 178.435 176.300 0.100 0.000 1.088 235 M CA 0.529 55.870 55.300 0.069 0.000 1.134 235 M CB -1.099 31.530 32.600 0.048 0.000 1.384 235 M HN 0.601 nan 8.290 nan 0.000 0.447 236 W N 2.511 123.805 121.300 -0.011 0.000 2.321 236 W HA -0.214 4.446 4.660 -0.000 0.000 0.306 236 W C 1.012 177.537 176.519 0.010 0.000 1.217 236 W CA 1.433 58.772 57.345 -0.010 0.000 1.257 236 W CB -0.069 29.387 29.460 -0.007 0.000 1.145 236 W HN 0.196 nan 8.180 nan 0.000 0.509 237 E N 0.492 120.728 120.200 0.060 0.000 2.516 237 E HA -0.159 4.191 4.350 -0.000 0.000 0.199 237 E C 1.467 178.069 176.600 0.003 0.000 1.069 237 E CA 1.037 57.462 56.400 0.041 0.000 0.876 237 E CB -0.322 29.458 29.700 0.134 0.000 0.843 237 E HN 0.626 nan 8.360 nan 0.000 0.530 238 R N -0.859 119.589 120.500 -0.087 0.000 2.592 238 R HA 0.253 4.593 4.340 -0.000 0.000 0.439 238 R C -0.229 175.974 176.300 -0.161 0.000 0.995 238 R CA -0.194 55.850 56.100 -0.094 0.000 1.141 238 R CB 0.194 30.479 30.300 -0.024 0.000 1.495 238 R HN -0.222 nan 8.270 nan 0.000 0.579 239 T N 1.687 116.094 114.554 -0.246 0.000 2.863 239 T HA 0.519 4.869 4.350 -0.000 0.000 0.285 239 T C -0.769 173.726 174.700 -0.341 0.000 1.009 239 T CA -0.512 61.444 62.100 -0.240 0.000 0.989 239 T CB 2.228 71.004 68.868 -0.154 0.000 1.004 239 T HN 0.085 nan 8.240 nan 0.000 0.455 240 L N 2.545 123.596 121.223 -0.287 0.000 2.325 240 L HA 0.515 4.855 4.340 -0.000 0.000 0.281 240 L C -0.041 176.695 176.870 -0.223 0.000 1.004 240 L CA -0.746 53.921 54.840 -0.288 0.000 0.823 240 L CB 1.875 43.762 42.059 -0.285 0.000 1.236 240 L HN 0.594 nan 8.230 nan 0.000 0.415 241 T N 4.325 118.773 114.554 -0.176 0.000 2.771 241 T HA 0.612 4.962 4.350 -0.000 0.000 0.281 241 T C -0.157 174.460 174.700 -0.138 0.000 0.982 241 T CA -0.224 61.801 62.100 -0.126 0.000 0.978 241 T CB 1.234 70.074 68.868 -0.046 0.000 0.930 241 T HN 0.254 nan 8.240 nan 0.000 0.447 242 I N 2.324 122.774 120.570 -0.200 0.000 2.441 242 I HA 0.676 4.846 4.170 -0.000 0.000 0.295 242 I C 0.704 176.547 176.117 -0.456 0.000 0.994 242 I CA -0.459 60.658 61.300 -0.306 0.000 1.144 242 I CB 1.908 39.750 38.000 -0.263 0.000 1.314 242 I HN 0.732 nan 8.210 nan 0.000 0.445 243 G N 2.545 110.790 108.800 -0.924 0.000 2.730 243 G HA2 0.638 4.597 3.960 -0.000 0.000 0.289 243 G HA3 0.638 4.597 3.960 -0.000 0.000 0.289 243 G C -1.629 172.389 174.900 -1.471 0.000 1.341 243 G CA -0.517 43.891 45.100 -1.153 0.000 0.932 243 G HN 0.461 nan 8.290 nan 0.000 0.481 244 S N -1.107 113.980 115.700 -1.022 0.000 2.677 244 S HA 0.537 5.007 4.470 -0.000 0.000 0.283 244 S C 1.044 175.531 174.600 -0.188 0.000 1.159 244 S CA 0.455 58.292 58.200 -0.604 0.000 1.001 244 S CB 1.327 64.296 63.200 -0.385 0.000 1.032 244 S HN 1.487 nan 8.310 nan 0.000 0.487 245 A N 4.425 127.335 122.820 0.150 0.000 1.978 245 A HA 0.253 4.573 4.320 -0.000 0.000 0.220 245 A C 1.428 179.131 177.584 0.198 0.000 1.170 245 A CA 1.445 53.772 52.037 0.483 0.000 0.636 245 A CB -1.321 18.099 19.000 0.700 0.000 0.810 245 A HN 1.116 nan 8.150 nan 0.000 0.448 249 F N 2.620 122.584 119.950 0.023 0.000 2.647 249 F HA 0.517 5.044 4.527 -0.000 0.000 0.300 249 F C 0.936 176.501 175.800 -0.393 0.000 1.106 249 F CA -0.423 57.409 58.000 -0.281 0.000 1.313 249 F CB 0.110 38.761 39.000 -0.583 0.000 1.007 249 F HN -0.004 nan 8.300 nan 0.000 0.536 250 S N 1.023 116.701 115.700 -0.036 0.000 3.631 250 S HA -0.128 4.342 4.470 -0.000 0.000 0.366 250 S C 0.361 174.825 174.600 -0.228 0.000 0.993 250 S CA 0.570 58.730 58.200 -0.068 0.000 1.167 250 S CB -1.495 61.634 63.200 -0.118 0.000 0.909 250 S HN 0.599 nan 8.310 nan 0.000 0.478 251 A N 0.305 122.936 122.820 -0.316 0.000 3.370 251 A HA 0.622 4.942 4.320 -0.000 0.000 0.295 251 A C 1.098 178.499 177.584 -0.304 0.000 1.030 251 A CA 0.277 51.987 52.037 -0.544 0.000 0.883 251 A CB 0.028 18.147 19.000 -1.468 0.000 1.191 251 A HN 0.745 nan 8.150 nan 0.000 0.507 252 T N -2.744 111.752 114.554 -0.096 0.000 2.929 252 T HA -0.061 4.289 4.350 -0.000 0.000 0.271 252 T C 1.650 176.365 174.700 0.026 0.000 1.085 252 T CA 1.786 63.885 62.100 -0.000 0.000 1.125 252 T CB -0.129 68.768 68.868 0.048 0.000 0.874 252 T HN 0.708 nan 8.240 nan 0.000 0.494 253 G N -0.559 108.264 108.800 0.039 0.000 2.744 253 G HA2 0.068 4.028 3.960 -0.000 0.000 0.211 253 G HA3 0.068 4.028 3.960 -0.000 0.000 0.211 253 G C 0.949 176.045 174.900 0.327 0.000 1.143 253 G CA -0.205 44.969 45.100 0.124 0.000 0.788 253 G HN 0.470 nan 8.290 nan 0.000 0.534 254 W N 0.402 121.737 121.300 0.058 0.000 2.436 254 W HA 0.198 4.858 4.660 -0.000 0.000 0.284 254 W C 0.951 177.505 176.519 0.059 0.000 1.225 254 W CA 0.013 57.398 57.345 0.066 0.000 1.271 254 W CB 0.064 29.534 29.460 0.017 0.000 1.114 254 W HN 0.029 nan 8.180 nan 0.000 0.559 255 K N -0.141 120.429 120.400 0.282 0.000 3.257 255 K HA -0.163 4.157 4.320 -0.000 0.000 0.270 255 K C -0.806 175.916 176.600 0.203 0.000 0.984 255 K CA 0.505 56.906 56.287 0.191 0.000 0.739 255 K CB -2.160 30.423 32.500 0.139 0.000 1.351 255 K HN 0.006 nan 8.250 nan 0.000 0.463 256 V N -0.234 119.831 119.914 0.251 0.000 2.448 256 V HA 0.783 4.902 4.120 -0.000 0.000 0.295 256 V C 1.042 177.282 176.094 0.243 0.000 1.025 256 V CA -0.123 62.347 62.300 0.284 0.000 0.859 256 V CB 2.106 34.149 31.823 0.367 0.000 0.988 256 V HN 0.520 nan 8.190 nan 0.000 0.431 257 G N 3.127 112.038 108.800 0.186 0.000 3.022 257 G HA2 0.860 4.820 3.960 -0.000 0.000 0.284 257 G HA3 0.860 4.820 3.960 -0.000 0.000 0.284 257 G C -1.862 173.142 174.900 0.173 0.000 1.375 257 G CA -0.628 44.414 45.100 -0.097 0.000 0.902 257 G HN 0.982 nan 8.290 nan 0.000 0.538 258 W N -1.945 119.387 121.300 0.053 0.000 3.153 258 W HA 0.675 5.335 4.660 -0.000 0.000 0.316 258 W C -1.766 174.716 176.519 -0.061 0.000 1.255 258 W CA -1.324 56.025 57.345 0.007 0.000 1.192 258 W CB 1.021 30.485 29.460 0.008 0.000 1.400 258 W HN 0.413 nan 8.180 nan 0.000 0.568 259 V N 2.673 122.681 119.914 0.157 0.000 2.604 259 V HA 0.611 4.731 4.120 -0.000 0.000 0.305 259 V C -0.235 175.900 176.094 0.068 0.000 1.043 259 V CA -1.137 61.182 62.300 0.031 0.000 0.888 259 V CB 1.380 33.165 31.823 -0.064 0.000 0.995 259 V HN 0.587 nan 8.190 nan 0.000 0.429 260 L N 3.794 125.035 121.223 0.031 0.000 2.329 260 L HA 1.026 5.366 4.340 -0.000 0.000 0.279 260 L C 0.493 177.254 176.870 -0.181 0.000 1.014 260 L CA -0.203 54.656 54.840 0.032 0.000 0.814 260 L CB 1.816 43.964 42.059 0.148 0.000 1.257 260 L HN 0.869 nan 8.230 nan 0.000 0.424 261 G N 2.123 110.726 108.800 -0.330 0.000 2.441 261 G HA2 0.434 4.394 3.960 -0.000 0.000 0.294 261 G HA3 0.434 4.394 3.960 -0.000 0.000 0.294 261 G C -3.319 171.111 174.900 -0.783 0.000 1.393 261 G CA -0.658 43.929 45.100 -0.855 0.000 0.796 261 G HN 0.281 nan 8.290 nan 0.000 0.494 262 P HA 0.213 nan 4.420 nan 0.000 0.274 262 P C 0.008 177.163 177.300 -0.242 0.000 1.231 262 P CA 0.070 62.927 63.100 -0.404 0.000 0.790 262 P CB 1.999 33.464 31.700 -0.392 0.000 0.951 263 D N 0.922 121.300 120.400 -0.037 0.000 2.158 263 D HA -0.256 4.384 4.640 -0.000 0.000 0.197 263 D C 1.743 177.965 176.300 -0.130 0.000 0.995 263 D CA 1.453 55.409 54.000 -0.073 0.000 0.846 263 D CB -0.280 40.519 40.800 -0.002 0.000 0.941 263 D HN 0.523 nan 8.370 nan 0.000 0.456 264 H N -0.208 118.785 119.070 -0.129 0.000 2.491 264 H HA -0.032 4.524 4.556 -0.000 0.000 0.290 264 H C 2.011 177.257 175.328 -0.137 0.000 1.050 264 H CA 0.940 56.910 56.048 -0.129 0.000 1.309 264 H CB -0.365 29.356 29.762 -0.068 0.000 1.392 264 H HN 0.327 nan 8.280 nan 0.000 0.554 265 I N 0.279 120.449 120.570 -0.666 0.000 2.512 265 I HA -0.126 4.044 4.170 -0.000 0.000 0.247 265 I C 2.458 178.392 176.117 -0.305 0.000 1.094 265 I CA 0.209 61.250 61.300 -0.431 0.000 1.427 265 I CB -0.162 37.516 38.000 -0.536 0.000 1.149 265 I HN 0.024 nan 8.210 nan 0.000 0.438 266 M N 1.844 121.241 119.600 -0.339 0.000 2.144 266 M HA -0.228 4.252 4.480 -0.000 0.000 0.260 266 M C 2.289 178.401 176.300 -0.314 0.000 1.067 266 M CA 1.784 56.909 55.300 -0.291 0.000 1.095 266 M CB -1.121 31.318 32.600 -0.268 0.000 1.365 266 M HN 0.353 nan 8.290 nan 0.000 0.406 267 K N -0.859 119.319 120.400 -0.371 0.000 2.211 267 K HA -0.195 4.124 4.320 -0.000 0.000 0.204 267 K C 1.504 177.877 176.600 -0.379 0.000 1.047 267 K CA 1.392 57.433 56.287 -0.410 0.000 0.935 267 K CB -0.521 31.726 32.500 -0.422 0.000 0.728 267 K HN 0.422 nan 8.250 nan 0.000 0.452 268 H N 0.608 119.585 119.070 -0.155 0.000 2.403 268 H HA 0.041 4.597 4.556 -0.000 0.000 0.298 268 H C 2.171 177.429 175.328 -0.117 0.000 1.059 268 H CA 0.919 56.895 56.048 -0.120 0.000 1.363 268 H CB -0.073 29.618 29.762 -0.118 0.000 1.410 268 H HN 0.094 nan 8.280 nan 0.000 0.528 269 L N 0.823 122.016 121.223 -0.051 0.000 2.083 269 L HA -0.136 4.204 4.340 -0.000 0.000 0.209 269 L C 2.678 179.516 176.870 -0.053 0.000 1.083 269 L CA 1.318 56.118 54.840 -0.067 0.000 0.752 269 L CB -0.372 41.619 42.059 -0.114 0.000 0.899 269 L HN 0.088 nan 8.230 nan 0.000 0.433 270 R N -1.227 119.167 120.500 -0.177 0.000 2.096 270 R HA -0.129 4.211 4.340 -0.000 0.000 0.235 270 R C 2.163 178.484 176.300 0.035 0.000 1.127 270 R CA 1.748 57.714 56.100 -0.225 0.000 0.968 270 R CB -0.793 29.057 30.300 -0.749 0.000 0.861 270 R HN 0.374 nan 8.270 nan 0.000 0.440 271 T N 0.819 115.376 114.554 0.005 0.000 2.708 271 T HA -0.103 4.247 4.350 -0.000 0.000 0.266 271 T C 2.037 176.788 174.700 0.084 0.000 1.037 271 T CA 1.387 63.524 62.100 0.061 0.000 1.146 271 T CB -0.184 68.719 68.868 0.059 0.000 0.865 271 T HN -0.005 nan 8.240 nan 0.000 0.435 272 V N 1.264 121.221 119.914 0.073 0.000 2.261 272 V HA -0.235 3.885 4.120 -0.000 0.000 0.246 272 V C 2.367 178.541 176.094 0.133 0.000 1.047 272 V CA 1.822 64.167 62.300 0.075 0.000 1.015 272 V CB -0.798 31.038 31.823 0.023 0.000 0.642 272 V HN 0.624 nan 8.190 nan 0.000 0.446 273 H N 0.493 119.608 119.070 0.076 0.000 2.321 273 H HA -0.270 4.285 4.556 -0.000 0.000 0.295 273 H C 2.457 177.820 175.328 0.059 0.000 1.102 273 H CA 2.475 58.584 56.048 0.103 0.000 1.266 273 H CB -0.014 29.831 29.762 0.138 0.000 1.363 273 H HN 0.619 nan 8.280 nan 0.000 0.492 274 Q N -0.029 119.827 119.800 0.094 0.000 2.364 274 Q HA -0.081 4.258 4.340 -0.000 0.000 0.207 274 Q C 0.606 176.640 176.000 0.056 0.000 0.970 274 Q CA 1.035 56.785 55.803 -0.089 0.000 0.888 274 Q CB 0.106 28.815 28.738 -0.048 0.000 0.951 274 Q HN 0.414 nan 8.270 nan 0.000 0.469 275 N N 0.172 118.916 118.700 0.073 0.000 2.214 275 N HA 0.057 4.796 4.740 -0.000 0.000 0.214 275 N C 0.333 175.896 175.510 0.087 0.000 1.132 275 N CA 0.686 53.791 53.050 0.093 0.000 0.856 275 N CB 1.237 39.774 38.487 0.084 0.000 1.020 275 N HN 0.364 nan 8.380 nan 0.000 0.509 276 S N -0.939 114.799 115.700 0.063 0.000 3.597 276 S HA 0.031 4.501 4.470 -0.000 0.000 0.206 276 S C 1.575 176.195 174.600 0.033 0.000 0.948 276 S CA 0.307 58.555 58.200 0.081 0.000 0.863 276 S CB -0.414 62.885 63.200 0.165 0.000 1.015 276 S HN -0.055 nan 8.310 nan 0.000 0.616 277 V N -2.374 117.498 119.914 -0.069 0.000 3.431 277 V HA 0.443 4.563 4.120 -0.000 0.000 0.253 277 V C 1.421 177.490 176.094 -0.042 0.000 1.184 277 V CA 0.727 62.995 62.300 -0.053 0.000 1.104 277 V CB -0.746 31.051 31.823 -0.042 0.000 0.799 277 V HN 0.573 nan 8.190 nan 0.000 0.462 278 F N 0.436 120.112 119.950 -0.456 0.000 2.565 278 F HA -0.324 4.203 4.527 -0.000 0.000 0.684 278 F C 0.889 176.379 175.800 -0.517 0.000 0.487 278 F CA 2.479 60.168 58.000 -0.517 0.000 0.725 278 F CB -0.890 37.784 39.000 -0.545 0.000 1.613 278 F HN 0.498 nan 8.300 nan 0.000 0.264 279 H N -1.394 117.785 119.070 0.180 0.000 2.679 279 H HA 0.560 5.116 4.556 -0.000 0.000 0.367 279 H C -0.627 174.832 175.328 0.218 0.000 1.162 279 H CA -0.686 55.491 56.048 0.214 0.000 1.181 279 H CB 1.345 31.233 29.762 0.210 0.000 1.693 279 H HN 0.140 nan 8.280 nan 0.000 0.538 280 C N 2.064 121.599 119.300 0.392 0.000 2.351 280 C HA 0.300 4.760 4.460 -0.000 0.000 0.359 280 C C -1.835 173.294 174.990 0.233 0.000 1.193 280 C CA -1.187 58.008 59.018 0.295 0.000 2.270 280 C CB 0.755 28.665 27.740 0.284 0.000 2.369 280 C HN 0.613 nan 8.230 nan 0.000 0.553 281 P HA 0.127 nan 4.420 nan 0.000 0.266 281 P C 0.502 177.822 177.300 0.033 0.000 1.195 281 P CA 0.462 63.617 63.100 0.092 0.000 0.768 281 P CB 0.415 32.154 31.700 0.064 0.000 0.838 282 T N 1.136 115.682 114.554 -0.013 0.000 2.732 282 T HA -0.138 4.211 4.350 -0.000 0.000 0.261 282 T C 1.628 176.147 174.700 -0.301 0.000 1.040 282 T CA 1.443 63.465 62.100 -0.131 0.000 1.145 282 T CB -0.323 68.484 68.868 -0.101 0.000 0.866 282 T HN 0.492 nan 8.240 nan 0.000 0.427 283 Q N 1.029 120.712 119.800 -0.194 0.000 2.083 283 Q HA -0.056 4.284 4.340 -0.000 0.000 0.198 283 Q C 2.736 178.488 176.000 -0.412 0.000 0.969 283 Q CA 1.538 57.220 55.803 -0.201 0.000 0.838 283 Q CB -0.189 28.567 28.738 0.031 0.000 0.900 283 Q HN 0.620 nan 8.270 nan 0.000 0.436 284 S N 0.607 115.999 115.700 -0.513 0.000 2.383 284 S HA -0.267 4.203 4.470 -0.000 0.000 0.229 284 S C 1.894 176.175 174.600 -0.532 0.000 1.030 284 S CA 1.214 58.828 58.200 -0.977 0.000 1.002 284 S CB -0.349 62.473 63.200 -0.630 0.000 0.829 284 S HN 0.335 nan 8.310 nan 0.000 0.467 285 Q N 1.240 120.882 119.800 -0.264 0.000 2.084 285 Q HA -0.032 4.308 4.340 -0.000 0.000 0.202 285 Q C 2.683 178.632 176.000 -0.085 0.000 0.978 285 Q CA 1.489 57.254 55.803 -0.064 0.000 0.844 285 Q CB -0.602 28.159 28.738 0.038 0.000 0.898 285 Q HN 0.785 nan 8.270 nan 0.000 0.426 286 A N 1.136 123.722 122.820 -0.390 0.000 1.908 286 A HA -0.164 4.156 4.320 -0.000 0.000 0.218 286 A C 2.303 179.816 177.584 -0.117 0.000 1.181 286 A CA 1.688 53.577 52.037 -0.247 0.000 0.627 286 A CB -0.784 17.966 19.000 -0.417 0.000 0.818 286 A HN 0.416 nan 8.150 nan 0.000 0.445 287 A N -0.635 121.990 122.820 -0.326 0.000 1.902 287 A HA -0.005 4.315 4.320 -0.000 0.000 0.217 287 A C 2.228 179.729 177.584 -0.139 0.000 1.181 287 A CA 1.820 53.639 52.037 -0.362 0.000 0.623 287 A CB -0.900 17.500 19.000 -0.999 0.000 0.818 287 A HN 0.404 nan 8.150 nan 0.000 0.443 288 V N -0.181 119.716 119.914 -0.027 0.000 2.358 288 V HA -0.220 3.900 4.120 -0.000 0.000 0.246 288 V C 3.045 179.278 176.094 0.231 0.000 1.047 288 V CA 1.805 64.223 62.300 0.196 0.000 1.035 288 V CB -1.243 30.832 31.823 0.420 0.000 0.658 288 V HN 0.619 nan 8.190 nan 0.000 0.452 289 A N -0.113 122.849 122.820 0.236 0.000 1.883 289 A HA -0.306 4.014 4.320 -0.000 0.000 0.217 289 A C 2.301 179.983 177.584 0.164 0.000 1.186 289 A CA 2.175 54.364 52.037 0.253 0.000 0.624 289 A CB -0.574 18.583 19.000 0.261 0.000 0.822 289 A HN 0.632 nan 8.150 nan 0.000 0.444 290 E N -0.146 120.110 120.200 0.093 0.000 2.110 290 E HA -0.141 4.209 4.350 -0.000 0.000 0.193 290 E C 2.048 178.650 176.600 0.004 0.000 0.988 290 E CA 1.322 57.754 56.400 0.053 0.000 0.804 290 E CB -0.090 29.649 29.700 0.064 0.000 0.745 290 E HN 0.565 nan 8.360 nan 0.000 0.458 291 S N -0.046 115.590 115.700 -0.106 0.000 2.383 291 S HA -0.097 4.373 4.470 -0.000 0.000 0.227 291 S C 1.489 175.981 174.600 -0.180 0.000 1.026 291 S CA 0.845 58.868 58.200 -0.295 0.000 0.981 291 S CB -0.286 62.198 63.200 -1.192 0.000 0.818 291 S HN 0.273 nan 8.310 nan 0.000 0.472 292 F N 1.890 121.860 119.950 0.035 0.000 2.206 292 F HA 0.029 4.556 4.527 -0.000 0.000 0.298 292 F C 2.317 177.976 175.800 -0.236 0.000 1.090 292 F CA 0.603 58.622 58.000 0.032 0.000 1.323 292 F CB -0.569 38.491 39.000 0.100 0.000 1.028 292 F HN 0.211 nan 8.300 nan 0.000 0.492 293 E N -0.451 119.764 120.200 0.026 0.000 2.077 293 E HA -0.227 4.123 4.350 -0.000 0.000 0.193 293 E C 2.404 178.910 176.600 -0.156 0.000 0.989 293 E CA 0.793 57.147 56.400 -0.077 0.000 0.800 293 E CB -0.178 29.505 29.700 -0.028 0.000 0.746 293 E HN 0.113 nan 8.360 nan 0.000 0.452 294 R N 1.047 121.438 120.500 -0.182 0.000 2.073 294 R HA -0.161 4.179 4.340 -0.000 0.000 0.234 294 R C 1.792 177.842 176.300 -0.417 0.000 1.134 294 R CA 1.332 57.240 56.100 -0.320 0.000 0.952 294 R CB -0.047 29.969 30.300 -0.473 0.000 0.850 294 R HN 0.138 nan 8.270 nan 0.000 0.433 295 E N 0.460 120.388 120.200 -0.455 0.000 2.152 295 E HA -0.165 4.185 4.350 -0.000 0.000 0.192 295 E C 1.845 178.199 176.600 -0.411 0.000 0.983 295 E CA 0.654 56.729 56.400 -0.541 0.000 0.818 295 E CB -0.106 29.084 29.700 -0.849 0.000 0.758 295 E HN 0.452 nan 8.360 nan 0.000 0.467 296 Q N 0.259 119.739 119.800 -0.534 0.000 2.119 296 Q HA -0.142 4.198 4.340 -0.000 0.000 0.201 296 Q C 2.264 178.174 176.000 -0.150 0.000 0.972 296 Q CA 0.748 56.249 55.803 -0.504 0.000 0.847 296 Q CB -0.030 28.361 28.738 -0.580 0.000 0.903 296 Q HN 0.146 nan 8.270 nan 0.000 0.433 297 L N 0.460 121.592 121.223 -0.152 0.000 2.042 297 L HA -0.150 4.190 4.340 -0.000 0.000 0.210 297 L C 1.625 178.472 176.870 -0.039 0.000 1.076 297 L CA 1.640 56.430 54.840 -0.083 0.000 0.749 297 L CB -0.115 41.880 42.059 -0.107 0.000 0.893 297 L HN 0.248 nan 8.230 nan 0.000 0.432 298 L N -1.172 120.007 121.223 -0.075 0.000 2.685 298 L HA 0.111 4.451 4.340 -0.000 0.000 0.233 298 L C 0.025 176.922 176.870 0.046 0.000 1.173 298 L CA -0.660 54.151 54.840 -0.047 0.000 0.961 298 L CB -0.517 41.462 42.059 -0.132 0.000 1.217 298 L HN 0.050 nan 8.230 nan 0.000 0.478 299 F N 2.380 122.309 119.950 -0.035 0.000 2.590 299 F HA 0.030 4.557 4.527 -0.000 0.000 0.389 299 F C 1.404 177.267 175.800 0.105 0.000 1.049 299 F CA 0.238 58.286 58.000 0.080 0.000 1.199 299 F CB -0.064 39.051 39.000 0.191 0.000 1.058 299 F HN 0.197 nan 8.300 nan 0.000 0.556 300 R N 1.362 121.604 120.500 -0.431 0.000 3.653 300 R HA -0.223 4.117 4.340 -0.000 0.000 0.485 300 R C -0.002 176.226 176.300 -0.121 0.000 0.840 300 R CA 1.190 57.078 56.100 -0.354 0.000 1.409 300 R CB -1.307 28.750 30.300 -0.405 0.000 2.089 300 R HN 0.716 nan 8.270 nan 0.000 0.482 301 Q N 1.622 121.385 119.800 -0.062 0.000 2.340 301 Q HA 0.143 4.483 4.340 -0.000 0.000 0.249 301 Q C -1.484 174.509 176.000 -0.012 0.000 0.957 301 Q CA -1.614 54.172 55.803 -0.028 0.000 0.882 301 Q CB 0.746 29.472 28.738 -0.020 0.000 1.235 301 Q HN -0.024 nan 8.270 nan 0.000 0.439 302 P HA -0.166 nan 4.420 nan 0.000 0.225 302 P C 0.865 178.178 177.300 0.023 0.000 1.148 302 P CA 1.271 64.380 63.100 0.015 0.000 0.779 302 P CB 0.252 31.960 31.700 0.013 0.000 0.780 303 S N -1.348 114.357 115.700 0.008 0.000 2.593 303 S HA 0.054 4.524 4.470 -0.000 0.000 0.217 303 S C 0.997 175.595 174.600 -0.003 0.000 0.966 303 S CA -0.297 57.908 58.200 0.009 0.000 0.914 303 S CB -0.978 62.216 63.200 -0.010 0.000 0.776 303 S HN 0.220 nan 8.310 nan 0.000 0.523 304 S N 0.538 116.231 115.700 -0.011 0.000 2.576 304 S HA 0.286 4.756 4.470 -0.000 0.000 0.276 304 S C 0.572 175.215 174.600 0.072 0.000 1.339 304 S CA -0.628 57.544 58.200 -0.046 0.000 1.039 304 S CB 0.252 63.420 63.200 -0.053 0.000 0.902 304 S HN 0.318 nan 8.310 nan 0.000 0.516 305 Y N 2.507 122.754 120.300 -0.089 0.000 2.181 305 Y HA -0.064 4.486 4.550 -0.000 0.000 0.288 305 Y C 1.442 177.531 175.900 0.315 0.000 1.146 305 Y CA 1.441 59.620 58.100 0.132 0.000 1.164 305 Y CB -0.394 38.198 38.460 0.220 0.000 0.982 305 Y HN 0.760 nan 8.280 nan 0.000 0.515 306 F N -1.627 118.413 119.950 0.150 0.000 2.546 306 F HA -0.093 4.434 4.527 -0.000 0.000 0.298 306 F C 2.138 178.030 175.800 0.153 0.000 1.120 306 F CA 0.357 58.419 58.000 0.103 0.000 1.456 306 F CB -1.173 37.788 39.000 -0.065 0.000 1.088 306 F HN -0.048 nan 8.300 nan 0.000 0.572 307 V N -1.019 119.051 119.914 0.261 0.000 2.581 307 V HA -0.121 3.999 4.120 -0.000 0.000 0.240 307 V C 2.167 178.343 176.094 0.138 0.000 1.054 307 V CA 0.967 63.370 62.300 0.172 0.000 1.076 307 V CB -0.441 31.442 31.823 0.100 0.000 0.748 307 V HN 0.148 nan 8.190 nan 0.000 0.474 308 Q N -0.780 119.093 119.800 0.123 0.000 2.050 308 Q HA -0.202 4.138 4.340 -0.000 0.000 0.202 308 Q C 2.165 178.228 176.000 0.106 0.000 0.980 308 Q CA 2.094 57.962 55.803 0.108 0.000 0.840 308 Q CB -0.233 28.584 28.738 0.132 0.000 0.898 308 Q HN 0.582 nan 8.270 nan 0.000 0.424 309 F N 1.559 121.412 119.950 -0.161 0.000 2.075 309 F HA -0.071 4.456 4.527 -0.000 0.000 0.297 309 F C -1.013 174.798 175.800 0.020 0.000 1.113 309 F CA 0.740 58.601 58.000 -0.232 0.000 1.218 309 F CB -1.180 37.350 39.000 -0.783 0.000 0.984 309 F HN 0.009 nan 8.300 nan 0.000 0.472 310 P HA -0.199 nan 4.420 nan 0.000 0.216 310 P C 1.490 178.874 177.300 0.139 0.000 1.150 310 P CA 1.932 65.096 63.100 0.106 0.000 0.837 310 P CB -0.173 31.623 31.700 0.161 0.000 0.786 311 Q N -0.786 119.063 119.800 0.081 0.000 2.050 311 Q HA -0.129 4.211 4.340 -0.000 0.000 0.202 311 Q C 2.272 178.266 176.000 -0.010 0.000 0.980 311 Q CA 1.697 57.532 55.803 0.054 0.000 0.840 311 Q CB -0.716 28.053 28.738 0.051 0.000 0.898 311 Q HN 0.164 nan 8.270 nan 0.000 0.424 312 A N 0.607 123.402 122.820 -0.041 0.000 1.902 312 A HA -0.183 4.137 4.320 -0.000 0.000 0.217 312 A C 1.999 179.504 177.584 -0.131 0.000 1.181 312 A CA 1.356 53.348 52.037 -0.076 0.000 0.623 312 A CB -0.330 18.638 19.000 -0.053 0.000 0.818 312 A HN 0.253 nan 8.150 nan 0.000 0.443 313 M N -0.847 118.630 119.600 -0.205 0.000 2.319 313 M HA -0.086 4.394 4.480 -0.000 0.000 0.265 313 M C 2.193 178.357 176.300 -0.227 0.000 1.068 313 M CA 1.365 56.576 55.300 -0.148 0.000 1.118 313 M CB -1.283 31.208 32.600 -0.181 0.000 1.395 313 M HN 0.684 nan 8.290 nan 0.000 0.435 314 Q N 0.462 120.098 119.800 -0.272 0.000 2.135 314 Q HA -0.169 4.171 4.340 -0.000 0.000 0.204 314 Q C 2.119 177.911 176.000 -0.345 0.000 0.981 314 Q CA 1.491 57.006 55.803 -0.480 0.000 0.856 314 Q CB 0.111 28.740 28.738 -0.181 0.000 0.902 314 Q HN 0.438 nan 8.270 nan 0.000 0.425 315 R N -0.663 119.724 120.500 -0.190 0.000 2.081 315 R HA -0.127 4.213 4.340 -0.000 0.000 0.235 315 R C 2.493 178.726 176.300 -0.113 0.000 1.131 315 R CA 1.436 57.460 56.100 -0.126 0.000 0.960 315 R CB -0.419 29.840 30.300 -0.067 0.000 0.856 315 R HN 0.382 nan 8.270 nan 0.000 0.436 316 C N 0.148 119.380 119.300 -0.114 0.000 2.429 316 C HA -0.084 4.376 4.460 -0.000 0.000 0.277 316 C C 2.745 177.604 174.990 -0.218 0.000 1.262 316 C CA 0.509 59.491 59.018 -0.060 0.000 1.733 316 C CB -0.925 26.846 27.740 0.052 0.000 2.010 316 C HN 0.494 nan 8.230 nan 0.000 0.483 317 R N 1.111 121.240 120.500 -0.619 0.000 2.083 317 R HA -0.165 4.175 4.340 -0.000 0.000 0.237 317 R C 1.658 177.645 176.300 -0.522 0.000 1.137 317 R CA 2.275 57.706 56.100 -1.116 0.000 0.951 317 R CB -0.535 28.725 30.300 -1.734 0.000 0.851 317 R HN 0.467 nan 8.270 nan 0.000 0.434 318 D N -0.744 119.443 120.400 -0.355 0.000 2.117 318 D HA -0.184 4.456 4.640 -0.000 0.000 0.197 318 D C 1.765 178.019 176.300 -0.077 0.000 0.987 318 D CA 1.422 55.307 54.000 -0.192 0.000 0.829 318 D CB -0.547 40.164 40.800 -0.148 0.000 0.961 318 D HN 0.541 nan 8.370 nan 0.000 0.460 319 H N -0.190 118.780 119.070 -0.166 0.000 2.290 319 H HA -0.096 4.460 4.556 -0.000 0.000 0.298 319 H C 2.275 177.537 175.328 -0.110 0.000 1.087 319 H CA 1.349 57.330 56.048 -0.111 0.000 1.291 319 H CB -0.022 29.690 29.762 -0.084 0.000 1.369 319 H HN 0.020 nan 8.280 nan 0.000 0.492 320 M N 0.305 119.870 119.600 -0.058 0.000 2.117 320 M HA -0.157 4.323 4.480 -0.000 0.000 0.262 320 M C 2.159 178.388 176.300 -0.119 0.000 1.065 320 M CA 1.557 56.775 55.300 -0.137 0.000 1.114 320 M CB -0.027 32.496 32.600 -0.128 0.000 1.361 320 M HN 0.373 nan 8.290 nan 0.000 0.408 321 I N -0.164 120.334 120.570 -0.120 0.000 2.163 321 I HA -0.362 3.808 4.170 -0.000 0.000 0.243 321 I C 2.471 178.551 176.117 -0.062 0.000 1.085 321 I CA 1.533 62.774 61.300 -0.097 0.000 1.347 321 I CB -0.404 37.531 38.000 -0.107 0.000 1.044 321 I HN 0.314 nan 8.210 nan 0.000 0.408 322 R N 0.016 120.494 120.500 -0.037 0.000 2.066 322 R HA -0.108 4.232 4.340 -0.000 0.000 0.232 322 R C 2.514 178.805 176.300 -0.014 0.000 1.131 322 R CA 1.691 57.778 56.100 -0.022 0.000 0.955 322 R CB -0.446 29.843 30.300 -0.019 0.000 0.851 322 R HN 0.270 nan 8.270 nan 0.000 0.432 323 S N 1.276 116.985 115.700 0.015 0.000 2.356 323 S HA -0.092 4.378 4.470 -0.000 0.000 0.223 323 S C 2.019 176.582 174.600 -0.063 0.000 1.032 323 S CA 1.173 59.377 58.200 0.006 0.000 1.005 323 S CB -0.193 63.032 63.200 0.041 0.000 0.867 323 S HN 0.194 nan 8.310 nan 0.000 0.449 324 L N 1.167 122.319 121.223 -0.118 0.000 2.072 324 L HA -0.080 4.260 4.340 -0.000 0.000 0.205 324 L C 2.751 179.564 176.870 -0.095 0.000 1.079 324 L CA 1.103 55.846 54.840 -0.162 0.000 0.752 324 L CB -0.627 41.260 42.059 -0.288 0.000 0.906 324 L HN 0.337 nan 8.230 nan 0.000 0.436 325 Q N 0.072 119.834 119.800 -0.063 0.000 2.217 325 Q HA -0.246 4.094 4.340 -0.000 0.000 0.209 325 Q C 2.081 178.057 176.000 -0.040 0.000 0.988 325 Q CA 1.881 57.665 55.803 -0.032 0.000 0.878 325 Q CB 0.005 28.729 28.738 -0.025 0.000 0.909 325 Q HN 0.388 nan 8.270 nan 0.000 0.424 326 S N -1.053 114.615 115.700 -0.055 0.000 2.561 326 S HA 0.009 4.478 4.470 -0.000 0.000 0.225 326 S C 0.895 175.442 174.600 -0.088 0.000 0.977 326 S CA 0.509 58.675 58.200 -0.056 0.000 0.926 326 S CB 0.523 63.698 63.200 -0.041 0.000 0.769 326 S HN 0.208 nan 8.310 nan 0.000 0.533 327 V N 0.003 119.837 119.914 -0.133 0.000 3.159 327 V HA 0.426 4.545 4.120 -0.000 0.000 0.333 327 V C 1.285 177.307 176.094 -0.120 0.000 1.424 327 V CA 0.360 62.521 62.300 -0.231 0.000 1.125 327 V CB -0.045 31.453 31.823 -0.541 0.000 1.075 327 V HN 0.462 nan 8.190 nan 0.000 0.482 328 G N 0.662 109.439 108.800 -0.039 0.000 2.213 328 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.226 328 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.226 328 G C 0.152 175.154 174.900 0.170 0.000 0.992 328 G CA -0.136 44.967 45.100 0.005 0.000 0.632 328 G HN 0.410 nan 8.290 nan 0.000 0.511 329 L N 0.680 122.029 121.223 0.209 0.000 2.426 329 L HA 0.423 4.763 4.340 -0.000 0.000 0.271 329 L C 0.633 177.576 176.870 0.122 0.000 1.169 329 L CA 0.076 55.041 54.840 0.209 0.000 0.836 329 L CB 0.805 42.950 42.059 0.143 0.000 1.112 329 L HN 0.042 nan 8.230 nan 0.000 0.465 330 K N 4.236 124.723 120.400 0.145 0.000 2.357 330 K HA 0.316 4.636 4.320 -0.000 0.000 0.251 330 K C -2.403 174.289 176.600 0.154 0.000 1.069 330 K CA -1.655 54.707 56.287 0.125 0.000 0.994 330 K CB 0.881 33.457 32.500 0.127 0.000 1.411 330 K HN 0.203 nan 8.250 nan 0.000 0.450 331 P HA -0.004 nan 4.420 nan 0.000 0.268 331 P C -0.861 176.514 177.300 0.126 0.000 1.205 331 P CA -0.255 62.909 63.100 0.107 0.000 0.771 331 P CB 0.633 32.354 31.700 0.034 0.000 0.858 332 L N 4.254 125.557 121.223 0.134 0.000 2.276 332 L HA 0.355 4.695 4.340 -0.000 0.000 0.286 332 L C 0.021 176.923 176.870 0.053 0.000 1.024 332 L CA -0.413 54.497 54.840 0.117 0.000 0.826 332 L CB 0.339 42.456 42.059 0.097 0.000 1.211 332 L HN 0.283 nan 8.230 nan 0.000 0.422 333 I N 7.383 127.979 120.570 0.044 0.000 2.505 333 I HA 0.129 4.299 4.170 -0.000 0.000 0.287 333 I C -1.853 174.270 176.117 0.009 0.000 1.104 333 I CA -1.446 59.859 61.300 0.009 0.000 1.387 333 I CB 0.398 38.403 38.000 0.008 0.000 1.404 333 I HN 0.366 nan 8.210 nan 0.000 0.528 334 P HA 0.175 nan 4.420 nan 0.000 0.282 334 P C -0.689 176.685 177.300 0.123 0.000 1.249 334 P CA -0.454 62.685 63.100 0.065 0.000 0.806 334 P CB 1.390 33.196 31.700 0.177 0.000 0.984 335 Q N 0.488 120.327 119.800 0.065 0.000 2.356 335 Q HA 0.352 4.692 4.340 -0.000 0.000 0.205 335 Q C 0.943 177.020 176.000 0.128 0.000 0.901 335 Q CA 0.507 56.343 55.803 0.054 0.000 0.938 335 Q CB 0.297 28.821 28.738 -0.357 0.000 1.081 335 Q HN 0.731 nan 8.270 nan 0.000 0.517 336 G N -1.360 107.526 108.800 0.144 0.000 2.600 336 G HA2 0.541 4.501 3.960 -0.000 0.000 0.293 336 G HA3 0.541 4.501 3.960 -0.000 0.000 0.293 336 G C -1.068 173.896 174.900 0.106 0.000 1.408 336 G CA -0.127 44.952 45.100 -0.036 0.000 0.782 336 G HN 0.476 nan 8.290 nan 0.000 0.482 337 S N -2.072 113.595 115.700 -0.055 0.000 3.922 337 S HA -0.238 4.232 4.470 -0.000 0.000 0.641 337 S C 0.284 174.750 174.600 -0.224 0.000 1.746 337 S CA 0.613 58.591 58.200 -0.370 0.000 1.907 337 S CB -1.096 61.769 63.200 -0.558 0.000 0.326 337 S HN 1.589 nan 8.310 nan 0.000 1.786 338 Y N 0.778 120.423 120.300 -1.092 0.000 2.511 338 Y HA 0.432 4.982 4.550 -0.000 0.000 0.279 338 Y C 0.840 175.667 175.900 -1.788 0.000 1.157 338 Y CA -0.574 56.643 58.100 -1.471 0.000 1.300 338 Y CB -0.550 36.821 38.460 -1.814 0.000 1.052 338 Y HN 0.471 nan 8.280 nan 0.000 0.529 339 F N 0.117 119.857 119.950 -0.351 0.000 2.561 339 F HA 0.582 5.109 4.527 -0.000 0.000 0.321 339 F C -0.424 175.512 175.800 0.227 0.000 1.065 339 F CA -1.849 56.081 58.000 -0.118 0.000 0.934 339 F CB 1.491 40.405 39.000 -0.143 0.000 1.215 339 F HN -0.345 nan 8.300 nan 0.000 0.471 340 L N 1.554 123.068 121.223 0.484 0.000 2.371 340 L HA 0.858 5.198 4.340 -0.000 0.000 0.262 340 L C -0.787 176.249 176.870 0.277 0.000 1.006 340 L CA -1.156 53.882 54.840 0.330 0.000 0.818 340 L CB 1.863 44.095 42.059 0.289 0.000 1.354 340 L HN 0.634 nan 8.230 nan 0.000 0.415 341 I N -0.727 119.935 120.570 0.153 0.000 2.525 341 I HA 0.879 5.049 4.170 -0.000 0.000 0.301 341 I C -0.279 176.002 176.117 0.272 0.000 0.992 341 I CA -0.393 61.015 61.300 0.181 0.000 1.162 341 I CB 2.146 40.146 38.000 -0.001 0.000 1.332 341 I HN 0.844 nan 8.210 nan 0.000 0.458 342 T N 0.177 114.956 114.554 0.375 0.000 2.829 342 T HA 0.300 4.650 4.350 -0.000 0.000 0.280 342 T C -0.391 174.529 174.700 0.366 0.000 0.999 342 T CA -0.715 61.595 62.100 0.349 0.000 0.983 342 T CB 1.595 70.666 68.868 0.338 0.000 0.968 342 T HN 0.658 nan 8.240 nan 0.000 0.446 343 D N 2.158 122.766 120.400 0.347 0.000 2.417 343 D HA 0.076 4.716 4.640 -0.000 0.000 0.250 343 D C 1.002 177.362 176.300 0.099 0.000 1.166 343 D CA -0.517 53.591 54.000 0.181 0.000 0.881 343 D CB 0.538 41.471 40.800 0.221 0.000 1.164 343 D HN 0.740 nan 8.370 nan 0.000 0.467 344 I N 0.845 121.409 120.570 -0.010 0.000 3.877 344 I HA 0.083 4.253 4.170 -0.000 0.000 0.332 344 I C 1.467 177.588 176.117 0.006 0.000 1.525 344 I CA -0.449 60.833 61.300 -0.031 0.000 1.146 344 I CB 0.146 37.884 38.000 -0.436 0.000 1.137 344 I HN 0.140 nan 8.210 nan 0.000 0.424 345 S N 0.666 116.337 115.700 -0.048 0.000 2.370 345 S HA -0.228 4.242 4.470 -0.000 0.000 0.226 345 S C 1.430 175.943 174.600 -0.145 0.000 1.033 345 S CA 1.684 59.774 58.200 -0.183 0.000 1.011 345 S CB -0.552 62.480 63.200 -0.281 0.000 0.852 345 S HN 0.517 nan 8.310 nan 0.000 0.457 346 D N 1.168 121.519 120.400 -0.081 0.000 2.123 346 D HA -0.047 4.593 4.640 -0.000 0.000 0.196 346 D C 1.564 177.764 176.300 -0.168 0.000 0.992 346 D CA 1.069 54.985 54.000 -0.140 0.000 0.833 346 D CB -0.546 40.153 40.800 -0.168 0.000 0.954 346 D HN 0.493 nan 8.370 nan 0.000 0.455 347 F N 1.108 121.021 119.950 -0.062 0.000 2.171 347 F HA -0.070 4.457 4.527 -0.000 0.000 0.300 347 F C 2.414 178.179 175.800 -0.058 0.000 1.090 347 F CA 0.864 58.873 58.000 0.015 0.000 1.293 347 F CB -0.105 38.948 39.000 0.089 0.000 1.013 347 F HN -0.140 nan 8.300 nan 0.000 0.486 348 K N 0.158 120.492 120.400 -0.111 0.000 2.148 348 K HA -0.136 4.184 4.320 -0.000 0.000 0.204 348 K C 2.301 178.685 176.600 -0.360 0.000 1.050 348 K CA 0.869 56.789 56.287 -0.612 0.000 0.942 348 K CB 0.023 32.020 32.500 -0.838 0.000 0.724 348 K HN 0.172 nan 8.250 nan 0.000 0.446 349 R N 0.595 120.957 120.500 -0.230 0.000 2.061 349 R HA -0.062 4.278 4.340 -0.000 0.000 0.230 349 R C 2.102 178.329 176.300 -0.123 0.000 1.140 349 R CA 1.628 57.623 56.100 -0.175 0.000 0.940 349 R CB 0.042 30.246 30.300 -0.160 0.000 0.839 349 R HN 0.089 nan 8.270 nan 0.000 0.429 350 K N -0.536 119.801 120.400 -0.105 0.000 2.288 350 K HA -0.039 4.280 4.320 -0.000 0.000 0.201 350 K C 1.138 177.722 176.600 -0.026 0.000 1.048 350 K CA 0.774 57.019 56.287 -0.070 0.000 0.956 350 K CB 0.211 32.655 32.500 -0.095 0.000 0.746 350 K HN 0.149 nan 8.250 nan 0.000 0.461 351 M N 1.060 120.660 119.600 -0.001 0.000 3.402 351 M HA 0.127 4.606 4.480 -0.000 0.000 0.372 351 M C -2.249 174.109 176.300 0.096 0.000 1.610 351 M CA -1.376 53.948 55.300 0.040 0.000 0.650 351 M CB 1.181 33.808 32.600 0.045 0.000 1.421 351 M HN -0.166 nan 8.290 nan 0.000 0.493 352 P HA -0.042 nan 4.420 nan 0.000 0.221 352 P C -0.245 177.134 177.300 0.132 0.000 1.150 352 P CA 1.130 64.223 63.100 -0.012 0.000 0.800 352 P CB 0.098 31.748 31.700 -0.083 0.000 0.787 353 D N 0.393 120.848 120.400 0.091 0.000 3.072 353 D HA 0.180 4.819 4.640 -0.000 0.000 0.250 353 D C 0.472 176.814 176.300 0.072 0.000 1.304 353 D CA -0.136 53.909 54.000 0.074 0.000 0.861 353 D CB -0.152 40.670 40.800 0.037 0.000 1.062 353 D HN 0.230 nan 8.370 nan 0.000 0.481 354 L N 2.200 123.487 121.223 0.106 0.000 2.426 354 L HA 0.150 4.490 4.340 -0.000 0.000 0.271 354 L C -1.618 175.271 176.870 0.031 0.000 1.169 354 L CA -1.352 53.502 54.840 0.024 0.000 0.836 354 L CB 0.204 42.217 42.059 -0.076 0.000 1.112 354 L HN -0.117 nan 8.230 nan 0.000 0.465 355 P HA 0.246 nan 4.420 nan 0.000 0.267 355 P C -0.286 177.025 177.300 0.018 0.000 1.205 355 P CA 0.033 63.149 63.100 0.027 0.000 0.765 355 P CB 1.151 32.871 31.700 0.032 0.000 0.828 356 G N 0.676 109.486 108.800 0.017 0.000 2.441 356 G HA2 0.522 4.482 3.960 -0.000 0.000 0.294 356 G HA3 0.522 4.482 3.960 -0.000 0.000 0.294 356 G C -1.414 173.490 174.900 0.008 0.000 1.393 356 G CA -0.255 44.851 45.100 0.010 0.000 0.796 356 G HN 0.553 nan 8.290 nan 0.000 0.494 357 A N -0.816 122.004 122.820 0.000 0.000 2.346 357 A HA 0.630 4.950 4.320 -0.000 0.000 0.252 357 A C 1.015 178.602 177.584 0.005 0.000 1.089 357 A CA 0.350 52.384 52.037 -0.005 0.000 0.797 357 A CB 0.119 19.108 19.000 -0.020 0.000 1.047 357 A HN 2.092 nan 8.150 nan 0.000 0.494 358 V N -0.711 119.203 119.914 -0.000 0.000 2.655 358 V HA 0.339 4.459 4.120 -0.000 0.000 0.300 358 V C 0.199 176.296 176.094 0.005 0.000 1.044 358 V CA 0.318 62.621 62.300 0.005 0.000 1.095 358 V CB 0.215 32.038 31.823 0.000 0.000 0.952 358 V HN 0.929 nan 8.190 nan 0.000 0.485 359 D N -0.012 120.398 120.400 0.016 0.000 3.077 359 D HA -0.206 4.434 4.640 -0.000 0.000 0.217 359 D C 0.400 176.716 176.300 0.027 0.000 1.162 359 D CA 1.762 55.775 54.000 0.021 0.000 0.943 359 D CB -0.956 39.850 40.800 0.010 0.000 1.122 359 D HN 1.061 nan 8.370 nan 0.000 0.413 360 E N 0.800 121.018 120.200 0.031 0.000 2.180 360 E HA 0.306 4.656 4.350 -0.000 0.000 0.283 360 E C -2.375 174.266 176.600 0.069 0.000 1.061 360 E CA -1.812 54.612 56.400 0.041 0.000 0.861 360 E CB 0.823 30.542 29.700 0.031 0.000 1.056 360 E HN -0.068 nan 8.360 nan 0.000 0.407 361 P HA -0.098 nan 4.420 nan 0.000 0.267 361 P C -0.264 177.118 177.300 0.138 0.000 1.200 361 P CA 0.161 63.326 63.100 0.108 0.000 0.772 361 P CB 0.340 32.095 31.700 0.092 0.000 0.855 362 Y N 3.285 123.616 120.300 0.051 0.000 2.114 362 Y HA -0.330 4.220 4.550 -0.000 0.000 0.282 362 Y C 1.974 177.943 175.900 0.114 0.000 1.165 362 Y CA 2.588 60.727 58.100 0.066 0.000 1.148 362 Y CB -0.507 37.971 38.460 0.030 0.000 0.972 362 Y HN 0.443 nan 8.280 nan 0.000 0.504 363 D N -0.466 120.014 120.400 0.134 0.000 2.149 363 D HA -0.216 4.424 4.640 -0.000 0.000 0.198 363 D C 2.038 178.376 176.300 0.063 0.000 0.990 363 D CA 1.647 55.696 54.000 0.082 0.000 0.839 363 D CB -0.769 40.080 40.800 0.083 0.000 0.948 363 D HN 0.360 nan 8.370 nan 0.000 0.460 364 R N 0.018 120.564 120.500 0.077 0.000 2.081 364 R HA 0.056 4.396 4.340 -0.000 0.000 0.235 364 R C 2.714 179.136 176.300 0.203 0.000 1.131 364 R CA 1.299 57.519 56.100 0.201 0.000 0.960 364 R CB -0.066 30.389 30.300 0.258 0.000 0.856 364 R HN 0.227 nan 8.270 nan 0.000 0.436 365 R N -0.655 119.871 120.500 0.045 0.000 2.075 365 R HA -0.118 4.222 4.340 -0.000 0.000 0.232 365 R C 2.123 178.395 176.300 -0.047 0.000 1.126 365 R CA 1.360 57.443 56.100 -0.028 0.000 0.963 365 R CB -0.415 29.815 30.300 -0.117 0.000 0.858 365 R HN 0.190 nan 8.270 nan 0.000 0.435 366 F N 1.374 121.127 119.950 -0.328 0.000 2.102 366 F HA -0.215 4.312 4.527 -0.000 0.000 0.298 366 F C 2.118 177.952 175.800 0.057 0.000 1.105 366 F CA 1.307 59.180 58.000 -0.211 0.000 1.239 366 F CB -0.208 38.602 39.000 -0.316 0.000 0.991 366 F HN -0.283 nan 8.300 nan 0.000 0.474 367 V N 0.823 120.823 119.914 0.144 0.000 2.343 367 V HA -0.327 3.793 4.120 -0.000 0.000 0.247 367 V C 2.397 178.506 176.094 0.024 0.000 1.051 367 V CA 2.209 64.535 62.300 0.044 0.000 1.036 367 V CB -0.654 31.130 31.823 -0.065 0.000 0.654 367 V HN 0.298 nan 8.190 nan 0.000 0.451 368 K N -1.387 119.095 120.400 0.138 0.000 2.057 368 K HA -0.266 4.054 4.320 -0.000 0.000 0.207 368 K C 1.954 178.513 176.600 -0.069 0.000 1.049 368 K CA 2.124 58.449 56.287 0.064 0.000 0.931 368 K CB -0.349 32.189 32.500 0.063 0.000 0.714 368 K HN 0.648 nan 8.250 nan 0.000 0.440 369 W N 1.715 122.854 121.300 -0.268 0.000 2.335 369 W HA -0.212 4.448 4.660 -0.000 0.000 0.311 369 W C 2.172 178.413 176.519 -0.464 0.000 1.213 369 W CA 1.614 58.751 57.345 -0.347 0.000 1.274 369 W CB -0.260 28.978 29.460 -0.371 0.000 1.148 369 W HN -0.030 nan 8.180 nan 0.000 0.498 370 M N -0.000 119.247 119.600 -0.587 0.000 2.159 370 M HA -0.204 4.276 4.480 -0.000 0.000 0.263 370 M C 1.951 177.876 176.300 -0.624 0.000 1.063 370 M CA 2.067 56.868 55.300 -0.830 0.000 1.110 370 M CB -0.423 31.851 32.600 -0.542 0.000 1.374 370 M HN 0.140 nan 8.290 nan 0.000 0.411 371 I N 0.105 120.426 120.570 -0.415 0.000 2.226 371 I HA -0.319 3.850 4.170 -0.000 0.000 0.245 371 I C 2.288 178.069 176.117 -0.559 0.000 1.100 371 I CA 1.413 62.497 61.300 -0.360 0.000 1.374 371 I CB -0.306 37.564 38.000 -0.218 0.000 1.057 371 I HN 0.272 nan 8.210 nan 0.000 0.413 372 K N 0.210 120.217 120.400 -0.656 0.000 2.062 372 K HA -0.049 4.271 4.320 -0.000 0.000 0.205 372 K C 1.636 177.914 176.600 -0.537 0.000 1.051 372 K CA 1.084 56.922 56.287 -0.749 0.000 0.941 372 K CB -0.051 32.157 32.500 -0.487 0.000 0.719 372 K HN 0.355 nan 8.250 nan 0.000 0.440 373 N N -0.041 118.242 118.700 -0.695 0.000 2.414 373 N HA 0.006 4.746 4.740 -0.000 0.000 0.177 373 N C 1.045 176.131 175.510 -0.706 0.000 1.062 373 N CA 0.614 53.236 53.050 -0.712 0.000 0.890 373 N CB 0.540 38.405 38.487 -1.036 0.000 1.070 373 N HN 0.046 nan 8.380 nan 0.000 0.454 374 K N -0.185 119.730 120.400 -0.807 0.000 2.402 374 K HA 0.222 4.542 4.320 -0.000 0.000 0.203 374 K C 0.707 177.087 176.600 -0.367 0.000 1.077 374 K CA 0.186 56.041 56.287 -0.720 0.000 1.051 374 K CB 1.217 32.954 32.500 -1.272 0.000 0.907 374 K HN 0.131 nan 8.250 nan 0.000 0.554 375 G N 2.255 110.869 108.800 -0.309 0.000 2.179 375 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.257 375 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.257 375 G C -0.154 174.703 174.900 -0.071 0.000 1.010 375 G CA 0.286 45.296 45.100 -0.150 0.000 0.736 375 G HN 0.194 nan 8.290 nan 0.000 0.513 376 L N -0.158 121.013 121.223 -0.087 0.000 2.362 376 L HA 0.661 5.001 4.340 -0.000 0.000 0.275 376 L C 0.185 177.061 176.870 0.009 0.000 0.998 376 L CA -1.360 53.506 54.840 0.043 0.000 0.820 376 L CB 2.313 44.492 42.059 0.201 0.000 1.270 376 L HN -0.074 nan 8.230 nan 0.000 0.415 377 V N 2.238 122.175 119.914 0.038 0.000 2.394 377 V HA 0.817 4.937 4.120 -0.000 0.000 0.282 377 V C 0.279 176.326 176.094 -0.078 0.000 1.031 377 V CA -0.273 62.021 62.300 -0.010 0.000 0.881 377 V CB 1.173 33.009 31.823 0.021 0.000 0.982 377 V HN 0.916 nan 8.190 nan 0.000 0.451 378 A N 5.462 128.148 122.820 -0.223 0.000 2.483 378 A HA 0.933 5.253 4.320 -0.000 0.000 0.286 378 A C -1.156 176.234 177.584 -0.323 0.000 1.207 378 A CA -0.711 51.059 52.037 -0.445 0.000 0.764 378 A CB 1.522 19.909 19.000 -1.022 0.000 1.341 378 A HN 0.551 nan 8.150 nan 0.000 0.428 379 I N 1.623 122.012 120.570 -0.303 0.000 2.378 379 I HA 0.358 4.528 4.170 -0.000 0.000 0.291 379 I C -2.414 173.529 176.117 -0.289 0.000 0.992 379 I CA -2.423 58.689 61.300 -0.313 0.000 1.154 379 I CB 1.259 39.194 38.000 -0.108 0.000 1.315 379 I HN 0.333 nan 8.210 nan 0.000 0.448 380 P HA 0.060 nan 4.420 nan 0.000 0.267 380 P C 0.869 178.097 177.300 -0.120 0.000 1.209 380 P CA 0.042 62.998 63.100 -0.240 0.000 0.763 380 P CB 1.412 32.927 31.700 -0.308 0.000 0.816 381 V N 2.982 122.943 119.914 0.079 0.000 2.970 381 V HA -0.172 3.948 4.120 -0.000 0.000 0.260 381 V C 2.512 178.782 176.094 0.293 0.000 1.100 381 V CA 2.319 64.794 62.300 0.291 0.000 1.122 381 V CB -1.210 30.798 31.823 0.309 0.000 0.721 381 V HN 0.658 nan 8.190 nan 0.000 0.483 382 S N 1.497 117.279 115.700 0.136 0.000 2.442 382 S HA -0.193 4.277 4.470 -0.000 0.000 0.236 382 S C 1.919 176.486 174.600 -0.054 0.000 1.007 382 S CA 1.588 59.863 58.200 0.124 0.000 0.965 382 S CB -0.888 62.352 63.200 0.066 0.000 0.773 382 S HN 0.785 nan 8.310 nan 0.000 0.504 383 I N -2.479 117.886 120.570 -0.342 0.000 2.756 383 I HA 0.134 4.303 4.170 -0.000 0.000 0.262 383 I C 0.933 176.521 176.117 -0.881 0.000 1.225 383 I CA 0.954 61.862 61.300 -0.652 0.000 1.472 383 I CB -0.586 36.830 38.000 -0.973 0.000 1.094 383 I HN 0.112 nan 8.210 nan 0.000 0.454 384 F N 0.183 119.855 119.950 -0.464 0.000 2.645 384 F HA 0.380 4.907 4.527 -0.000 0.000 0.300 384 F C -0.134 174.895 175.800 -1.284 0.000 1.115 384 F CA -0.417 57.041 58.000 -0.904 0.000 1.355 384 F CB -0.559 38.034 39.000 -0.680 0.000 1.026 384 F HN -0.037 nan 8.300 nan 0.000 0.536 385 Y N -0.753 119.223 120.300 -0.541 0.000 2.536 385 Y HA 0.395 4.945 4.550 -0.000 0.000 0.347 385 Y C 0.595 176.412 175.900 -0.138 0.000 1.000 385 Y CA -1.852 56.100 58.100 -0.247 0.000 1.051 385 Y CB 1.521 39.946 38.460 -0.059 0.000 1.259 385 Y HN -0.106 nan 8.280 nan 0.000 0.468 386 S N 0.054 115.731 115.700 -0.038 0.000 2.568 386 S HA 0.059 4.528 4.470 -0.000 0.000 0.282 386 S C 0.986 175.497 174.600 -0.148 0.000 1.338 386 S CA -0.616 57.328 58.200 -0.427 0.000 1.045 386 S CB 0.883 63.275 63.200 -1.347 0.000 0.873 386 S HN 0.555 nan 8.310 nan 0.000 0.516 387 V N 3.188 123.040 119.914 -0.105 0.000 2.250 387 V HA -0.139 3.981 4.120 -0.000 0.000 0.250 387 V C -0.423 175.675 176.094 0.006 0.000 1.060 387 V CA 2.154 64.442 62.300 -0.020 0.000 1.030 387 V CB -2.053 29.765 31.823 -0.009 0.000 0.643 387 V HN 0.757 nan 8.190 nan 0.000 0.445 388 P HA -0.170 nan 4.420 nan 0.000 0.218 388 P C 1.250 178.678 177.300 0.214 0.000 1.146 388 P CA 1.678 64.802 63.100 0.040 0.000 0.813 388 P CB -0.189 31.487 31.700 -0.040 0.000 0.778 389 H N -2.040 117.097 119.070 0.111 0.000 2.575 389 H HA 0.163 4.719 4.556 -0.000 0.000 0.267 389 H C 1.829 177.291 175.328 0.223 0.000 0.966 389 H CA -0.109 56.075 56.048 0.227 0.000 1.165 389 H CB 0.206 30.152 29.762 0.308 0.000 1.433 389 H HN 0.233 nan 8.280 nan 0.000 0.544 390 Q N 0.969 120.915 119.800 0.244 0.000 2.167 390 Q HA -0.122 4.218 4.340 -0.000 0.000 0.202 390 Q C 1.762 177.839 176.000 0.128 0.000 0.970 390 Q CA 0.976 56.870 55.803 0.151 0.000 0.855 390 Q CB 0.172 28.974 28.738 0.106 0.000 0.911 390 Q HN 0.401 nan 8.270 nan 0.000 0.438 391 K N -0.195 120.288 120.400 0.138 0.000 2.009 391 K HA -0.241 4.078 4.320 -0.000 0.000 0.210 391 K C 2.020 178.672 176.600 0.087 0.000 1.049 391 K CA 1.701 58.051 56.287 0.105 0.000 0.929 391 K CB -0.223 32.338 32.500 0.102 0.000 0.714 391 K HN 0.236 nan 8.250 nan 0.000 0.440 392 H N -0.624 118.445 119.070 -0.002 0.000 2.357 392 H HA -0.029 4.527 4.556 -0.000 0.000 0.301 392 H C 0.079 175.251 175.328 -0.259 0.000 1.082 392 H CA 1.315 57.268 56.048 -0.158 0.000 1.342 392 H CB 0.121 29.734 29.762 -0.248 0.000 1.389 392 H HN 0.005 nan 8.280 nan 0.000 0.511 393 F N 1.478 121.337 119.950 -0.152 0.000 2.640 393 F HA 0.164 4.691 4.527 -0.000 0.000 0.331 393 F C 0.357 176.033 175.800 -0.206 0.000 1.200 393 F CA -0.321 57.483 58.000 -0.327 0.000 1.278 393 F CB 0.424 38.841 39.000 -0.971 0.000 1.571 393 F HN 0.333 nan 8.300 nan 0.000 0.576 394 D N -1.001 119.409 120.400 0.017 0.000 2.440 394 D HA -0.045 4.595 4.640 -0.000 0.000 0.216 394 D C 0.816 177.173 176.300 0.096 0.000 1.150 394 D CA 0.159 54.207 54.000 0.080 0.000 0.832 394 D CB -0.529 40.335 40.800 0.106 0.000 0.992 394 D HN 0.512 nan 8.370 nan 0.000 0.502 395 H N -1.263 117.725 119.070 -0.135 0.000 2.492 395 H HA 0.278 4.833 4.556 -0.000 0.000 0.264 395 H C -1.189 173.872 175.328 -0.444 0.000 1.150 395 H CA -0.572 55.310 56.048 -0.278 0.000 0.962 395 H CB -0.856 28.656 29.762 -0.417 0.000 1.766 395 H HN -0.061 nan 8.280 nan 0.000 0.589 396 Y N 1.316 121.569 120.300 -0.078 0.000 2.512 396 Y HA 0.506 5.056 4.550 -0.000 0.000 0.348 396 Y C 0.213 176.124 175.900 0.018 0.000 0.990 396 Y CA -1.339 56.757 58.100 -0.006 0.000 1.033 396 Y CB 2.209 40.684 38.460 0.025 0.000 1.259 396 Y HN 0.231 nan 8.280 nan 0.000 0.461 397 I N -0.430 120.259 120.570 0.199 0.000 2.828 397 I HA 0.722 4.892 4.170 -0.000 0.000 0.302 397 I C -1.095 175.043 176.117 0.035 0.000 1.101 397 I CA -1.247 60.088 61.300 0.058 0.000 1.031 397 I CB 2.551 40.547 38.000 -0.007 0.000 1.231 397 I HN 0.568 nan 8.210 nan 0.000 0.427 398 R N 3.950 124.395 120.500 -0.091 0.000 2.393 398 R HA 0.603 4.943 4.340 -0.000 0.000 0.310 398 R C -2.016 174.195 176.300 -0.149 0.000 0.968 398 R CA -0.447 55.630 56.100 -0.038 0.000 0.867 398 R CB 1.223 31.471 30.300 -0.085 0.000 1.124 398 R HN 0.675 nan 8.270 nan 0.000 0.450 399 F N 2.255 122.308 119.950 0.171 0.000 2.507 399 F HA 0.423 4.950 4.527 -0.000 0.000 0.327 399 F C 0.135 176.088 175.800 0.255 0.000 1.068 399 F CA -0.706 57.409 58.000 0.191 0.000 0.965 399 F CB 1.683 40.789 39.000 0.176 0.000 1.192 399 F HN 0.404 nan 8.300 nan 0.000 0.476 400 C N 4.387 123.908 119.300 0.368 0.000 2.281 400 C HA 0.477 4.937 4.460 -0.000 0.000 0.325 400 C C 0.842 175.837 174.990 0.007 0.000 1.282 400 C CA -0.795 58.285 59.018 0.103 0.000 1.640 400 C CB -1.203 26.584 27.740 0.078 0.000 2.288 400 C HN 0.825 nan 8.230 nan 0.000 0.507 401 F N 3.575 123.520 119.950 -0.009 0.000 2.727 401 F HA 0.376 4.903 4.527 -0.000 0.000 0.302 401 F C 0.522 176.273 175.800 -0.083 0.000 1.097 401 F CA -0.404 57.562 58.000 -0.056 0.000 1.330 401 F CB -0.709 38.237 39.000 -0.090 0.000 1.084 401 F HN 0.182 nan 8.300 nan 0.000 0.578 402 V N 4.083 123.794 119.914 -0.338 0.000 2.242 402 V HA 0.195 4.315 4.120 -0.000 0.000 0.242 402 V C -0.131 175.978 176.094 0.025 0.000 1.240 402 V CA 0.029 62.217 62.300 -0.186 0.000 1.211 402 V CB -1.172 30.262 31.823 -0.649 0.000 1.338 402 V HN 0.177 nan 8.190 nan 0.000 0.499 403 K N 1.495 122.051 120.400 0.260 0.000 2.512 403 K HA 0.382 4.702 4.320 -0.000 0.000 0.263 403 K C -0.558 176.269 176.600 0.379 0.000 0.966 403 K CA -0.854 55.594 56.287 0.268 0.000 0.851 403 K CB 2.202 34.760 32.500 0.096 0.000 1.395 403 K HN 0.408 nan 8.250 nan 0.000 0.440 404 D N 1.387 122.030 120.400 0.405 0.000 2.449 404 D HA -0.063 4.577 4.640 -0.000 0.000 0.236 404 D C 0.826 177.192 176.300 0.109 0.000 1.149 404 D CA 0.649 54.793 54.000 0.240 0.000 0.878 404 D CB 0.963 41.904 40.800 0.234 0.000 1.198 404 D HN 0.469 nan 8.370 nan 0.000 0.446 405 E N 1.832 122.067 120.200 0.059 0.000 2.114 405 E HA -0.271 4.079 4.350 -0.000 0.000 0.199 405 E C 1.842 178.485 176.600 0.070 0.000 1.008 405 E CA 1.558 57.994 56.400 0.061 0.000 0.810 405 E CB -0.031 29.697 29.700 0.046 0.000 0.739 405 E HN 0.595 nan 8.360 nan 0.000 0.456 406 A N 0.229 123.090 122.820 0.069 0.000 1.972 406 A HA -0.176 4.144 4.320 -0.000 0.000 0.219 406 A C 2.300 179.921 177.584 0.061 0.000 1.169 406 A CA 1.868 53.944 52.037 0.065 0.000 0.635 406 A CB -0.670 18.368 19.000 0.064 0.000 0.810 406 A HN 0.228 nan 8.150 nan 0.000 0.446 407 T N 0.588 115.181 114.554 0.065 0.000 2.777 407 T HA -0.062 4.288 4.350 -0.000 0.000 0.266 407 T C 1.769 176.485 174.700 0.026 0.000 1.040 407 T CA 1.435 63.567 62.100 0.052 0.000 1.141 407 T CB -0.358 68.547 68.868 0.062 0.000 0.868 407 T HN 0.400 nan 8.240 nan 0.000 0.444 408 L N 0.701 121.922 121.223 -0.003 0.000 2.141 408 L HA -0.087 4.253 4.340 -0.000 0.000 0.209 408 L C 2.864 179.720 176.870 -0.023 0.000 1.094 408 L CA 1.179 55.955 54.840 -0.107 0.000 0.763 408 L CB -0.676 41.215 42.059 -0.281 0.000 0.908 408 L HN 0.308 nan 8.230 nan 0.000 0.437 409 Q N 0.130 119.967 119.800 0.062 0.000 2.084 409 Q HA -0.192 4.148 4.340 -0.000 0.000 0.202 409 Q C 2.498 178.539 176.000 0.067 0.000 0.978 409 Q CA 1.691 57.549 55.803 0.090 0.000 0.844 409 Q CB -0.268 28.520 28.738 0.083 0.000 0.898 409 Q HN 0.565 nan 8.270 nan 0.000 0.426 410 A N 1.097 123.950 122.820 0.054 0.000 1.933 410 A HA -0.202 4.118 4.320 -0.000 0.000 0.218 410 A C 2.032 179.650 177.584 0.057 0.000 1.175 410 A CA 1.383 53.452 52.037 0.053 0.000 0.628 410 A CB -0.606 18.423 19.000 0.049 0.000 0.814 410 A HN 0.447 nan 8.150 nan 0.000 0.444 411 M N -0.363 119.266 119.600 0.048 0.000 2.080 411 M HA -0.216 4.264 4.480 -0.000 0.000 0.260 411 M C 1.300 177.642 176.300 0.069 0.000 1.068 411 M CA 2.475 57.809 55.300 0.055 0.000 1.109 411 M CB -0.475 32.133 32.600 0.012 0.000 1.342 411 M HN 0.325 nan 8.290 nan 0.000 0.405 412 D N 0.389 120.829 120.400 0.066 0.000 2.123 412 D HA -0.175 4.465 4.640 -0.000 0.000 0.196 412 D C 2.010 178.364 176.300 0.089 0.000 0.992 412 D CA 1.177 55.231 54.000 0.091 0.000 0.833 412 D CB -0.381 40.496 40.800 0.129 0.000 0.954 412 D HN 0.397 nan 8.370 nan 0.000 0.455 413 E N 0.830 121.078 120.200 0.080 0.000 2.058 413 E HA -0.140 4.210 4.350 -0.000 0.000 0.194 413 E C 2.024 178.678 176.600 0.091 0.000 0.997 413 E CA 0.770 57.215 56.400 0.075 0.000 0.801 413 E CB -0.055 29.681 29.700 0.061 0.000 0.746 413 E HN 0.238 nan 8.360 nan 0.000 0.450 414 K N 0.375 120.834 120.400 0.098 0.000 2.063 414 K HA -0.099 4.221 4.320 -0.000 0.000 0.208 414 K C 2.414 179.141 176.600 0.212 0.000 1.048 414 K CA 0.714 57.074 56.287 0.122 0.000 0.928 414 K CB -0.484 32.083 32.500 0.112 0.000 0.713 414 K HN 0.211 nan 8.250 nan 0.000 0.442 415 L N 0.312 121.660 121.223 0.208 0.000 2.109 415 L HA -0.098 4.242 4.340 -0.000 0.000 0.207 415 L C 2.667 179.647 176.870 0.185 0.000 1.086 415 L CA 0.964 55.944 54.840 0.233 0.000 0.760 415 L CB -0.269 41.860 42.059 0.117 0.000 0.910 415 L HN 0.130 nan 8.230 nan 0.000 0.437 416 R N 0.023 120.603 120.500 0.133 0.000 2.081 416 R HA -0.183 4.157 4.340 -0.000 0.000 0.235 416 R C 2.343 178.723 176.300 0.134 0.000 1.131 416 R CA 1.306 57.470 56.100 0.107 0.000 0.960 416 R CB -0.214 30.134 30.300 0.079 0.000 0.856 416 R HN 0.247 nan 8.270 nan 0.000 0.436 417 K N 0.038 120.525 120.400 0.144 0.000 2.032 417 K HA -0.218 4.102 4.320 -0.000 0.000 0.209 417 K C 1.962 178.691 176.600 0.215 0.000 1.048 417 K CA 1.407 57.776 56.287 0.138 0.000 0.927 417 K CB -0.220 32.337 32.500 0.095 0.000 0.712 417 K HN 0.209 nan 8.250 nan 0.000 0.441 418 W N 2.466 123.791 121.300 0.043 0.000 2.335 418 W HA -0.206 4.454 4.660 -0.000 0.000 0.311 418 W C 1.697 178.275 176.519 0.098 0.000 1.213 418 W CA 1.399 58.785 57.345 0.070 0.000 1.274 418 W CB -0.494 29.017 29.460 0.086 0.000 1.148 418 W HN 0.029 nan 8.180 nan 0.000 0.498 419 K N -0.006 120.567 120.400 0.288 0.000 2.074 419 K HA -0.144 4.176 4.320 -0.000 0.000 0.209 419 K C 0.722 177.410 176.600 0.147 0.000 1.048 419 K CA 1.320 57.688 56.287 0.136 0.000 0.926 419 K CB -0.719 31.820 32.500 0.066 0.000 0.713 419 K HN -0.138 nan 8.250 nan 0.000 0.444 420 V N 3.615 123.619 119.914 0.149 0.000 2.459 420 V HA -0.056 4.064 4.120 -0.000 0.000 0.255 420 V C 0.471 176.656 176.094 0.151 0.000 1.015 420 V CA 0.573 62.947 62.300 0.123 0.000 1.163 420 V CB -1.214 30.668 31.823 0.099 0.000 1.109 420 V HN 0.412 nan 8.190 nan 0.000 0.473 421 E N 0.000 120.284 120.200 0.140 0.000 2.725 421 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 421 E CA 0.000 56.495 56.400 0.158 0.000 0.976 421 E CB 0.000 29.778 29.700 0.130 0.000 0.812 421 E HN 0.000 nan 8.360 nan 0.000 0.440