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 1ynf_1_F DATA FIRST_RESID 2 DATA SEQUENCE NAWEVNFDGL VGLTHHYAXX XXXXXXXXXH RFQVSNPRLA AKQGLLKXKA DATA SEQUENCE LADAGFPQAV IPPHERPFIP VLRQLGFSGS DEQVLEKVAR QAPHWLSSVS DATA SEQUENCE SASPXWVANA ATIAPSADTL DGKVHLTVAN LNNKFHRSLE APVTESLLKA DATA SEQUENCE IFNDEEKFSV HSALPQVALL GDEGAANHNR LGGHYGEPGX QLFVYGREEG DATA SEQUENCE NDTRPSRYPA RQTREASEAV ARLNQVNPQQ VIFAQQNPDV IDQGVFHNDV DATA SEQUENCE IAVSNRQVLF CHQQAFARQS QLLANLRARV NGFXAIEVPA TQVSVSDTVS DATA SEQUENCE TYLFNSQLLS RDDGSXXLVL PQECREHAGV WGYLNELLAA DNPISELKVF DATA SEQUENCE DLRESXANGG GPACLRLRVV LTEEERRAVN PAVXXNDTLF NALNDWVDRY DATA SEQUENCE YRDRLTAADL ADPQLLREGR EALDVLSQLL NLGSVYPFQR 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 2 N HA 0.000 nan 4.740 nan 0.000 0.220 2 N C 0.000 175.446 175.510 -0.106 0.000 1.280 2 N CA 0.000 53.033 53.050 -0.029 0.000 0.885 2 N CB 0.000 38.520 38.487 0.055 0.000 1.341 3 A N 0.608 123.449 122.820 0.037 0.000 2.304 3 A HA 0.749 5.071 4.320 0.004 0.000 0.301 3 A C -1.124 176.658 177.584 0.329 0.000 1.132 3 A CA -0.469 51.604 52.037 0.061 0.000 0.819 3 A CB 0.426 19.505 19.000 0.132 0.000 1.094 3 A HN 0.548 nan 8.150 nan 0.000 0.492 4 W N -0.060 121.309 121.300 0.114 0.000 2.864 4 W HA 0.487 5.149 4.660 0.004 0.000 0.343 4 W C 0.033 176.486 176.519 -0.110 0.000 1.109 4 W CA -1.093 56.297 57.345 0.074 0.000 1.192 4 W CB 0.995 30.503 29.460 0.079 0.000 1.426 4 W HN 0.805 nan 8.180 nan 0.000 0.529 5 E N 1.379 121.479 120.200 -0.167 0.000 2.194 5 E HA 0.413 4.766 4.350 0.004 0.000 0.284 5 E C -1.136 175.482 176.600 0.029 0.000 1.035 5 E CA -0.165 56.050 56.400 -0.309 0.000 0.836 5 E CB 1.057 30.278 29.700 -0.798 0.000 1.070 5 E HN 0.173 nan 8.360 nan 0.000 0.401 6 V N 5.304 125.310 119.914 0.153 0.000 2.398 6 V HA 0.235 4.357 4.120 0.004 0.000 0.286 6 V C -0.100 176.141 176.094 0.246 0.000 1.026 6 V CA -1.090 61.334 62.300 0.206 0.000 0.868 6 V CB 1.476 33.474 31.823 0.292 0.000 0.982 6 V HN 0.653 nan 8.190 nan 0.000 0.443 7 N N 3.769 122.539 118.700 0.117 0.000 2.444 7 N HA 0.443 5.185 4.740 0.004 0.000 0.271 7 N C -1.065 174.485 175.510 0.066 0.000 1.069 7 N CA -0.101 53.032 53.050 0.139 0.000 0.965 7 N CB 1.254 39.773 38.487 0.053 0.000 1.092 7 N HN 0.446 nan 8.380 nan 0.000 0.476 8 F N 1.033 121.017 119.950 0.057 0.000 2.402 8 F HA 0.275 4.804 4.527 0.005 0.000 0.355 8 F C 0.491 176.315 175.800 0.039 0.000 1.123 8 F CA -0.826 57.204 58.000 0.051 0.000 1.021 8 F CB 1.071 40.123 39.000 0.088 0.000 1.160 8 F HN 0.233 nan 8.300 nan 0.000 0.451 9 D N 1.198 121.670 120.400 0.119 0.000 2.217 9 D HA 0.493 5.135 4.640 0.004 0.000 0.248 9 D C 0.156 176.501 176.300 0.075 0.000 1.008 9 D CA -0.250 53.798 54.000 0.080 0.000 0.914 9 D CB 1.601 42.411 40.800 0.016 0.000 1.182 9 D HN 0.631 nan 8.370 nan 0.000 0.451 10 G N 0.856 109.688 108.800 0.053 0.000 2.320 10 G HA2 0.401 4.364 3.960 0.004 0.000 0.300 10 G HA3 0.401 4.364 3.960 0.004 0.000 0.300 10 G C -0.605 174.294 174.900 -0.002 0.000 1.126 10 G CA -0.439 44.676 45.100 0.025 0.000 0.896 10 G HN 0.375 nan 8.290 nan 0.000 0.436 11 L N 4.741 125.981 121.223 0.028 0.000 2.385 11 L HA 0.297 4.639 4.340 0.004 0.000 0.281 11 L C 0.492 177.406 176.870 0.072 0.000 1.106 11 L CA -0.225 54.643 54.840 0.047 0.000 0.856 11 L CB 0.800 42.898 42.059 0.066 0.000 1.186 11 L HN 0.280 nan 8.230 nan 0.000 0.453 12 V N 6.051 125.981 119.914 0.027 0.000 2.644 12 V HA 0.123 4.246 4.120 0.004 0.000 0.305 12 V C 1.413 177.650 176.094 0.239 0.000 1.053 12 V CA 0.660 62.973 62.300 0.021 0.000 1.186 12 V CB -0.110 31.676 31.823 -0.061 0.000 0.895 12 V HN 0.996 nan 8.190 nan 0.000 0.490 13 G N 3.720 112.604 108.800 0.140 0.000 2.599 13 G HA2 0.375 4.337 3.960 0.004 0.000 0.264 13 G HA3 0.375 4.337 3.960 0.004 0.000 0.264 13 G C 0.576 175.468 174.900 -0.014 0.000 1.200 13 G CA -0.773 44.410 45.100 0.139 0.000 0.896 13 G HN 0.629 nan 8.290 nan 0.000 0.536 14 L N 0.305 121.296 121.223 -0.387 0.000 2.275 14 L HA 0.046 4.388 4.340 0.004 0.000 0.215 14 L C 2.832 179.523 176.870 -0.299 0.000 1.119 14 L CA 1.931 56.336 54.840 -0.724 0.000 0.790 14 L CB -0.760 40.823 42.059 -0.794 0.000 0.919 14 L HN 0.680 nan 8.230 nan 0.000 0.443 15 T N -4.757 109.716 114.554 -0.135 0.000 3.206 15 T HA 0.060 4.413 4.350 0.004 0.000 0.253 15 T C 0.660 175.431 174.700 0.119 0.000 1.042 15 T CA -0.470 61.602 62.100 -0.047 0.000 0.931 15 T CB -1.030 67.813 68.868 -0.042 0.000 1.029 15 T HN 0.279 nan 8.240 nan 0.000 0.564 16 H N 3.684 122.748 119.070 -0.009 0.000 3.192 16 H HA 0.177 4.736 4.556 0.004 0.000 0.295 16 H C 0.383 175.696 175.328 -0.025 0.000 0.943 16 H CA 0.727 56.764 56.048 -0.018 0.000 1.416 16 H CB -0.133 29.605 29.762 -0.039 0.000 1.434 16 H HN 0.664 nan 8.280 nan 0.000 0.565 17 H N 3.105 121.811 119.070 -0.607 0.000 2.981 17 H HA 0.195 4.753 4.556 0.004 0.000 0.327 17 H C -1.573 173.473 175.328 -0.470 0.000 1.342 17 H CA -1.032 54.614 56.048 -0.670 0.000 1.123 17 H CB 0.258 29.833 29.762 -0.311 0.000 1.851 17 H HN 0.625 nan 8.280 nan 0.000 0.531 18 Y N 0.343 120.593 120.300 -0.083 0.000 2.331 18 Y HA 0.684 5.237 4.550 0.004 0.000 0.338 18 Y C 0.443 176.361 175.900 0.030 0.000 0.976 18 Y CA -0.555 57.534 58.100 -0.018 0.000 1.137 18 Y CB 1.757 40.323 38.460 0.176 0.000 1.172 18 Y HN 0.868 nan 8.280 nan 0.000 0.478 32 R N 0.430 120.732 120.500 -0.329 0.000 2.466 32 R HA 0.285 4.628 4.340 0.004 0.000 0.279 32 R C -0.597 175.601 176.300 -0.169 0.000 0.976 32 R CA -0.255 55.691 56.100 -0.256 0.000 1.081 32 R CB 0.098 30.227 30.300 -0.285 0.000 1.215 32 R HN 0.241 nan 8.270 nan 0.000 0.546 33 F N 0.979 121.085 119.950 0.261 0.000 2.399 33 F HA 0.123 4.653 4.527 0.004 0.000 0.342 33 F C 1.553 177.497 175.800 0.240 0.000 1.106 33 F CA -0.374 57.689 58.000 0.106 0.000 1.196 33 F CB 1.102 39.964 39.000 -0.229 0.000 1.163 33 F HN -0.080 nan 8.300 nan 0.000 0.547 34 Q N 1.275 121.349 119.800 0.456 0.000 2.280 34 Q HA 0.193 4.536 4.340 0.004 0.000 0.244 34 Q C -0.265 175.938 176.000 0.338 0.000 0.847 34 Q CA 0.305 56.336 55.803 0.380 0.000 0.945 34 Q CB 1.037 29.901 28.738 0.211 0.000 1.115 34 Q HN 0.356 nan 8.270 nan 0.000 0.513 35 V N 3.044 123.152 119.914 0.323 0.000 2.350 35 V HA 0.332 4.455 4.120 0.004 0.000 0.276 35 V C 0.309 176.472 176.094 0.116 0.000 1.028 35 V CA -0.412 61.980 62.300 0.152 0.000 0.860 35 V CB 1.250 33.137 31.823 0.106 0.000 0.990 35 V HN 0.215 nan 8.190 nan 0.000 0.453 36 S N 3.506 119.114 115.700 -0.154 0.000 2.681 36 S HA 0.545 5.018 4.470 0.004 0.000 0.299 36 S C -0.334 174.217 174.600 -0.081 0.000 1.113 36 S CA -0.800 57.206 58.200 -0.325 0.000 1.013 36 S CB 1.854 64.514 63.200 -0.899 0.000 1.076 36 S HN 0.598 nan 8.310 nan 0.000 0.534 37 N N 1.206 119.929 118.700 0.039 0.000 2.746 37 N HA 0.405 5.147 4.740 0.004 0.000 0.250 37 N C -2.389 173.212 175.510 0.151 0.000 1.146 37 N CA -2.213 50.879 53.050 0.069 0.000 0.828 37 N CB 1.242 39.755 38.487 0.043 0.000 1.158 37 N HN 0.233 nan 8.380 nan 0.000 0.519 38 P HA -0.168 nan 4.420 nan 0.000 0.215 38 P C 1.373 178.849 177.300 0.294 0.000 1.157 38 P CA 1.328 64.573 63.100 0.242 0.000 0.874 38 P CB 0.418 32.198 31.700 0.132 0.000 0.790 39 R N -0.369 120.277 120.500 0.244 0.000 2.083 39 R HA -0.165 4.178 4.340 0.004 0.000 0.237 39 R C 2.131 178.428 176.300 -0.005 0.000 1.137 39 R CA 1.504 57.670 56.100 0.111 0.000 0.951 39 R CB -1.344 28.998 30.300 0.070 0.000 0.851 39 R HN 0.058 nan 8.270 nan 0.000 0.434 40 L N 0.502 121.736 121.223 0.019 0.000 2.093 40 L HA 0.043 4.386 4.340 0.004 0.000 0.208 40 L C 2.189 179.048 176.870 -0.018 0.000 1.085 40 L CA 2.053 56.892 54.840 -0.002 0.000 0.755 40 L CB -0.746 41.320 42.059 0.011 0.000 0.904 40 L HN 0.310 nan 8.230 nan 0.000 0.435 41 A N -0.297 122.505 122.820 -0.031 0.000 1.877 41 A HA -0.113 4.209 4.320 0.004 0.000 0.216 41 A C 2.466 179.989 177.584 -0.102 0.000 1.186 41 A CA 1.931 53.894 52.037 -0.124 0.000 0.620 41 A CB -1.186 17.584 19.000 -0.383 0.000 0.822 41 A HN 0.576 nan 8.150 nan 0.000 0.443 42 A N -0.418 122.349 122.820 -0.089 0.000 1.873 42 A HA -0.117 4.205 4.320 0.004 0.000 0.215 42 A C 2.115 179.641 177.584 -0.095 0.000 1.186 42 A CA 1.668 53.633 52.037 -0.120 0.000 0.616 42 A CB -0.368 18.441 19.000 -0.319 0.000 0.823 42 A HN 0.378 nan 8.150 nan 0.000 0.442 43 K N -0.060 120.283 120.400 -0.094 0.000 2.063 43 K HA -0.181 4.142 4.320 0.004 0.000 0.208 43 K C 2.160 178.771 176.600 0.019 0.000 1.048 43 K CA 1.706 57.967 56.287 -0.043 0.000 0.928 43 K CB -0.448 32.029 32.500 -0.039 0.000 0.713 43 K HN 0.692 nan 8.250 nan 0.000 0.442 44 Q N -0.463 119.344 119.800 0.012 0.000 2.084 44 Q HA -0.109 4.233 4.340 0.004 0.000 0.202 44 Q C 2.226 178.242 176.000 0.026 0.000 0.978 44 Q CA 1.502 57.330 55.803 0.042 0.000 0.844 44 Q CB -0.303 28.455 28.738 0.034 0.000 0.898 44 Q HN 0.450 nan 8.270 nan 0.000 0.426 45 G N 0.602 109.399 108.800 -0.005 0.000 2.408 45 G HA2 -0.203 3.759 3.960 0.004 0.000 0.217 45 G HA3 -0.203 3.759 3.960 0.004 0.000 0.217 45 G C 1.318 176.213 174.900 -0.008 0.000 1.150 45 G CA 0.303 45.389 45.100 -0.024 0.000 0.776 45 G HN 0.119 nan 8.290 nan 0.000 0.542 46 L N 0.489 121.736 121.223 0.040 0.000 2.046 46 L HA 0.124 4.466 4.340 0.004 0.000 0.208 46 L C 2.899 179.899 176.870 0.216 0.000 1.077 46 L CA 1.001 55.922 54.840 0.135 0.000 0.747 46 L CB -0.865 41.270 42.059 0.126 0.000 0.896 46 L HN 0.180 nan 8.230 nan 0.000 0.432 47 L N -0.855 120.481 121.223 0.189 0.000 2.042 47 L HA -0.207 4.135 4.340 0.004 0.000 0.210 47 L C 1.723 178.616 176.870 0.039 0.000 1.076 47 L CA 0.859 55.805 54.840 0.177 0.000 0.749 47 L CB -0.422 41.759 42.059 0.204 0.000 0.893 47 L HN 0.220 nan 8.230 nan 0.000 0.432 51 A N 1.856 124.648 122.820 -0.047 0.000 1.883 51 A HA -0.056 4.266 4.320 0.004 0.000 0.217 51 A C 2.008 179.670 177.584 0.130 0.000 1.186 51 A CA 1.939 54.035 52.037 0.098 0.000 0.624 51 A CB -0.809 18.420 19.000 0.381 0.000 0.822 51 A HN 0.254 nan 8.150 nan 0.000 0.444 52 L N -0.989 120.291 121.223 0.096 0.000 2.046 52 L HA -0.201 4.141 4.340 0.004 0.000 0.208 52 L C 3.152 180.154 176.870 0.219 0.000 1.077 52 L CA 1.065 56.011 54.840 0.177 0.000 0.747 52 L CB -0.688 41.374 42.059 0.005 0.000 0.896 52 L HN 0.471 nan 8.230 nan 0.000 0.432 53 A N 0.198 123.058 122.820 0.067 0.000 1.865 53 A HA -0.260 4.063 4.320 0.004 0.000 0.217 53 A C 1.899 179.482 177.584 -0.000 0.000 1.191 53 A CA 2.183 54.233 52.037 0.022 0.000 0.623 53 A CB -0.654 18.324 19.000 -0.038 0.000 0.826 53 A HN 0.358 nan 8.150 nan 0.000 0.444 54 D N 0.050 120.439 120.400 -0.019 0.000 2.149 54 D HA -0.057 4.586 4.640 0.004 0.000 0.198 54 D C 1.946 178.233 176.300 -0.022 0.000 0.990 54 D CA 1.513 55.492 54.000 -0.036 0.000 0.839 54 D CB -0.393 40.377 40.800 -0.050 0.000 0.948 54 D HN 0.451 nan 8.370 nan 0.000 0.460 55 A N -0.590 122.256 122.820 0.044 0.000 2.239 55 A HA 0.361 4.684 4.320 0.004 0.000 0.209 55 A C 1.784 179.224 177.584 -0.240 0.000 1.171 55 A CA 1.287 53.335 52.037 0.017 0.000 0.768 55 A CB -0.263 18.898 19.000 0.268 0.000 0.790 55 A HN 0.296 nan 8.150 nan 0.000 0.478 56 G N -2.347 106.317 108.800 -0.226 0.000 2.179 56 G HA2 -0.203 3.759 3.960 0.004 0.000 0.220 56 G HA3 -0.203 3.759 3.960 0.004 0.000 0.220 56 G C -0.094 174.514 174.900 -0.486 0.000 0.990 56 G CA -0.092 44.772 45.100 -0.393 0.000 0.646 56 G HN 0.372 nan 8.290 nan 0.000 0.517 57 F N 1.775 121.669 119.950 -0.093 0.000 2.391 57 F HA 0.496 5.025 4.527 0.004 0.000 0.359 57 F C -1.714 174.042 175.800 -0.074 0.000 1.122 57 F CA -2.477 55.473 58.000 -0.084 0.000 1.120 57 F CB 1.177 40.155 39.000 -0.037 0.000 1.142 57 F HN -0.181 nan 8.300 nan 0.000 0.483 58 P HA -0.082 nan 4.420 nan 0.000 0.257 58 P C -0.824 176.496 177.300 0.033 0.000 1.162 58 P CA 0.373 63.520 63.100 0.079 0.000 0.762 58 P CB 0.440 32.254 31.700 0.190 0.000 0.753 59 Q N 2.750 122.524 119.800 -0.043 0.000 2.359 59 Q HA 0.776 5.118 4.340 0.004 0.000 0.274 59 Q C -1.605 174.237 176.000 -0.262 0.000 1.074 59 Q CA -0.789 54.938 55.803 -0.126 0.000 0.810 59 Q CB 2.063 30.762 28.738 -0.066 0.000 1.342 59 Q HN 0.457 nan 8.270 nan 0.000 0.427 60 A N 1.891 124.450 122.820 -0.435 0.000 2.552 60 A HA 0.912 5.235 4.320 0.004 0.000 0.288 60 A C -1.618 175.772 177.584 -0.323 0.000 1.193 60 A CA -0.399 51.303 52.037 -0.558 0.000 0.713 60 A CB 1.593 19.795 19.000 -1.330 0.000 1.305 60 A HN 0.737 nan 8.150 nan 0.000 0.424 61 V N -0.043 119.757 119.914 -0.190 0.000 3.007 61 V HA 0.725 4.847 4.120 0.004 0.000 0.311 61 V C -1.572 174.560 176.094 0.064 0.000 1.120 61 V CA -0.673 61.608 62.300 -0.032 0.000 0.980 61 V CB 1.841 33.637 31.823 -0.045 0.000 1.033 61 V HN 0.718 nan 8.190 nan 0.000 0.429 62 I N 6.979 127.606 120.570 0.095 0.000 2.466 62 I HA 0.464 4.636 4.170 0.004 0.000 0.289 62 I C -2.384 173.786 176.117 0.088 0.000 1.026 62 I CA -1.889 59.477 61.300 0.111 0.000 1.078 62 I CB 2.602 40.697 38.000 0.157 0.000 1.249 62 I HN 0.521 nan 8.210 nan 0.000 0.429 63 P HA 0.249 nan 4.420 nan 0.000 0.274 63 P C -2.686 174.763 177.300 0.249 0.000 1.246 63 P CA -1.205 61.972 63.100 0.129 0.000 0.795 63 P CB 0.129 31.902 31.700 0.122 0.000 1.006 64 P HA 0.199 nan 4.420 nan 0.000 0.277 64 P C -0.179 177.386 177.300 0.443 0.000 1.276 64 P CA -0.018 63.251 63.100 0.281 0.000 0.788 64 P CB 0.796 32.633 31.700 0.229 0.000 1.114 65 H N -1.816 117.291 119.070 0.060 0.000 2.630 65 H HA 0.223 4.781 4.556 0.004 0.000 0.343 65 H C 0.012 175.272 175.328 -0.114 0.000 1.232 65 H CA -0.842 55.227 56.048 0.036 0.000 1.294 65 H CB 1.213 30.975 29.762 0.001 0.000 1.746 65 H HN 0.460 nan 8.280 nan 0.000 0.593 66 E N 1.928 122.137 120.200 0.016 0.000 2.292 66 E HA 0.011 4.363 4.350 0.004 0.000 0.265 66 E C -0.722 175.953 176.600 0.125 0.000 1.093 66 E CA -0.178 56.236 56.400 0.023 0.000 0.922 66 E CB 0.204 30.085 29.700 0.303 0.000 1.001 66 E HN 0.293 nan 8.360 nan 0.000 0.444 67 R N 4.706 125.210 120.500 0.006 0.000 2.564 67 R HA 0.351 4.694 4.340 0.004 0.000 0.284 67 R C -2.655 173.613 176.300 -0.053 0.000 1.031 67 R CA -2.173 53.946 56.100 0.032 0.000 0.904 67 R CB 1.418 31.732 30.300 0.024 0.000 1.199 67 R HN 0.475 nan 8.270 nan 0.000 0.443 68 P HA 0.060 nan 4.420 nan 0.000 0.269 68 P C -0.590 176.789 177.300 0.132 0.000 1.215 68 P CA -0.159 62.967 63.100 0.044 0.000 0.780 68 P CB 0.338 32.032 31.700 -0.010 0.000 0.898 69 F N 3.685 123.640 119.950 0.008 0.000 2.384 69 F HA 0.184 4.713 4.527 0.003 0.000 0.359 69 F C 1.077 176.891 175.800 0.024 0.000 1.143 69 F CA -0.403 57.612 58.000 0.026 0.000 1.216 69 F CB -0.341 38.691 39.000 0.053 0.000 1.512 69 F HN 0.150 nan 8.300 nan 0.000 0.573 70 I N 5.819 126.277 120.570 -0.187 0.000 2.264 70 I HA -0.176 3.996 4.170 0.004 0.000 0.248 70 I C -0.431 175.519 176.117 -0.278 0.000 1.111 70 I CA 1.019 62.205 61.300 -0.190 0.000 1.382 70 I CB -2.108 35.804 38.000 -0.146 0.000 1.060 70 I HN 0.348 nan 8.210 nan 0.000 0.418 71 P HA -0.156 nan 4.420 nan 0.000 0.217 71 P C 2.235 179.393 177.300 -0.237 0.000 1.151 71 P CA 1.167 64.007 63.100 -0.435 0.000 0.849 71 P CB 0.024 31.311 31.700 -0.688 0.000 0.787 72 V N -1.010 118.792 119.914 -0.186 0.000 2.667 72 V HA -0.133 3.990 4.120 0.004 0.000 0.252 72 V C 2.026 178.131 176.094 0.019 0.000 1.065 72 V CA 1.265 63.592 62.300 0.046 0.000 1.083 72 V CB -0.936 31.034 31.823 0.246 0.000 0.692 72 V HN 0.016 nan 8.190 nan 0.000 0.468 73 L N -0.551 120.668 121.223 -0.007 0.000 2.093 73 L HA -0.117 4.226 4.340 0.004 0.000 0.208 73 L C 2.745 179.683 176.870 0.113 0.000 1.085 73 L CA 1.547 56.404 54.840 0.027 0.000 0.755 73 L CB -0.536 41.502 42.059 -0.036 0.000 0.904 73 L HN 0.250 nan 8.230 nan 0.000 0.435 74 R N -0.420 120.096 120.500 0.027 0.000 2.092 74 R HA -0.156 4.186 4.340 0.004 0.000 0.231 74 R C 2.252 178.545 176.300 -0.012 0.000 1.119 74 R CA 1.018 57.130 56.100 0.019 0.000 0.970 74 R CB -0.236 30.051 30.300 -0.022 0.000 0.864 74 R HN 0.424 nan 8.270 nan 0.000 0.440 75 Q N 0.464 120.253 119.800 -0.019 0.000 2.226 75 Q HA -0.085 4.258 4.340 0.004 0.000 0.204 75 Q C 1.656 177.620 176.000 -0.060 0.000 0.975 75 Q CA 0.976 56.766 55.803 -0.022 0.000 0.866 75 Q CB 0.101 28.847 28.738 0.012 0.000 0.915 75 Q HN 0.367 nan 8.270 nan 0.000 0.440 76 L N -1.307 119.864 121.223 -0.087 0.000 2.591 76 L HA 0.109 4.452 4.340 0.004 0.000 0.228 76 L C 1.103 177.787 176.870 -0.310 0.000 1.133 76 L CA 0.512 55.237 54.840 -0.191 0.000 0.880 76 L CB 0.244 42.116 42.059 -0.311 0.000 1.033 76 L HN 0.408 nan 8.230 nan 0.000 0.450 77 G N -0.636 108.009 108.800 -0.258 0.000 2.184 77 G HA2 -0.251 3.711 3.960 0.004 0.000 0.206 77 G HA3 -0.251 3.711 3.960 0.004 0.000 0.206 77 G C 0.029 174.657 174.900 -0.454 0.000 0.995 77 G CA -0.662 44.212 45.100 -0.377 0.000 0.651 77 G HN 0.155 nan 8.290 nan 0.000 0.511 78 F N 2.858 122.764 119.950 -0.073 0.000 2.411 78 F HA 0.626 5.157 4.527 0.007 0.000 0.355 78 F C 1.014 176.784 175.800 -0.049 0.000 1.117 78 F CA -0.093 57.874 58.000 -0.054 0.000 1.139 78 F CB 1.634 40.599 39.000 -0.058 0.000 1.120 78 F HN 0.245 nan 8.300 nan 0.000 0.493 79 S N 1.919 117.680 115.700 0.101 0.000 2.747 79 S HA 0.997 5.470 4.470 0.004 0.000 0.300 79 S C 0.067 174.696 174.600 0.048 0.000 1.121 79 S CA -0.120 58.109 58.200 0.048 0.000 0.995 79 S CB 1.835 65.042 63.200 0.011 0.000 1.113 79 S HN 1.395 nan 8.310 nan 0.000 0.547 80 G N 0.692 109.506 108.800 0.023 0.000 2.342 80 G HA2 0.185 4.147 3.960 0.004 0.000 0.220 80 G HA3 0.185 4.147 3.960 0.004 0.000 0.220 80 G C -0.259 174.644 174.900 0.005 0.000 1.243 80 G CA -0.314 44.795 45.100 0.015 0.000 1.083 80 G HN 1.921 nan 8.290 nan 0.000 0.500 81 S N -0.238 115.461 115.700 -0.001 0.000 2.669 81 S HA 0.527 4.999 4.470 0.004 0.000 0.270 81 S C 0.885 175.475 174.600 -0.018 0.000 1.225 81 S CA 0.675 58.870 58.200 -0.009 0.000 0.991 81 S CB 1.525 64.719 63.200 -0.009 0.000 0.987 81 S HN 0.567 nan 8.310 nan 0.000 0.552 82 D N 0.863 121.247 120.400 -0.027 0.000 2.133 82 D HA -0.126 4.517 4.640 0.004 0.000 0.195 82 D C 1.726 177.997 176.300 -0.048 0.000 0.997 82 D CA 1.769 55.743 54.000 -0.044 0.000 0.840 82 D CB -0.266 40.503 40.800 -0.052 0.000 0.947 82 D HN 0.782 nan 8.370 nan 0.000 0.452 83 E N -0.040 120.135 120.200 -0.041 0.000 2.107 83 E HA -0.116 4.236 4.350 0.004 0.000 0.191 83 E C 2.155 178.733 176.600 -0.037 0.000 0.982 83 E CA 0.520 56.894 56.400 -0.043 0.000 0.809 83 E CB 0.048 29.726 29.700 -0.037 0.000 0.756 83 E HN 0.389 nan 8.360 nan 0.000 0.459 84 Q N 0.095 119.881 119.800 -0.023 0.000 2.083 84 Q HA -0.108 4.234 4.340 0.004 0.000 0.198 84 Q C 2.347 178.340 176.000 -0.012 0.000 0.969 84 Q CA 1.052 56.848 55.803 -0.012 0.000 0.838 84 Q CB 0.083 28.822 28.738 0.002 0.000 0.900 84 Q HN 0.134 nan 8.270 nan 0.000 0.436 85 V N 1.098 121.003 119.914 -0.014 0.000 2.287 85 V HA -0.264 3.858 4.120 0.004 0.000 0.248 85 V C 2.188 178.219 176.094 -0.104 0.000 1.053 85 V CA 1.505 63.793 62.300 -0.019 0.000 1.027 85 V CB -0.490 31.324 31.823 -0.014 0.000 0.646 85 V HN 0.297 nan 8.190 nan 0.000 0.447 86 L N 0.093 121.258 121.223 -0.095 0.000 2.042 86 L HA -0.202 4.141 4.340 0.004 0.000 0.210 86 L C 2.429 179.231 176.870 -0.113 0.000 1.076 86 L CA 2.003 56.774 54.840 -0.115 0.000 0.749 86 L CB -0.634 41.372 42.059 -0.088 0.000 0.893 86 L HN 0.399 nan 8.230 nan 0.000 0.432 87 E N -0.855 119.299 120.200 -0.077 0.000 2.047 87 E HA -0.234 4.118 4.350 0.004 0.000 0.191 87 E C 2.157 178.721 176.600 -0.060 0.000 0.987 87 E CA 1.283 57.648 56.400 -0.058 0.000 0.799 87 E CB -0.107 29.573 29.700 -0.033 0.000 0.752 87 E HN 0.479 nan 8.360 nan 0.000 0.449 88 K N 0.509 120.879 120.400 -0.050 0.000 2.063 88 K HA -0.131 4.192 4.320 0.004 0.000 0.208 88 K C 2.212 178.737 176.600 -0.125 0.000 1.048 88 K CA 1.236 57.518 56.287 -0.008 0.000 0.928 88 K CB -0.133 32.437 32.500 0.115 0.000 0.713 88 K HN -0.015 nan 8.250 nan 0.000 0.442 89 V N 1.346 121.037 119.914 -0.372 0.000 2.358 89 V HA -0.241 3.882 4.120 0.004 0.000 0.246 89 V C 2.362 178.316 176.094 -0.234 0.000 1.047 89 V CA 1.961 63.930 62.300 -0.551 0.000 1.035 89 V CB -0.677 30.757 31.823 -0.649 0.000 0.658 89 V HN 0.361 nan 8.190 nan 0.000 0.452 90 A N 1.390 124.115 122.820 -0.159 0.000 1.908 90 A HA -0.269 4.054 4.320 0.004 0.000 0.218 90 A C 2.378 179.927 177.584 -0.058 0.000 1.181 90 A CA 2.337 54.318 52.037 -0.093 0.000 0.627 90 A CB -0.506 18.448 19.000 -0.076 0.000 0.818 90 A HN 0.713 nan 8.150 nan 0.000 0.445 91 R N -0.784 119.691 120.500 -0.042 0.000 2.062 91 R HA -0.047 4.296 4.340 0.004 0.000 0.226 91 R C 2.082 178.393 176.300 0.017 0.000 1.125 91 R CA 1.435 57.530 56.100 -0.007 0.000 0.966 91 R CB -0.548 29.755 30.300 0.005 0.000 0.861 91 R HN 0.597 nan 8.270 nan 0.000 0.433 92 Q N 0.485 120.309 119.800 0.040 0.000 2.089 92 Q HA 0.168 4.510 4.340 0.004 0.000 0.195 92 Q C 0.487 176.551 176.000 0.105 0.000 0.963 92 Q CA 1.106 56.973 55.803 0.107 0.000 0.834 92 Q CB 0.471 29.346 28.738 0.227 0.000 0.906 92 Q HN 0.456 nan 8.270 nan 0.000 0.452 93 A N 1.300 124.145 122.820 0.041 0.000 3.409 93 A HA 0.251 4.574 4.320 0.004 0.000 0.282 93 A C -2.139 175.301 177.584 -0.241 0.000 1.064 93 A CA -0.978 51.025 52.037 -0.056 0.000 0.889 93 A CB 0.490 19.581 19.000 0.153 0.000 1.251 93 A HN -0.030 nan 8.150 nan 0.000 0.538 94 P HA -0.251 nan 4.420 nan 0.000 0.220 94 P C 1.048 178.294 177.300 -0.091 0.000 1.144 94 P CA 1.873 64.912 63.100 -0.101 0.000 0.800 94 P CB -0.262 31.414 31.700 -0.041 0.000 0.772 95 H N -3.277 115.742 119.070 -0.085 0.000 2.491 95 H HA -0.060 4.498 4.556 0.003 0.000 0.290 95 H C 1.798 177.068 175.328 -0.096 0.000 1.050 95 H CA 0.676 56.637 56.048 -0.145 0.000 1.309 95 H CB -1.563 28.034 29.762 -0.276 0.000 1.392 95 H HN 0.195 nan 8.280 nan 0.000 0.554 96 W N 0.869 122.027 121.300 -0.237 0.000 2.467 96 W HA 0.063 4.725 4.660 0.003 0.000 0.275 96 W C 1.780 178.312 176.519 0.021 0.000 1.239 96 W CA 0.220 57.536 57.345 -0.048 0.000 1.266 96 W CB 0.038 29.409 29.460 -0.148 0.000 1.112 96 W HN 0.172 nan 8.180 nan 0.000 0.576 97 L N -0.430 120.887 121.223 0.156 0.000 2.013 97 L HA -0.315 4.027 4.340 0.004 0.000 0.212 97 L C 2.676 179.615 176.870 0.115 0.000 1.073 97 L CA 1.680 56.568 54.840 0.080 0.000 0.753 97 L CB -1.239 40.809 42.059 -0.018 0.000 0.890 97 L HN -0.047 nan 8.230 nan 0.000 0.432 98 S N -0.811 114.973 115.700 0.140 0.000 2.368 98 S HA -0.173 4.299 4.470 0.004 0.000 0.225 98 S C 2.135 176.921 174.600 0.309 0.000 1.030 98 S CA 1.723 60.066 58.200 0.239 0.000 0.999 98 S CB -0.092 63.256 63.200 0.247 0.000 0.844 98 S HN 0.395 nan 8.310 nan 0.000 0.459 99 S N 0.121 116.025 115.700 0.340 0.000 2.447 99 S HA 0.023 4.496 4.470 0.004 0.000 0.233 99 S C 1.345 176.226 174.600 0.469 0.000 1.006 99 S CA 1.003 59.484 58.200 0.469 0.000 0.957 99 S CB 0.059 63.690 63.200 0.719 0.000 0.773 99 S HN 0.420 nan 8.310 nan 0.000 0.507 100 V N 0.742 120.888 119.914 0.386 0.000 3.319 100 V HA 0.307 4.429 4.120 0.004 0.000 0.317 100 V C 0.331 176.562 176.094 0.230 0.000 1.411 100 V CA 0.249 62.736 62.300 0.311 0.000 1.112 100 V CB 0.400 32.412 31.823 0.315 0.000 1.031 100 V HN 0.316 nan 8.190 nan 0.000 0.448 101 S N -0.488 115.345 115.700 0.222 0.000 2.846 101 S HA 0.248 4.721 4.470 0.004 0.000 0.249 101 S C 0.496 175.271 174.600 0.291 0.000 1.028 101 S CA 0.064 58.365 58.200 0.169 0.000 1.043 101 S CB 0.565 63.774 63.200 0.015 0.000 0.990 101 S HN 0.469 nan 8.310 nan 0.000 0.564 102 S N 1.719 117.583 115.700 0.273 0.000 2.565 102 S HA 0.530 5.003 4.470 0.004 0.000 0.276 102 S C 0.898 175.554 174.600 0.094 0.000 1.326 102 S CA -0.288 58.027 58.200 0.191 0.000 1.045 102 S CB 0.922 64.248 63.200 0.210 0.000 0.918 102 S HN 0.448 nan 8.310 nan 0.000 0.505 103 A N 3.457 126.297 122.820 0.033 0.000 2.370 103 A HA 0.225 4.548 4.320 0.004 0.000 0.238 103 A C 1.833 179.254 177.584 -0.270 0.000 1.289 103 A CA 0.435 52.431 52.037 -0.068 0.000 0.885 103 A CB -0.855 18.144 19.000 -0.002 0.000 0.961 103 A HN 1.091 nan 8.150 nan 0.000 0.499 104 S N 0.933 116.541 115.700 -0.154 0.000 2.420 104 S HA -0.068 4.405 4.470 0.004 0.000 0.237 104 S C -0.957 173.502 174.600 -0.235 0.000 1.023 104 S CA 0.521 58.632 58.200 -0.149 0.000 0.991 104 S CB -1.490 61.913 63.200 0.338 0.000 0.792 104 S HN 0.508 nan 8.310 nan 0.000 0.488 108 V N -0.076 119.935 119.914 0.162 0.000 3.241 108 V HA -0.034 4.088 4.120 0.004 0.000 0.269 108 V C 1.825 177.984 176.094 0.109 0.000 1.151 108 V CA 2.073 64.444 62.300 0.117 0.000 1.158 108 V CB -0.583 31.308 31.823 0.114 0.000 0.764 108 V HN 0.259 nan 8.190 nan 0.000 0.508 109 A N 1.254 124.152 122.820 0.129 0.000 2.070 109 A HA -0.128 4.194 4.320 0.004 0.000 0.220 109 A C 1.876 179.480 177.584 0.034 0.000 1.159 109 A CA 2.017 54.100 52.037 0.077 0.000 0.656 109 A CB -0.838 18.204 19.000 0.069 0.000 0.800 109 A HN 0.708 nan 8.150 nan 0.000 0.453 110 N N -0.694 118.035 118.700 0.049 0.000 2.280 110 N HA 0.310 5.053 4.740 0.004 0.000 0.192 110 N C 1.467 177.005 175.510 0.048 0.000 1.109 110 N CA 0.467 53.532 53.050 0.026 0.000 0.855 110 N CB 0.160 38.664 38.487 0.028 0.000 0.974 110 N HN 0.418 nan 8.380 nan 0.000 0.482 111 A N 0.515 123.366 122.820 0.051 0.000 1.933 111 A HA 0.395 4.717 4.320 0.004 0.000 0.218 111 A C 1.022 178.622 177.584 0.027 0.000 1.175 111 A CA 1.512 53.577 52.037 0.047 0.000 0.628 111 A CB -0.021 19.012 19.000 0.056 0.000 0.814 111 A HN 0.317 nan 8.150 nan 0.000 0.444 112 A N -3.433 119.390 122.820 0.004 0.000 2.483 112 A HA 0.589 4.912 4.320 0.004 0.000 0.294 112 A C -0.671 176.883 177.584 -0.051 0.000 1.077 112 A CA -0.022 52.005 52.037 -0.016 0.000 0.633 112 A CB -0.008 18.964 19.000 -0.046 0.000 1.318 112 A HN 0.183 nan 8.150 nan 0.000 0.455 113 T N 1.649 116.160 114.554 -0.071 0.000 2.807 113 T HA 0.601 4.954 4.350 0.004 0.000 0.279 113 T C -0.412 174.170 174.700 -0.197 0.000 0.993 113 T CA -0.272 61.715 62.100 -0.189 0.000 0.970 113 T CB 0.711 69.487 68.868 -0.153 0.000 0.950 113 T HN 0.461 nan 8.240 nan 0.000 0.441 114 I N 2.316 122.719 120.570 -0.280 0.000 2.412 114 I HA 0.672 4.845 4.170 0.004 0.000 0.296 114 I C 0.152 176.216 176.117 -0.088 0.000 0.987 114 I CA -1.241 59.961 61.300 -0.164 0.000 1.180 114 I CB 1.134 39.057 38.000 -0.128 0.000 1.340 114 I HN 0.714 nan 8.210 nan 0.000 0.455 115 A N 7.906 130.738 122.820 0.020 0.000 2.363 115 A HA 0.741 5.063 4.320 0.004 0.000 0.296 115 A C -2.651 175.001 177.584 0.114 0.000 1.237 115 A CA -1.420 50.679 52.037 0.102 0.000 0.773 115 A CB 0.729 19.812 19.000 0.139 0.000 1.153 115 A HN 0.410 nan 8.150 nan 0.000 0.473 116 P HA 0.034 nan 4.420 nan 0.000 0.268 116 P C 1.234 178.602 177.300 0.113 0.000 1.208 116 P CA 0.282 63.447 63.100 0.109 0.000 0.777 116 P CB 0.860 32.634 31.700 0.123 0.000 0.875 117 S N 1.663 117.421 115.700 0.096 0.000 2.465 117 S HA -0.189 4.284 4.470 0.004 0.000 0.241 117 S C 1.722 176.369 174.600 0.077 0.000 1.000 117 S CA 1.063 59.314 58.200 0.085 0.000 0.964 117 S CB -1.121 62.102 63.200 0.039 0.000 0.763 117 S HN 0.487 nan 8.310 nan 0.000 0.512 118 A N 1.305 124.176 122.820 0.084 0.000 2.168 118 A HA 0.060 4.382 4.320 0.004 0.000 0.215 118 A C 1.427 179.057 177.584 0.077 0.000 1.152 118 A CA 1.095 53.180 52.037 0.079 0.000 0.716 118 A CB -0.183 18.875 19.000 0.096 0.000 0.794 118 A HN 0.504 nan 8.150 nan 0.000 0.465 119 D N -0.905 119.546 120.400 0.085 0.000 2.441 119 D HA 0.077 4.719 4.640 0.004 0.000 0.210 119 D C 0.697 177.032 176.300 0.058 0.000 1.102 119 D CA 0.897 54.943 54.000 0.076 0.000 0.840 119 D CB 0.129 40.987 40.800 0.096 0.000 0.990 119 D HN 0.482 nan 8.370 nan 0.000 0.505 120 T N -1.353 113.238 114.554 0.063 0.000 2.909 120 T HA 0.378 4.731 4.350 0.004 0.000 0.286 120 T C 1.602 176.316 174.700 0.023 0.000 1.002 120 T CA -0.645 61.472 62.100 0.029 0.000 1.074 120 T CB 1.475 70.397 68.868 0.089 0.000 0.984 120 T HN -0.126 nan 8.240 nan 0.000 0.495 121 L N 0.978 122.194 121.223 -0.012 0.000 2.291 121 L HA 0.079 4.422 4.340 0.004 0.000 0.214 121 L C 1.909 178.795 176.870 0.026 0.000 1.120 121 L CA 0.957 55.799 54.840 0.002 0.000 0.799 121 L CB -0.475 41.574 42.059 -0.016 0.000 0.925 121 L HN 0.798 nan 8.230 nan 0.000 0.446 122 D N -0.622 119.812 120.400 0.058 0.000 2.402 122 D HA 0.068 4.711 4.640 0.004 0.000 0.216 122 D C 1.349 177.700 176.300 0.084 0.000 1.128 122 D CA 0.451 54.500 54.000 0.083 0.000 0.833 122 D CB 0.376 41.254 40.800 0.130 0.000 0.971 122 D HN 0.189 nan 8.370 nan 0.000 0.503 123 G N 0.787 109.634 108.800 0.078 0.000 2.180 123 G HA2 -0.333 3.630 3.960 0.004 0.000 0.263 123 G HA3 -0.333 3.630 3.960 0.004 0.000 0.263 123 G C 0.218 175.145 174.900 0.047 0.000 0.989 123 G CA 0.673 45.806 45.100 0.055 0.000 0.692 123 G HN 0.477 nan 8.290 nan 0.000 0.526 124 K N -0.773 119.686 120.400 0.098 0.000 2.211 124 K HA 0.642 4.965 4.320 0.004 0.000 0.237 124 K C 0.148 176.785 176.600 0.063 0.000 1.002 124 K CA -0.966 55.318 56.287 -0.006 0.000 0.885 124 K CB 2.189 34.619 32.500 -0.117 0.000 1.136 124 K HN -0.016 nan 8.250 nan 0.000 0.448 125 V N 2.690 122.569 119.914 -0.058 0.000 2.461 125 V HA 0.100 4.222 4.120 0.004 0.000 0.275 125 V C -0.077 175.958 176.094 -0.098 0.000 1.047 125 V CA -0.225 62.092 62.300 0.029 0.000 0.955 125 V CB 0.359 32.254 31.823 0.119 0.000 0.988 125 V HN 0.578 nan 8.190 nan 0.000 0.471 126 H N 5.387 124.456 119.070 -0.001 0.000 2.469 126 H HA 0.608 5.166 4.556 0.004 0.000 0.342 126 H C -1.201 174.081 175.328 -0.077 0.000 1.115 126 H CA -0.671 55.372 56.048 -0.008 0.000 1.204 126 H CB 2.167 32.023 29.762 0.155 0.000 1.492 126 H HN 0.356 nan 8.280 nan 0.000 0.499 127 L N 2.548 123.722 121.223 -0.081 0.000 2.406 127 L HA 0.250 4.592 4.340 0.004 0.000 0.272 127 L C 0.116 176.976 176.870 -0.017 0.000 0.980 127 L CA -0.355 54.410 54.840 -0.126 0.000 0.831 127 L CB 1.979 43.840 42.059 -0.330 0.000 1.253 127 L HN 0.518 nan 8.230 nan 0.000 0.406 128 T N 2.231 116.829 114.554 0.073 0.000 2.772 128 T HA 0.486 4.838 4.350 0.004 0.000 0.288 128 T C 0.148 174.885 174.700 0.062 0.000 0.994 128 T CA -0.471 61.710 62.100 0.135 0.000 0.951 128 T CB 1.372 70.349 68.868 0.181 0.000 0.933 128 T HN 0.203 nan 8.240 nan 0.000 0.447 129 V N 3.242 123.188 119.914 0.053 0.000 2.673 129 V HA 0.325 4.448 4.120 0.004 0.000 0.303 129 V C 0.873 177.001 176.094 0.057 0.000 1.046 129 V CA -0.456 61.868 62.300 0.040 0.000 1.126 129 V CB 0.363 32.209 31.823 0.038 0.000 0.934 129 V HN 1.037 nan 8.190 nan 0.000 0.487 130 A N 3.971 126.824 122.820 0.055 0.000 2.328 130 A HA 0.421 4.743 4.320 0.004 0.000 0.284 130 A C 1.091 178.712 177.584 0.063 0.000 1.160 130 A CA -0.333 51.745 52.037 0.069 0.000 0.818 130 A CB 0.132 19.176 19.000 0.074 0.000 1.087 130 A HN 1.017 nan 8.150 nan 0.000 0.504 131 N N 2.474 121.214 118.700 0.067 0.000 2.331 131 N HA -0.117 4.625 4.740 0.004 0.000 0.180 131 N C 0.443 175.983 175.510 0.050 0.000 1.019 131 N CA 1.006 54.090 53.050 0.056 0.000 0.881 131 N CB -0.821 37.701 38.487 0.058 0.000 0.972 131 N HN 0.725 nan 8.380 nan 0.000 0.435 132 L N -0.043 121.220 121.223 0.067 0.000 3.742 132 L HA -0.276 4.067 4.340 0.004 0.000 0.431 132 L C 1.201 178.101 176.870 0.050 0.000 1.220 132 L CA 0.422 55.301 54.840 0.066 0.000 0.863 132 L CB -2.007 40.073 42.059 0.036 0.000 1.751 132 L HN 0.474 nan 8.230 nan 0.000 0.922 133 N N 1.127 119.868 118.700 0.068 0.000 2.223 133 N HA -0.204 4.539 4.740 0.004 0.000 0.185 133 N C 1.495 177.058 175.510 0.088 0.000 1.016 133 N CA 1.588 54.682 53.050 0.074 0.000 0.863 133 N CB 0.049 38.582 38.487 0.077 0.000 0.983 133 N HN 0.685 nan 8.380 nan 0.000 0.429 134 N N 0.586 119.337 118.700 0.084 0.000 2.104 134 N HA -0.118 4.624 4.740 0.004 0.000 0.190 134 N C -0.407 175.162 175.510 0.098 0.000 1.024 134 N CA 1.020 54.121 53.050 0.085 0.000 0.853 134 N CB 0.124 38.653 38.487 0.071 0.000 1.008 134 N HN 0.097 nan 8.380 nan 0.000 0.424 135 K N 0.876 121.320 120.400 0.073 0.000 2.265 135 K HA 0.059 4.382 4.320 0.004 0.000 0.267 135 K C 0.446 177.114 176.600 0.113 0.000 0.994 135 K CA -0.599 55.744 56.287 0.094 0.000 0.860 135 K CB 0.904 33.383 32.500 -0.035 0.000 1.099 135 K HN 0.034 nan 8.250 nan 0.000 0.448 136 F N 4.613 124.648 119.950 0.142 0.000 2.063 136 F HA -0.351 4.178 4.527 0.003 0.000 0.298 136 F C 2.442 178.348 175.800 0.177 0.000 1.109 136 F CA 2.142 60.253 58.000 0.184 0.000 1.212 136 F CB 0.092 39.259 39.000 0.279 0.000 0.973 136 F HN 0.786 nan 8.300 nan 0.000 0.480 137 H N 0.106 119.243 119.070 0.111 0.000 2.456 137 H HA -0.065 4.493 4.556 0.004 0.000 0.296 137 H C 1.859 177.152 175.328 -0.059 0.000 1.079 137 H CA 1.592 57.633 56.048 -0.011 0.000 1.322 137 H CB -0.733 29.130 29.762 0.169 0.000 1.388 137 H HN 0.373 nan 8.280 nan 0.000 0.538 138 R N 0.828 121.004 120.500 -0.540 0.000 2.173 138 R HA 0.005 4.348 4.340 0.004 0.000 0.208 138 R C 2.562 178.757 176.300 -0.175 0.000 1.035 138 R CA 0.860 56.764 56.100 -0.326 0.000 1.004 138 R CB 0.039 30.154 30.300 -0.309 0.000 0.917 138 R HN 0.477 nan 8.270 nan 0.000 0.462 139 S N 1.135 116.736 115.700 -0.165 0.000 2.469 139 S HA -0.047 4.426 4.470 0.004 0.000 0.238 139 S C 1.971 176.497 174.600 -0.123 0.000 0.998 139 S CA 0.713 58.856 58.200 -0.095 0.000 0.957 139 S CB -0.346 62.829 63.200 -0.041 0.000 0.764 139 S HN 0.226 nan 8.310 nan 0.000 0.514 140 L N 0.794 121.887 121.223 -0.216 0.000 2.376 140 L HA 0.026 4.369 4.340 0.004 0.000 0.219 140 L C 2.667 179.428 176.870 -0.183 0.000 1.133 140 L CA 1.012 55.722 54.840 -0.216 0.000 0.816 140 L CB -0.574 41.310 42.059 -0.291 0.000 0.933 140 L HN 0.396 nan 8.230 nan 0.000 0.449 141 E N 0.713 120.847 120.200 -0.110 0.000 2.047 141 E HA -0.190 4.162 4.350 0.004 0.000 0.191 141 E C 2.404 179.042 176.600 0.064 0.000 0.987 141 E CA 1.007 57.409 56.400 0.004 0.000 0.799 141 E CB -0.196 29.484 29.700 -0.033 0.000 0.752 141 E HN 0.468 nan 8.360 nan 0.000 0.449 142 A N 2.079 124.916 122.820 0.028 0.000 1.906 142 A HA -0.246 4.077 4.320 0.004 0.000 0.222 142 A C -0.220 177.383 177.584 0.031 0.000 1.282 142 A CA 2.353 54.412 52.037 0.038 0.000 0.675 142 A CB -1.913 17.105 19.000 0.031 0.000 0.838 142 A HN 0.173 nan 8.150 nan 0.000 0.469 143 P HA -0.114 nan 4.420 nan 0.000 0.215 143 P C 1.623 178.916 177.300 -0.012 0.000 1.157 143 P CA 1.704 64.816 63.100 0.020 0.000 0.874 143 P CB -0.149 31.581 31.700 0.051 0.000 0.790 144 V N -0.998 118.885 119.914 -0.052 0.000 2.453 144 V HA -0.182 3.941 4.120 0.004 0.000 0.247 144 V C 2.293 178.276 176.094 -0.186 0.000 1.048 144 V CA 2.283 64.482 62.300 -0.167 0.000 1.049 144 V CB -1.754 29.863 31.823 -0.344 0.000 0.672 144 V HN 0.179 nan 8.190 nan 0.000 0.457 145 T N -0.485 114.060 114.554 -0.014 0.000 2.788 145 T HA -0.230 4.123 4.350 0.004 0.000 0.268 145 T C 1.870 176.572 174.700 0.004 0.000 1.044 145 T CA 1.806 63.948 62.100 0.070 0.000 1.139 145 T CB -0.143 68.814 68.868 0.148 0.000 0.867 145 T HN 0.623 nan 8.240 nan 0.000 0.454 146 E N 0.604 120.799 120.200 -0.008 0.000 2.051 146 E HA -0.122 4.231 4.350 0.004 0.000 0.192 146 E C 2.347 178.920 176.600 -0.045 0.000 0.991 146 E CA 1.198 57.588 56.400 -0.018 0.000 0.799 146 E CB -0.033 29.664 29.700 -0.006 0.000 0.748 146 E HN 0.347 nan 8.360 nan 0.000 0.449 147 S N 0.818 116.474 115.700 -0.074 0.000 2.359 147 S HA -0.158 4.314 4.470 0.004 0.000 0.224 147 S C 1.986 176.503 174.600 -0.138 0.000 1.035 147 S CA 1.070 59.203 58.200 -0.111 0.000 1.018 147 S CB -0.268 62.841 63.200 -0.152 0.000 0.876 147 S HN 0.267 nan 8.310 nan 0.000 0.448 148 L N 1.032 122.164 121.223 -0.151 0.000 2.017 148 L HA -0.112 4.231 4.340 0.004 0.000 0.208 148 L C 2.314 179.142 176.870 -0.070 0.000 1.073 148 L CA 1.132 55.889 54.840 -0.138 0.000 0.745 148 L CB -0.690 41.312 42.059 -0.095 0.000 0.894 148 L HN 0.286 nan 8.230 nan 0.000 0.432 149 L N -0.283 120.933 121.223 -0.013 0.000 2.083 149 L HA -0.217 4.126 4.340 0.004 0.000 0.209 149 L C 2.578 179.486 176.870 0.063 0.000 1.083 149 L CA 1.407 56.293 54.840 0.076 0.000 0.752 149 L CB -0.472 41.610 42.059 0.039 0.000 0.899 149 L HN 0.255 nan 8.230 nan 0.000 0.433 150 K N -0.130 120.262 120.400 -0.012 0.000 2.288 150 K HA -0.048 4.274 4.320 0.004 0.000 0.201 150 K C 2.046 178.616 176.600 -0.051 0.000 1.048 150 K CA 1.042 57.316 56.287 -0.022 0.000 0.956 150 K CB -0.049 32.430 32.500 -0.036 0.000 0.746 150 K HN 0.268 nan 8.250 nan 0.000 0.461 151 A N 0.616 123.381 122.820 -0.091 0.000 2.081 151 A HA 0.057 4.380 4.320 0.004 0.000 0.214 151 A C 1.878 179.365 177.584 -0.160 0.000 1.158 151 A CA 0.627 52.592 52.037 -0.120 0.000 0.724 151 A CB -0.109 18.801 19.000 -0.150 0.000 0.826 151 A HN 0.106 nan 8.150 nan 0.000 0.463 152 I N -2.279 118.160 120.570 -0.218 0.000 2.556 152 I HA 0.039 4.212 4.170 0.004 0.000 0.251 152 I C 0.064 175.779 176.117 -0.670 0.000 1.105 152 I CA 0.654 61.698 61.300 -0.426 0.000 1.436 152 I CB 0.128 37.817 38.000 -0.519 0.000 1.139 152 I HN 0.215 nan 8.210 nan 0.000 0.438 153 F N 1.049 120.771 119.950 -0.380 0.000 2.461 153 F HA 0.235 4.765 4.527 0.004 0.000 0.321 153 F C 1.115 176.768 175.800 -0.245 0.000 1.203 153 F CA -0.383 57.188 58.000 -0.715 0.000 1.238 153 F CB -0.382 38.049 39.000 -0.948 0.000 1.528 153 F HN -0.074 nan 8.300 nan 0.000 0.554 154 N N 0.474 119.172 118.700 -0.003 0.000 2.300 154 N HA -0.147 4.595 4.740 0.004 0.000 0.179 154 N C 0.441 176.052 175.510 0.169 0.000 1.016 154 N CA 0.553 53.645 53.050 0.070 0.000 0.876 154 N CB 0.079 38.569 38.487 0.005 0.000 0.979 154 N HN 0.188 nan 8.380 nan 0.000 0.432 155 D N 0.941 121.528 120.400 0.313 0.000 2.346 155 D HA -0.024 4.618 4.640 0.004 0.000 0.267 155 D C 0.230 176.635 176.300 0.175 0.000 1.320 155 D CA 0.285 54.419 54.000 0.222 0.000 0.951 155 D CB 0.361 41.279 40.800 0.197 0.000 1.079 155 D HN 0.295 nan 8.370 nan 0.000 0.509 156 E N 2.063 122.308 120.200 0.075 0.000 2.409 156 E HA -0.123 4.229 4.350 0.004 0.000 0.198 156 E C 1.028 177.597 176.600 -0.052 0.000 1.024 156 E CA 0.522 56.934 56.400 0.020 0.000 0.861 156 E CB 0.428 30.133 29.700 0.008 0.000 0.788 156 E HN 0.451 nan 8.360 nan 0.000 0.521 157 E N 0.225 120.379 120.200 -0.077 0.000 2.371 157 E HA -0.045 4.307 4.350 0.004 0.000 0.194 157 E C 1.410 177.888 176.600 -0.203 0.000 1.012 157 E CA 0.622 56.958 56.400 -0.108 0.000 0.860 157 E CB 0.330 29.980 29.700 -0.083 0.000 0.811 157 E HN 0.079 nan 8.360 nan 0.000 0.502 158 K N -0.539 119.646 120.400 -0.358 0.000 2.387 158 K HA 0.199 4.521 4.320 0.004 0.000 0.197 158 K C 0.319 176.416 176.600 -0.839 0.000 1.127 158 K CA 0.235 56.106 56.287 -0.694 0.000 0.950 158 K CB 0.648 32.493 32.500 -1.091 0.000 1.017 158 K HN -0.007 nan 8.250 nan 0.000 0.519 159 F N -0.132 119.768 119.950 -0.083 0.000 2.532 159 F HA 0.411 4.941 4.527 0.004 0.000 0.321 159 F C 0.132 175.781 175.800 -0.252 0.000 1.089 159 F CA -1.123 56.780 58.000 -0.161 0.000 0.926 159 F CB 2.144 41.110 39.000 -0.057 0.000 1.168 159 F HN -0.379 nan 8.300 nan 0.000 0.459 160 S N 2.015 117.563 115.700 -0.252 0.000 2.774 160 S HA 0.602 5.074 4.470 0.004 0.000 0.297 160 S C -1.238 173.025 174.600 -0.561 0.000 1.143 160 S CA -0.491 57.452 58.200 -0.428 0.000 1.090 160 S CB 0.765 63.559 63.200 -0.676 0.000 1.019 160 S HN 0.406 nan 8.310 nan 0.000 0.482 161 V N 7.161 126.837 119.914 -0.397 0.000 2.383 161 V HA 0.447 4.570 4.120 0.004 0.000 0.275 161 V C -0.249 175.630 176.094 -0.358 0.000 1.036 161 V CA -0.567 61.523 62.300 -0.350 0.000 0.889 161 V CB 0.914 32.642 31.823 -0.159 0.000 0.985 161 V HN 0.778 nan 8.190 nan 0.000 0.459 162 H N 2.202 121.280 119.070 0.013 0.000 2.472 162 H HA 0.458 5.016 4.556 0.004 0.000 0.338 162 H C 0.139 175.480 175.328 0.021 0.000 1.133 162 H CA -0.598 55.469 56.048 0.031 0.000 1.216 162 H CB 1.771 31.567 29.762 0.056 0.000 1.497 162 H HN 0.549 nan 8.280 nan 0.000 0.500 163 S N 0.830 116.615 115.700 0.141 0.000 2.584 163 S HA 0.301 4.773 4.470 0.004 0.000 0.270 163 S C 0.666 175.318 174.600 0.086 0.000 1.346 163 S CA -0.578 57.673 58.200 0.085 0.000 1.018 163 S CB 0.700 63.940 63.200 0.066 0.000 0.899 163 S HN 0.776 nan 8.310 nan 0.000 0.542 164 A N 1.916 124.776 122.820 0.065 0.000 2.466 164 A HA 0.352 4.675 4.320 0.004 0.000 0.238 164 A C 0.079 177.697 177.584 0.056 0.000 1.074 164 A CA -0.378 51.697 52.037 0.063 0.000 0.774 164 A CB -0.188 18.845 19.000 0.054 0.000 1.015 164 A HN 0.574 nan 8.150 nan 0.000 0.498 165 L N 1.574 122.830 121.223 0.055 0.000 2.473 165 L HA 0.244 4.586 4.340 0.004 0.000 0.268 165 L C -1.781 175.115 176.870 0.042 0.000 1.215 165 L CA -1.317 53.549 54.840 0.043 0.000 0.823 165 L CB -0.888 41.197 42.059 0.044 0.000 1.099 165 L HN 0.449 nan 8.230 nan 0.000 0.483 166 P HA -0.041 nan 4.420 nan 0.000 0.264 166 P C -0.756 176.569 177.300 0.043 0.000 1.179 166 P CA 0.063 63.184 63.100 0.035 0.000 0.763 166 P CB 0.228 31.944 31.700 0.026 0.000 0.806 167 Q N 2.150 121.979 119.800 0.048 0.000 2.837 167 Q HA 0.222 4.564 4.340 0.004 0.000 0.235 167 Q C -0.169 175.867 176.000 0.060 0.000 1.348 167 Q CA 0.128 55.966 55.803 0.058 0.000 0.990 167 Q CB -0.226 28.551 28.738 0.065 0.000 1.570 167 Q HN 0.274 nan 8.270 nan 0.000 0.575 168 V N -3.057 116.889 119.914 0.054 0.000 3.087 168 V HA 0.660 4.783 4.120 0.004 0.000 0.306 168 V C 0.831 176.956 176.094 0.051 0.000 1.187 168 V CA -0.550 61.780 62.300 0.051 0.000 0.999 168 V CB 1.453 33.298 31.823 0.038 0.000 1.049 168 V HN 0.330 nan 8.190 nan 0.000 0.431 169 A N 1.840 124.691 122.820 0.052 0.000 1.986 169 A HA -0.141 4.181 4.320 0.004 0.000 0.220 169 A C 1.766 179.373 177.584 0.040 0.000 1.171 169 A CA 2.387 54.454 52.037 0.051 0.000 0.640 169 A CB -0.682 18.347 19.000 0.049 0.000 0.811 169 A HN 1.416 nan 8.150 nan 0.000 0.451 170 L N -1.054 120.186 121.223 0.028 0.000 2.191 170 L HA 0.016 4.359 4.340 0.004 0.000 0.212 170 L C 1.229 178.104 176.870 0.009 0.000 1.103 170 L CA 1.617 56.464 54.840 0.012 0.000 0.769 170 L CB -0.112 41.949 42.059 0.002 0.000 0.908 170 L HN 0.365 nan 8.230 nan 0.000 0.438 171 L N -0.053 121.184 121.223 0.023 0.000 3.141 171 L HA 0.378 4.721 4.340 0.004 0.000 0.267 171 L C 0.773 177.675 176.870 0.053 0.000 1.281 171 L CA -0.411 54.445 54.840 0.027 0.000 1.037 171 L CB -0.163 41.909 42.059 0.021 0.000 1.407 171 L HN 0.175 nan 8.230 nan 0.000 0.566 172 G N 0.195 109.033 108.800 0.063 0.000 2.254 172 G HA2 0.143 4.105 3.960 0.004 0.000 0.253 172 G HA3 0.143 4.105 3.960 0.004 0.000 0.253 172 G C -0.864 174.102 174.900 0.110 0.000 1.246 172 G CA 0.222 45.373 45.100 0.086 0.000 0.946 172 G HN 0.234 nan 8.290 nan 0.000 0.474 173 D N 1.026 121.497 120.400 0.119 0.000 2.757 173 D HA 0.297 4.940 4.640 0.004 0.000 0.249 173 D C 0.463 176.856 176.300 0.154 0.000 1.168 173 D CA -0.626 53.461 54.000 0.145 0.000 0.870 173 D CB 1.426 42.302 40.800 0.127 0.000 1.411 173 D HN 0.255 nan 8.370 nan 0.000 0.525 174 E N 2.324 122.641 120.200 0.194 0.000 2.548 174 E HA 0.307 4.659 4.350 0.004 0.000 0.206 174 E C 1.121 177.795 176.600 0.123 0.000 1.005 174 E CA 0.009 56.530 56.400 0.202 0.000 0.951 174 E CB 0.633 30.567 29.700 0.390 0.000 1.035 174 E HN 0.782 nan 8.360 nan 0.000 0.470 175 G N 1.910 110.782 108.800 0.120 0.000 2.552 175 G HA2 -0.419 3.544 3.960 0.004 0.000 0.265 175 G HA3 -0.419 3.544 3.960 0.004 0.000 0.265 175 G C 1.110 176.037 174.900 0.045 0.000 1.234 175 G CA 0.602 45.744 45.100 0.069 0.000 0.944 175 G HN 0.358 nan 8.290 nan 0.000 0.568 176 A N -0.650 122.169 122.820 -0.001 0.000 1.986 176 A HA 0.161 4.484 4.320 0.004 0.000 0.220 176 A C 3.030 180.645 177.584 0.051 0.000 1.171 176 A CA 3.634 55.678 52.037 0.012 0.000 0.640 176 A CB -1.068 17.934 19.000 0.003 0.000 0.811 176 A HN 2.445 nan 8.150 nan 0.000 0.451 177 A N -0.447 122.380 122.820 0.011 0.000 2.084 177 A HA -0.167 4.155 4.320 0.004 0.000 0.221 177 A C 1.570 179.188 177.584 0.055 0.000 1.161 177 A CA 1.656 53.681 52.037 -0.021 0.000 0.653 177 A CB -0.379 18.484 19.000 -0.228 0.000 0.802 177 A HN 0.560 nan 8.150 nan 0.000 0.457 178 N N -1.300 117.464 118.700 0.107 0.000 2.204 178 N HA 0.068 4.811 4.740 0.004 0.000 0.219 178 N C -0.289 175.281 175.510 0.101 0.000 1.151 178 N CA -0.026 53.106 53.050 0.138 0.000 0.867 178 N CB 0.156 38.771 38.487 0.213 0.000 1.043 178 N HN 0.676 nan 8.380 nan 0.000 0.516 179 H N 0.824 119.841 119.070 -0.089 0.000 2.567 179 H HA 0.412 4.971 4.556 0.004 0.000 0.345 179 H C -0.746 174.499 175.328 -0.139 0.000 1.169 179 H CA -0.115 55.783 56.048 -0.249 0.000 1.227 179 H CB 1.315 30.877 29.762 -0.334 0.000 1.607 179 H HN 0.002 nan 8.280 nan 0.000 0.534 180 N N 1.951 120.234 118.700 -0.694 0.000 2.484 180 N HA 0.214 4.956 4.740 0.004 0.000 0.269 180 N C -1.350 173.890 175.510 -0.450 0.000 1.237 180 N CA -0.675 52.160 53.050 -0.359 0.000 0.838 180 N CB 2.980 41.358 38.487 -0.183 0.000 1.593 180 N HN 0.547 nan 8.380 nan 0.000 0.485 181 R N 1.637 122.047 120.500 -0.151 0.000 2.510 181 R HA 0.496 4.839 4.340 0.004 0.000 0.294 181 R C -1.539 174.782 176.300 0.036 0.000 1.056 181 R CA -0.387 55.676 56.100 -0.062 0.000 0.918 181 R CB 0.979 31.305 30.300 0.043 0.000 1.187 181 R HN 0.503 nan 8.270 nan 0.000 0.437 182 L N 3.410 124.645 121.223 0.020 0.000 2.342 182 L HA 0.901 5.244 4.340 0.004 0.000 0.271 182 L C 0.430 177.332 176.870 0.054 0.000 1.008 182 L CA -0.705 54.173 54.840 0.063 0.000 0.818 182 L CB 2.259 44.362 42.059 0.073 0.000 1.296 182 L HN 0.919 nan 8.230 nan 0.000 0.427 183 G N 0.397 109.230 108.800 0.055 0.000 2.327 183 G HA2 0.376 4.338 3.960 0.004 0.000 0.291 183 G HA3 0.376 4.338 3.960 0.004 0.000 0.291 183 G C -0.285 174.602 174.900 -0.023 0.000 1.290 183 G CA -0.150 44.969 45.100 0.031 0.000 0.857 183 G HN 0.800 nan 8.290 nan 0.000 0.520 184 G N -1.017 107.759 108.800 -0.041 0.000 2.948 184 G HA2 0.397 4.360 3.960 0.004 0.000 0.174 184 G HA3 0.397 4.360 3.960 0.004 0.000 0.174 184 G C 0.235 174.997 174.900 -0.230 0.000 1.839 184 G CA 0.268 45.273 45.100 -0.158 0.000 0.908 184 G HN 0.816 nan 8.290 nan 0.000 0.419 185 H N -1.070 117.981 119.070 -0.030 0.000 2.629 185 H HA 0.256 4.815 4.556 0.004 0.000 0.357 185 H C 0.983 176.333 175.328 0.037 0.000 1.121 185 H CA -0.060 55.965 56.048 -0.039 0.000 1.406 185 H CB 0.904 30.689 29.762 0.038 0.000 1.456 185 H HN 0.423 nan 8.280 nan 0.000 0.579 186 Y N 1.373 121.814 120.300 0.236 0.000 2.139 186 Y HA -0.272 4.281 4.550 0.004 0.000 0.282 186 Y C 2.628 178.629 175.900 0.168 0.000 1.179 186 Y CA 0.884 59.098 58.100 0.190 0.000 1.161 186 Y CB -0.223 38.367 38.460 0.217 0.000 0.970 186 Y HN 0.861 nan 8.280 nan 0.000 0.511 187 G N -0.334 108.669 108.800 0.338 0.000 2.559 187 G HA2 -0.082 3.880 3.960 0.004 0.000 0.216 187 G HA3 -0.082 3.880 3.960 0.004 0.000 0.216 187 G C 0.248 175.244 174.900 0.159 0.000 1.126 187 G CA 0.125 45.350 45.100 0.209 0.000 0.778 187 G HN 0.342 nan 8.290 nan 0.000 0.543 188 E N 1.006 121.312 120.200 0.175 0.000 2.318 188 E HA 0.238 4.591 4.350 0.004 0.000 0.265 188 E C -2.293 174.377 176.600 0.116 0.000 1.069 188 E CA -2.153 54.326 56.400 0.132 0.000 0.893 188 E CB 0.894 30.680 29.700 0.143 0.000 1.076 188 E HN 0.019 nan 8.360 nan 0.000 0.414 189 P HA -0.034 nan 4.420 nan 0.000 0.263 189 P C -0.448 176.896 177.300 0.075 0.000 1.195 189 P CA 0.231 63.377 63.100 0.077 0.000 0.762 189 P CB 0.675 32.410 31.700 0.058 0.000 0.799 193 L N 2.954 123.987 121.223 -0.316 0.000 2.316 193 L HA 0.613 4.956 4.340 0.004 0.000 0.280 193 L C -1.834 174.901 176.870 -0.225 0.000 1.006 193 L CA -0.053 54.654 54.840 -0.221 0.000 0.836 193 L CB 0.598 42.526 42.059 -0.220 0.000 1.221 193 L HN 0.433 nan 8.230 nan 0.000 0.418 194 F N 4.870 124.695 119.950 -0.207 0.000 2.405 194 F HA 0.533 5.062 4.527 0.004 0.000 0.355 194 F C 0.121 176.018 175.800 0.162 0.000 1.121 194 F CA -0.490 57.533 58.000 0.040 0.000 1.112 194 F CB 1.623 40.689 39.000 0.110 0.000 1.126 194 F HN 0.137 nan 8.300 nan 0.000 0.481 195 V N 5.213 125.309 119.914 0.304 0.000 2.435 195 V HA 0.414 4.536 4.120 0.004 0.000 0.290 195 V C -0.623 175.639 176.094 0.279 0.000 1.030 195 V CA -0.888 61.541 62.300 0.216 0.000 0.881 195 V CB 0.888 32.819 31.823 0.180 0.000 0.983 195 V HN 0.619 nan 8.190 nan 0.000 0.445 196 Y N 1.581 122.017 120.300 0.227 0.000 2.602 196 Y HA 0.869 5.422 4.550 0.005 0.000 0.342 196 Y C 0.891 176.862 175.900 0.119 0.000 1.029 196 Y CA -0.806 57.401 58.100 0.178 0.000 1.080 196 Y CB 1.762 40.329 38.460 0.178 0.000 1.284 196 Y HN 0.492 nan 8.280 nan 0.000 0.485 197 G N 0.354 109.329 108.800 0.293 0.000 2.762 197 G HA2 0.260 4.223 3.960 0.004 0.000 0.209 197 G HA3 0.260 4.223 3.960 0.004 0.000 0.209 197 G C -0.053 174.990 174.900 0.238 0.000 1.134 197 G CA -0.189 45.010 45.100 0.165 0.000 0.781 197 G HN 0.780 nan 8.290 nan 0.000 0.528 198 R N 0.012 120.722 120.500 0.349 0.000 2.710 198 R HA 0.614 4.957 4.340 0.004 0.000 0.270 198 R C -1.787 174.589 176.300 0.127 0.000 1.021 198 R CA -0.853 55.387 56.100 0.233 0.000 0.889 198 R CB 1.081 31.453 30.300 0.120 0.000 1.243 198 R HN 0.214 nan 8.270 nan 0.000 0.464 199 E N 1.079 121.303 120.200 0.040 0.000 2.372 199 E HA 0.254 4.607 4.350 0.004 0.000 0.279 199 E C -1.139 175.433 176.600 -0.047 0.000 0.946 199 E CA -1.132 55.208 56.400 -0.101 0.000 0.769 199 E CB 1.833 31.388 29.700 -0.241 0.000 1.230 199 E HN 0.463 nan 8.360 nan 0.000 0.442 200 E N 0.706 120.865 120.200 -0.068 0.000 2.414 200 E HA 0.199 4.552 4.350 0.004 0.000 0.263 200 E C 0.980 177.559 176.600 -0.035 0.000 1.000 200 E CA 1.500 57.875 56.400 -0.042 0.000 0.914 200 E CB 1.042 30.712 29.700 -0.050 0.000 0.948 200 E HN 0.936 nan 8.360 nan 0.000 0.444 201 G N 3.567 112.357 108.800 -0.017 0.000 2.284 201 G HA2 -0.325 3.638 3.960 0.004 0.000 0.247 201 G HA3 -0.325 3.638 3.960 0.004 0.000 0.247 201 G C 0.476 175.376 174.900 0.000 0.000 1.012 201 G CA 0.362 45.455 45.100 -0.012 0.000 0.618 201 G HN 0.527 nan 8.290 nan 0.000 0.521 202 N N 2.037 120.742 118.700 0.008 0.000 2.406 202 N HA 0.346 5.088 4.740 0.004 0.000 0.251 202 N C 1.329 176.858 175.510 0.031 0.000 1.069 202 N CA 0.267 53.334 53.050 0.029 0.000 0.947 202 N CB 0.674 39.195 38.487 0.057 0.000 1.111 202 N HN 0.410 nan 8.380 nan 0.000 0.497 203 D N 1.344 121.759 120.400 0.024 0.000 2.350 203 D HA -0.104 4.538 4.640 0.004 0.000 0.216 203 D C -0.515 175.799 176.300 0.024 0.000 0.968 203 D CA 0.515 54.527 54.000 0.020 0.000 0.894 203 D CB -0.183 40.624 40.800 0.013 0.000 0.909 203 D HN 0.319 nan 8.370 nan 0.000 0.520 204 T N 2.247 116.822 114.554 0.035 0.000 2.738 204 T HA 0.334 4.687 4.350 0.004 0.000 0.294 204 T C 0.310 175.039 174.700 0.048 0.000 0.914 204 T CA -0.478 61.643 62.100 0.035 0.000 1.052 204 T CB 0.489 69.381 68.868 0.040 0.000 0.897 204 T HN 0.345 nan 8.240 nan 0.000 0.522 205 R N 2.053 122.573 120.500 0.034 0.000 2.709 205 R HA 0.459 4.802 4.340 0.004 0.000 0.270 205 R C -3.574 172.739 176.300 0.023 0.000 1.038 205 R CA -2.101 54.024 56.100 0.042 0.000 0.872 205 R CB -0.125 30.207 30.300 0.053 0.000 1.259 205 R HN 0.185 nan 8.270 nan 0.000 0.473 206 P HA 0.071 nan 4.420 nan 0.000 0.266 206 P C -0.278 177.024 177.300 0.003 0.000 1.193 206 P CA 0.027 63.137 63.100 0.016 0.000 0.770 206 P CB 0.617 32.346 31.700 0.048 0.000 0.836 207 S N 1.155 116.838 115.700 -0.028 0.000 2.666 207 S HA 0.165 4.638 4.470 0.004 0.000 0.239 207 S C 1.163 175.717 174.600 -0.076 0.000 1.031 207 S CA -0.281 57.896 58.200 -0.039 0.000 1.015 207 S CB 0.223 63.397 63.200 -0.042 0.000 0.981 207 S HN 0.393 nan 8.310 nan 0.000 0.547 208 R N 0.143 120.568 120.500 -0.125 0.000 2.444 208 R HA 0.300 4.643 4.340 0.004 0.000 0.201 208 R C -0.932 175.243 176.300 -0.207 0.000 0.861 208 R CA 0.415 56.362 56.100 -0.255 0.000 1.034 208 R CB 0.548 30.568 30.300 -0.467 0.000 1.347 208 R HN 0.389 nan 8.270 nan 0.000 0.659 209 Y N 2.304 122.597 120.300 -0.012 0.000 2.426 209 Y HA 0.399 4.951 4.550 0.004 0.000 0.325 209 Y C -2.127 173.770 175.900 -0.005 0.000 0.989 209 Y CA -2.496 55.597 58.100 -0.011 0.000 1.284 209 Y CB 1.800 40.255 38.460 -0.007 0.000 1.104 209 Y HN -0.032 nan 8.280 nan 0.000 0.481 210 P HA -0.104 nan 4.420 nan 0.000 0.264 210 P C -0.507 176.843 177.300 0.082 0.000 1.179 210 P CA 0.243 63.399 63.100 0.092 0.000 0.763 210 P CB 0.699 32.443 31.700 0.074 0.000 0.806 211 A N 3.900 126.765 122.820 0.074 0.000 2.404 211 A HA 0.117 4.439 4.320 0.004 0.000 0.273 211 A C 1.240 178.866 177.584 0.071 0.000 1.144 211 A CA -0.254 51.827 52.037 0.072 0.000 0.806 211 A CB -0.050 19.005 19.000 0.091 0.000 1.080 211 A HN 0.520 nan 8.150 nan 0.000 0.509 212 R N 0.823 121.355 120.500 0.054 0.000 2.193 212 R HA -0.026 4.317 4.340 0.004 0.000 0.213 212 R C 0.377 176.746 176.300 0.115 0.000 1.055 212 R CA 0.711 56.854 56.100 0.071 0.000 0.995 212 R CB 0.092 30.422 30.300 0.049 0.000 0.893 212 R HN 0.779 nan 8.270 nan 0.000 0.459 213 Q N 1.442 121.324 119.800 0.138 0.000 2.307 213 Q HA 0.137 4.480 4.340 0.004 0.000 0.262 213 Q C -0.926 175.192 176.000 0.196 0.000 0.961 213 Q CA -0.393 55.522 55.803 0.188 0.000 0.882 213 Q CB 1.696 30.580 28.738 0.242 0.000 1.264 213 Q HN 0.089 nan 8.270 nan 0.000 0.446 214 T N 0.173 114.814 114.554 0.145 0.000 2.918 214 T HA 0.404 4.756 4.350 0.004 0.000 0.286 214 T C 0.704 175.391 174.700 -0.021 0.000 1.026 214 T CA -0.800 61.340 62.100 0.067 0.000 1.031 214 T CB 1.563 70.437 68.868 0.011 0.000 1.046 214 T HN 0.794 nan 8.240 nan 0.000 0.479 215 R N 0.574 120.880 120.500 -0.323 0.000 2.096 215 R HA -0.106 4.237 4.340 0.004 0.000 0.235 215 R C 1.734 177.811 176.300 -0.372 0.000 1.127 215 R CA 1.709 57.436 56.100 -0.622 0.000 0.968 215 R CB -0.324 29.224 30.300 -1.254 0.000 0.861 215 R HN 0.792 nan 8.270 nan 0.000 0.440 216 E N 0.404 120.444 120.200 -0.267 0.000 2.085 216 E HA -0.181 4.172 4.350 0.004 0.000 0.194 216 E C 1.815 178.336 176.600 -0.131 0.000 0.994 216 E CA 1.665 57.945 56.400 -0.199 0.000 0.801 216 E CB -0.254 29.368 29.700 -0.131 0.000 0.743 216 E HN 0.499 nan 8.360 nan 0.000 0.453 217 A N 0.364 123.150 122.820 -0.056 0.000 1.855 217 A HA -0.178 4.144 4.320 0.004 0.000 0.215 217 A C 2.349 179.965 177.584 0.053 0.000 1.191 217 A CA 1.786 53.834 52.037 0.017 0.000 0.613 217 A CB -0.726 18.318 19.000 0.074 0.000 0.829 217 A HN 0.214 nan 8.150 nan 0.000 0.442 218 S N 0.081 115.845 115.700 0.107 0.000 2.374 218 S HA -0.205 4.268 4.470 0.004 0.000 0.227 218 S C 1.810 176.409 174.600 -0.001 0.000 1.037 218 S CA 1.646 59.995 58.200 0.247 0.000 1.024 218 S CB -0.404 63.095 63.200 0.497 0.000 0.861 218 S HN 0.686 nan 8.310 nan 0.000 0.456 219 E N 1.130 121.181 120.200 -0.248 0.000 2.150 219 E HA -0.070 4.283 4.350 0.004 0.000 0.193 219 E C 2.340 178.834 176.600 -0.177 0.000 0.985 219 E CA 0.939 57.106 56.400 -0.388 0.000 0.814 219 E CB -0.232 29.106 29.700 -0.604 0.000 0.752 219 E HN 0.539 nan 8.360 nan 0.000 0.466 220 A N 1.020 123.768 122.820 -0.120 0.000 1.929 220 A HA -0.092 4.231 4.320 0.004 0.000 0.216 220 A C 2.489 180.048 177.584 -0.041 0.000 1.176 220 A CA 0.814 52.807 52.037 -0.074 0.000 0.628 220 A CB -0.448 18.522 19.000 -0.050 0.000 0.816 220 A HN 0.090 nan 8.150 nan 0.000 0.444 221 V N -0.012 119.909 119.914 0.012 0.000 2.358 221 V HA -0.236 3.887 4.120 0.004 0.000 0.246 221 V C 3.051 179.178 176.094 0.055 0.000 1.047 221 V CA 1.799 64.149 62.300 0.083 0.000 1.035 221 V CB -1.218 30.751 31.823 0.243 0.000 0.658 221 V HN 0.599 nan 8.190 nan 0.000 0.452 222 A N -0.078 122.700 122.820 -0.071 0.000 1.908 222 A HA -0.292 4.031 4.320 0.004 0.000 0.218 222 A C 2.401 179.960 177.584 -0.043 0.000 1.181 222 A CA 2.284 54.260 52.037 -0.102 0.000 0.627 222 A CB -0.560 18.309 19.000 -0.218 0.000 0.818 222 A HN 0.494 nan 8.150 nan 0.000 0.445 223 R N -0.594 119.866 120.500 -0.066 0.000 2.062 223 R HA -0.032 4.311 4.340 0.004 0.000 0.231 223 R C 2.098 178.319 176.300 -0.131 0.000 1.136 223 R CA 1.543 57.593 56.100 -0.084 0.000 0.948 223 R CB -0.423 29.826 30.300 -0.086 0.000 0.845 223 R HN 0.519 nan 8.270 nan 0.000 0.430 224 L N 0.882 122.013 121.223 -0.155 0.000 2.079 224 L HA -0.196 4.147 4.340 0.004 0.000 0.210 224 L C 1.417 178.076 176.870 -0.352 0.000 1.081 224 L CA 1.074 55.718 54.840 -0.326 0.000 0.752 224 L CB -0.367 41.516 42.059 -0.293 0.000 0.896 224 L HN 0.236 nan 8.230 nan 0.000 0.433 225 N N 0.408 119.041 118.700 -0.112 0.000 2.434 225 N HA -0.043 4.699 4.740 0.004 0.000 0.196 225 N C -0.086 175.250 175.510 -0.290 0.000 1.183 225 N CA 0.154 53.176 53.050 -0.048 0.000 0.849 225 N CB 0.057 38.614 38.487 0.117 0.000 0.992 225 N HN 0.276 nan 8.380 nan 0.000 0.460 226 Q N -0.842 118.787 119.800 -0.285 0.000 2.435 226 Q HA -0.159 4.183 4.340 0.004 0.000 0.312 226 Q C -0.768 175.155 176.000 -0.128 0.000 1.333 226 Q CA 0.226 55.885 55.803 -0.241 0.000 0.883 226 Q CB -1.888 26.624 28.738 -0.376 0.000 1.170 226 Q HN 0.092 nan 8.270 nan 0.000 0.443 227 V N 0.811 120.695 119.914 -0.051 0.000 2.555 227 V HA 0.049 4.171 4.120 0.004 0.000 0.286 227 V C 0.915 177.015 176.094 0.010 0.000 1.044 227 V CA -0.131 62.179 62.300 0.017 0.000 1.026 227 V CB 1.237 33.113 31.823 0.088 0.000 0.981 227 V HN 0.407 nan 8.190 nan 0.000 0.480 228 N N 5.548 124.260 118.700 0.019 0.000 2.411 228 N HA 0.022 4.764 4.740 0.004 0.000 0.265 228 N C -1.615 173.905 175.510 0.017 0.000 1.266 228 N CA -1.064 51.995 53.050 0.015 0.000 0.889 228 N CB 1.009 39.508 38.487 0.020 0.000 1.069 228 N HN 0.392 nan 8.380 nan 0.000 0.476 229 P HA -0.204 nan 4.420 nan 0.000 0.217 229 P C 0.341 177.652 177.300 0.019 0.000 1.148 229 P CA 1.456 64.569 63.100 0.022 0.000 0.834 229 P CB 0.177 31.887 31.700 0.017 0.000 0.783 230 Q N -1.399 118.408 119.800 0.012 0.000 2.403 230 Q HA 0.016 4.359 4.340 0.004 0.000 0.203 230 Q C 1.137 177.136 176.000 -0.001 0.000 0.932 230 Q CA 0.508 56.314 55.803 0.005 0.000 0.945 230 Q CB 0.026 28.767 28.738 0.005 0.000 1.045 230 Q HN 0.453 nan 8.270 nan 0.000 0.511 231 Q N 0.490 120.293 119.800 0.005 0.000 2.186 231 Q HA 0.154 4.497 4.340 0.004 0.000 0.241 231 Q C -0.700 175.299 176.000 -0.003 0.000 0.849 231 Q CA -0.228 55.578 55.803 0.004 0.000 1.053 231 Q CB 1.192 29.945 28.738 0.026 0.000 1.146 231 Q HN 0.075 nan 8.270 nan 0.000 0.475 232 V N -2.726 117.168 119.914 -0.033 0.000 2.841 232 V HA 0.701 4.824 4.120 0.004 0.000 0.310 232 V C -0.773 175.212 176.094 -0.181 0.000 1.090 232 V CA -0.947 61.289 62.300 -0.107 0.000 0.930 232 V CB 2.231 33.954 31.823 -0.166 0.000 1.014 232 V HN 0.074 nan 8.190 nan 0.000 0.425 233 I N 3.798 124.202 120.570 -0.276 0.000 2.569 233 I HA 0.547 4.720 4.170 0.004 0.000 0.290 233 I C -1.404 174.534 176.117 -0.299 0.000 1.088 233 I CA -0.254 60.924 61.300 -0.204 0.000 1.047 233 I CB 2.391 40.310 38.000 -0.136 0.000 1.237 233 I HN 0.586 nan 8.210 nan 0.000 0.421 234 F N 4.717 124.739 119.950 0.120 0.000 2.427 234 F HA 0.735 5.266 4.527 0.005 0.000 0.346 234 F C 0.435 176.349 175.800 0.190 0.000 1.120 234 F CA -0.521 57.617 58.000 0.230 0.000 1.033 234 F CB 1.785 40.934 39.000 0.248 0.000 1.126 234 F HN 0.397 nan 8.300 nan 0.000 0.462 235 A N 3.403 126.359 122.820 0.226 0.000 2.386 235 A HA 0.572 4.895 4.320 0.004 0.000 0.311 235 A C -1.041 176.316 177.584 -0.378 0.000 1.068 235 A CA -0.768 51.261 52.037 -0.013 0.000 0.743 235 A CB 1.565 20.507 19.000 -0.097 0.000 1.258 235 A HN 0.710 nan 8.150 nan 0.000 0.429 236 Q N 1.162 120.661 119.800 -0.502 0.000 2.261 236 Q HA 0.354 4.697 4.340 0.004 0.000 0.252 236 Q C -0.195 175.659 176.000 -0.244 0.000 0.915 236 Q CA -0.429 54.907 55.803 -0.778 0.000 0.915 236 Q CB 0.900 29.381 28.738 -0.430 0.000 1.204 236 Q HN 0.776 nan 8.270 nan 0.000 0.421 237 Q N 2.231 121.896 119.800 -0.224 0.000 2.394 237 Q HA 0.040 4.382 4.340 0.004 0.000 0.248 237 Q C -0.643 175.275 176.000 -0.137 0.000 0.992 237 Q CA -0.061 55.651 55.803 -0.152 0.000 0.888 237 Q CB 0.637 29.283 28.738 -0.152 0.000 1.257 237 Q HN 0.572 nan 8.270 nan 0.000 0.462 238 N N 4.036 122.627 118.700 -0.181 0.000 2.438 238 N HA 0.051 4.794 4.740 0.004 0.000 0.267 238 N C -1.962 173.480 175.510 -0.114 0.000 1.222 238 N CA -1.389 51.580 53.050 -0.135 0.000 0.930 238 N CB 0.867 39.249 38.487 -0.175 0.000 1.083 238 N HN 0.415 nan 8.380 nan 0.000 0.476 239 P HA -0.133 nan 4.420 nan 0.000 0.219 239 P C 0.031 177.298 177.300 -0.055 0.000 1.146 239 P CA 1.183 64.257 63.100 -0.044 0.000 0.808 239 P CB 0.393 32.081 31.700 -0.020 0.000 0.779 240 D N -0.309 120.048 120.400 -0.072 0.000 2.224 240 D HA -0.065 4.578 4.640 0.004 0.000 0.205 240 D C 2.046 178.288 176.300 -0.097 0.000 0.965 240 D CA 0.608 54.561 54.000 -0.078 0.000 0.852 240 D CB -0.487 40.266 40.800 -0.078 0.000 0.947 240 D HN 0.059 nan 8.370 nan 0.000 0.494 241 V N 1.077 120.909 119.914 -0.136 0.000 2.591 241 V HA -0.117 4.006 4.120 0.004 0.000 0.249 241 V C 2.317 178.346 176.094 -0.108 0.000 1.053 241 V CA 0.682 62.876 62.300 -0.177 0.000 1.068 241 V CB -0.075 31.576 31.823 -0.288 0.000 0.689 241 V HN 0.110 nan 8.190 nan 0.000 0.462 242 I N 0.010 120.538 120.570 -0.069 0.000 2.252 242 I HA -0.190 3.983 4.170 0.004 0.000 0.245 242 I C 1.941 178.154 176.117 0.159 0.000 1.102 242 I CA 1.560 62.870 61.300 0.016 0.000 1.385 242 I CB -0.485 37.525 38.000 0.017 0.000 1.064 242 I HN 0.297 nan 8.210 nan 0.000 0.414 243 D N 0.547 120.989 120.400 0.070 0.000 2.378 243 D HA -0.146 4.497 4.640 0.004 0.000 0.222 243 D C 1.803 178.123 176.300 0.033 0.000 0.980 243 D CA 0.897 54.895 54.000 -0.005 0.000 0.907 243 D CB -0.088 40.638 40.800 -0.123 0.000 0.899 243 D HN 0.476 nan 8.370 nan 0.000 0.527 244 Q N -1.217 118.642 119.800 0.099 0.000 2.282 244 Q HA 0.317 4.659 4.340 0.004 0.000 0.206 244 Q C 1.008 177.112 176.000 0.174 0.000 0.878 244 Q CA 0.313 56.172 55.803 0.094 0.000 0.944 244 Q CB 1.231 29.957 28.738 -0.020 0.000 1.100 244 Q HN 0.259 nan 8.270 nan 0.000 0.509 245 G N -0.076 108.871 108.800 0.245 0.000 2.227 245 G HA2 -0.178 3.784 3.960 0.004 0.000 0.168 245 G HA3 -0.178 3.784 3.960 0.004 0.000 0.168 245 G C 0.018 174.945 174.900 0.044 0.000 1.006 245 G CA -0.501 44.685 45.100 0.143 0.000 0.684 245 G HN 0.139 nan 8.290 nan 0.000 0.489 246 V N 3.602 123.477 119.914 -0.065 0.000 2.223 246 V HA 0.339 4.461 4.120 0.004 0.000 0.249 246 V C 1.422 177.394 176.094 -0.202 0.000 1.233 246 V CA 0.361 62.508 62.300 -0.255 0.000 1.131 246 V CB -1.181 30.475 31.823 -0.278 0.000 1.298 246 V HN 0.463 nan 8.190 nan 0.000 0.498 247 F N 0.915 120.735 119.950 -0.216 0.000 2.780 247 F HA 0.329 4.859 4.527 0.004 0.000 0.299 247 F C 0.813 176.290 175.800 -0.538 0.000 1.146 247 F CA -0.266 57.529 58.000 -0.343 0.000 1.428 247 F CB -0.428 38.334 39.000 -0.397 0.000 1.115 247 F HN 0.425 nan 8.300 nan 0.000 0.583 248 H N -1.403 117.480 119.070 -0.312 0.000 3.012 248 H HA 0.224 4.782 4.556 0.004 0.000 0.367 248 H C 0.276 175.464 175.328 -0.234 0.000 1.211 248 H CA -0.818 55.119 56.048 -0.184 0.000 1.139 248 H CB 1.098 30.758 29.762 -0.170 0.000 1.838 248 H HN -0.195 nan 8.280 nan 0.000 0.550 249 N N 0.783 119.485 118.700 0.004 0.000 2.223 249 N HA -0.172 4.570 4.740 0.004 0.000 0.185 249 N C 0.985 176.437 175.510 -0.097 0.000 1.016 249 N CA 1.594 54.599 53.050 -0.074 0.000 0.863 249 N CB 0.087 38.589 38.487 0.024 0.000 0.983 249 N HN 0.712 nan 8.380 nan 0.000 0.429 250 D N -0.616 119.753 120.400 -0.052 0.000 2.348 250 D HA -0.073 4.569 4.640 0.004 0.000 0.248 250 D C 1.072 177.301 176.300 -0.119 0.000 1.142 250 D CA 0.108 54.082 54.000 -0.042 0.000 0.904 250 D CB -0.158 40.637 40.800 -0.009 0.000 0.901 250 D HN 0.201 nan 8.370 nan 0.000 0.523 251 V N -0.843 118.923 119.914 -0.247 0.000 3.477 251 V HA 0.304 4.427 4.120 0.004 0.000 0.297 251 V C 0.763 176.681 176.094 -0.293 0.000 1.433 251 V CA -0.069 62.001 62.300 -0.384 0.000 1.052 251 V CB 0.127 31.549 31.823 -0.668 0.000 0.895 251 V HN 0.145 nan 8.190 nan 0.000 0.438 252 I N 0.532 120.895 120.570 -0.344 0.000 4.557 252 I HA 0.755 4.927 4.170 0.004 0.000 0.333 252 I C 0.253 175.767 176.117 -1.005 0.000 1.332 252 I CA 0.500 61.389 61.300 -0.685 0.000 1.240 252 I CB 1.145 38.756 38.000 -0.649 0.000 1.312 252 I HN 0.269 nan 8.210 nan 0.000 0.457 253 A N -0.423 122.170 122.820 -0.378 0.000 2.599 253 A HA 0.769 5.092 4.320 0.004 0.000 0.294 253 A C -1.901 175.781 177.584 0.163 0.000 1.055 253 A CA -0.375 51.599 52.037 -0.105 0.000 0.683 253 A CB 1.427 20.380 19.000 -0.078 0.000 1.278 253 A HN 0.076 nan 8.150 nan 0.000 0.412 254 V N 1.260 121.349 119.914 0.291 0.000 2.932 254 V HA 0.832 4.955 4.120 0.004 0.000 0.307 254 V C -0.341 175.916 176.094 0.272 0.000 1.147 254 V CA 0.385 62.844 62.300 0.266 0.000 0.951 254 V CB 2.357 34.360 31.823 0.299 0.000 1.031 254 V HN 2.053 nan 8.190 nan 0.000 0.426 255 S N 4.222 120.041 115.700 0.198 0.000 2.648 255 S HA 0.849 5.321 4.470 0.004 0.000 0.305 255 S C -0.798 173.903 174.600 0.168 0.000 1.094 255 S CA -0.646 57.663 58.200 0.181 0.000 0.983 255 S CB 1.894 65.173 63.200 0.133 0.000 1.101 255 S HN 1.269 nan 8.310 nan 0.000 0.514 256 N N 0.165 118.958 118.700 0.155 0.000 2.999 256 N HA 0.289 5.031 4.740 0.004 0.000 0.244 256 N C -0.060 175.501 175.510 0.085 0.000 1.106 256 N CA -0.295 52.851 53.050 0.160 0.000 1.018 256 N CB 0.668 39.247 38.487 0.154 0.000 1.600 256 N HN 0.763 nan 8.380 nan 0.000 0.621 257 R N 0.668 121.199 120.500 0.051 0.000 3.943 257 R HA -0.234 4.109 4.340 0.004 0.000 0.368 257 R C 0.696 176.999 176.300 0.006 0.000 0.242 257 R CA 1.880 57.935 56.100 -0.074 0.000 1.197 257 R CB -1.558 28.632 30.300 -0.183 0.000 0.990 257 R HN 0.849 nan 8.270 nan 0.000 0.565 258 Q N 2.114 121.904 119.800 -0.017 0.000 2.319 258 Q HA 0.215 4.558 4.340 0.004 0.000 0.202 258 Q C 0.333 176.334 176.000 0.001 0.000 0.896 258 Q CA 0.448 56.273 55.803 0.037 0.000 0.942 258 Q CB 0.540 29.270 28.738 -0.013 0.000 1.083 258 Q HN 0.302 nan 8.270 nan 0.000 0.510 259 V N 2.151 122.064 119.914 -0.002 0.000 2.472 259 V HA 0.391 4.513 4.120 0.004 0.000 0.290 259 V C -0.646 175.505 176.094 0.096 0.000 1.037 259 V CA -0.934 61.346 62.300 -0.034 0.000 0.908 259 V CB 1.575 33.385 31.823 -0.022 0.000 0.985 259 V HN 0.315 nan 8.190 nan 0.000 0.454 260 L N 5.685 126.971 121.223 0.105 0.000 2.388 260 L HA 0.554 4.896 4.340 0.004 0.000 0.267 260 L C -1.085 175.977 176.870 0.320 0.000 0.995 260 L CA -0.256 54.738 54.840 0.257 0.000 0.864 260 L CB 1.053 43.337 42.059 0.374 0.000 1.216 260 L HN 0.539 nan 8.230 nan 0.000 0.430 261 F N 6.684 126.752 119.950 0.196 0.000 2.404 261 F HA 0.596 5.125 4.527 0.004 0.000 0.359 261 F C 0.070 176.148 175.800 0.464 0.000 1.134 261 F CA -1.019 57.148 58.000 0.277 0.000 1.160 261 F CB 0.058 39.189 39.000 0.218 0.000 1.186 261 F HN 0.725 nan 8.300 nan 0.000 0.526 262 C N 4.852 124.272 119.300 0.199 0.000 3.171 262 C HA 0.542 5.004 4.460 0.004 0.000 0.308 262 C C -0.371 174.441 174.990 -0.297 0.000 1.334 262 C CA -0.909 58.019 59.018 -0.150 0.000 1.473 262 C CB 1.566 29.345 27.740 0.066 0.000 1.866 262 C HN 0.835 nan 8.230 nan 0.000 0.465 263 H N 1.144 119.676 119.070 -0.896 0.000 2.551 263 H HA 0.226 4.785 4.556 0.005 0.000 0.358 263 H C 1.190 176.346 175.328 -0.286 0.000 1.151 263 H CA 0.969 56.691 56.048 -0.543 0.000 1.374 263 H CB 1.644 30.968 29.762 -0.729 0.000 1.473 263 H HN 0.955 nan 8.280 nan 0.000 0.574 264 Q N 2.112 121.964 119.800 0.087 0.000 2.226 264 Q HA -0.144 4.198 4.340 0.004 0.000 0.204 264 Q C 0.468 176.536 176.000 0.113 0.000 0.975 264 Q CA 1.432 57.299 55.803 0.107 0.000 0.866 264 Q CB -0.005 28.762 28.738 0.049 0.000 0.915 264 Q HN 0.663 nan 8.270 nan 0.000 0.440 265 Q N -0.065 119.829 119.800 0.156 0.000 2.212 265 Q HA 0.316 4.659 4.340 0.004 0.000 0.213 265 Q C 1.318 177.128 176.000 -0.317 0.000 0.874 265 Q CA 0.188 55.911 55.803 -0.134 0.000 0.965 265 Q CB 0.599 29.183 28.738 -0.256 0.000 1.074 265 Q HN 0.482 nan 8.270 nan 0.000 0.473 266 A N 0.770 123.356 122.820 -0.392 0.000 1.854 266 A HA 0.008 4.331 4.320 0.004 0.000 0.214 266 A C 0.409 177.435 177.584 -0.929 0.000 1.192 266 A CA 0.924 52.487 52.037 -0.790 0.000 0.611 266 A CB 0.062 18.404 19.000 -1.096 0.000 0.832 266 A HN 0.282 nan 8.150 nan 0.000 0.442 267 F N -2.661 117.216 119.950 -0.121 0.000 2.492 267 F HA 0.613 5.143 4.527 0.004 0.000 0.327 267 F C 1.358 177.107 175.800 -0.086 0.000 1.079 267 F CA -0.451 57.484 58.000 -0.108 0.000 0.967 267 F CB 1.497 40.443 39.000 -0.090 0.000 1.169 267 F HN 0.153 nan 8.300 nan 0.000 0.472 268 A N 2.264 125.131 122.820 0.078 0.000 1.859 268 A HA -0.135 4.188 4.320 0.004 0.000 0.217 268 A C 1.547 179.161 177.584 0.050 0.000 1.198 268 A CA 1.444 53.499 52.037 0.030 0.000 0.629 268 A CB -0.392 18.614 19.000 0.010 0.000 0.830 268 A HN 0.758 nan 8.150 nan 0.000 0.446 269 R N -0.743 119.797 120.500 0.066 0.000 3.472 269 R HA 0.242 4.585 4.340 0.004 0.000 0.322 269 R C 1.102 177.435 176.300 0.055 0.000 1.330 269 R CA -0.072 56.056 56.100 0.047 0.000 1.387 269 R CB 0.164 30.482 30.300 0.029 0.000 1.446 269 R HN 0.717 nan 8.270 nan 0.000 0.628 270 Q N 0.253 120.115 119.800 0.103 0.000 2.029 270 Q HA -0.280 4.062 4.340 0.004 0.000 0.209 270 Q C 1.926 177.960 176.000 0.057 0.000 0.999 270 Q CA 2.585 58.463 55.803 0.126 0.000 0.857 270 Q CB -0.057 28.788 28.738 0.179 0.000 0.926 270 Q HN 0.374 nan 8.270 nan 0.000 0.415 271 S N -0.583 115.148 115.700 0.052 0.000 2.368 271 S HA -0.300 4.173 4.470 0.004 0.000 0.226 271 S C 1.912 176.521 174.600 0.016 0.000 1.044 271 S CA 1.958 60.182 58.200 0.039 0.000 1.062 271 S CB -0.264 62.956 63.200 0.035 0.000 0.931 271 S HN 0.493 nan 8.310 nan 0.000 0.440 272 Q N -0.319 119.484 119.800 0.005 0.000 2.084 272 Q HA -0.122 4.220 4.340 0.004 0.000 0.202 272 Q C 2.267 178.237 176.000 -0.049 0.000 0.978 272 Q CA 1.633 57.428 55.803 -0.014 0.000 0.844 272 Q CB -0.329 28.405 28.738 -0.007 0.000 0.898 272 Q HN 0.543 nan 8.270 nan 0.000 0.426 273 L N 0.665 121.842 121.223 -0.075 0.000 1.994 273 L HA -0.194 4.149 4.340 0.004 0.000 0.208 273 L C 1.979 178.734 176.870 -0.191 0.000 1.071 273 L CA 1.683 56.425 54.840 -0.163 0.000 0.745 273 L CB -0.573 41.323 42.059 -0.271 0.000 0.892 273 L HN 0.201 nan 8.230 nan 0.000 0.431 274 L N -0.547 120.608 121.223 -0.113 0.000 2.042 274 L HA -0.214 4.129 4.340 0.004 0.000 0.210 274 L C 2.710 179.547 176.870 -0.055 0.000 1.076 274 L CA 1.292 56.106 54.840 -0.044 0.000 0.749 274 L CB -1.089 41.044 42.059 0.123 0.000 0.893 274 L HN 0.424 nan 8.230 nan 0.000 0.432 275 A N 0.346 123.151 122.820 -0.025 0.000 1.908 275 A HA -0.271 4.051 4.320 0.004 0.000 0.218 275 A C 2.180 179.720 177.584 -0.073 0.000 1.181 275 A CA 2.123 54.151 52.037 -0.015 0.000 0.627 275 A CB -0.791 18.207 19.000 -0.005 0.000 0.818 275 A HN 0.531 nan 8.150 nan 0.000 0.445 276 N N 0.018 118.650 118.700 -0.114 0.000 2.120 276 N HA -0.140 4.603 4.740 0.004 0.000 0.188 276 N C 1.556 176.932 175.510 -0.224 0.000 1.024 276 N CA 1.646 54.615 53.050 -0.136 0.000 0.852 276 N CB -0.329 38.081 38.487 -0.128 0.000 1.003 276 N HN 0.266 nan 8.380 nan 0.000 0.424 277 L N 1.745 122.732 121.223 -0.394 0.000 2.093 277 L HA 0.002 4.345 4.340 0.004 0.000 0.208 277 L C 2.621 179.139 176.870 -0.585 0.000 1.085 277 L CA 1.140 55.570 54.840 -0.683 0.000 0.755 277 L CB -0.639 40.624 42.059 -1.326 0.000 0.904 277 L HN 0.145 nan 8.230 nan 0.000 0.435 278 R N -0.815 119.487 120.500 -0.330 0.000 2.096 278 R HA -0.117 4.225 4.340 0.004 0.000 0.235 278 R C 2.157 178.461 176.300 0.007 0.000 1.127 278 R CA 1.346 57.480 56.100 0.057 0.000 0.968 278 R CB -0.560 29.840 30.300 0.166 0.000 0.861 278 R HN 0.380 nan 8.270 nan 0.000 0.440 279 A N 0.945 123.736 122.820 -0.049 0.000 2.014 279 A HA -0.079 4.243 4.320 0.004 0.000 0.218 279 A C 1.914 179.474 177.584 -0.039 0.000 1.163 279 A CA 0.854 52.873 52.037 -0.031 0.000 0.652 279 A CB -0.051 18.929 19.000 -0.035 0.000 0.808 279 A HN 0.210 nan 8.150 nan 0.000 0.449 280 R N -1.268 119.184 120.500 -0.079 0.000 2.254 280 R HA 0.207 4.549 4.340 0.004 0.000 0.193 280 R C -0.610 175.659 176.300 -0.052 0.000 0.929 280 R CA 0.235 56.294 56.100 -0.068 0.000 1.038 280 R CB 0.511 30.755 30.300 -0.094 0.000 1.009 280 R HN 0.260 nan 8.270 nan 0.000 0.512 281 V N 3.322 123.203 119.914 -0.055 0.000 2.334 281 V HA 0.148 4.271 4.120 0.004 0.000 0.281 281 V C -0.435 175.710 176.094 0.085 0.000 1.016 281 V CA -1.153 61.156 62.300 0.014 0.000 0.832 281 V CB 1.292 33.132 31.823 0.027 0.000 0.999 281 V HN 0.223 nan 8.190 nan 0.000 0.439 282 N N 4.063 122.796 118.700 0.055 0.000 2.411 282 N HA 0.082 4.825 4.740 0.004 0.000 0.261 282 N C 1.350 176.896 175.510 0.059 0.000 1.248 282 N CA 1.060 54.140 53.050 0.049 0.000 0.885 282 N CB 1.035 39.537 38.487 0.025 0.000 1.062 282 N HN 1.142 nan 8.380 nan 0.000 0.471 283 G N 1.905 110.739 108.800 0.058 0.000 2.168 283 G HA2 -0.335 3.628 3.960 0.004 0.000 0.263 283 G HA3 -0.335 3.628 3.960 0.004 0.000 0.263 283 G C 0.182 175.106 174.900 0.041 0.000 0.977 283 G CA 0.307 45.425 45.100 0.029 0.000 0.659 283 G HN 0.630 nan 8.290 nan 0.000 0.533 287 I N 2.899 123.535 120.570 0.110 0.000 2.347 287 I HA 0.241 4.414 4.170 0.004 0.000 0.283 287 I C -0.012 176.291 176.117 0.310 0.000 1.058 287 I CA -0.063 61.371 61.300 0.222 0.000 1.202 287 I CB 1.119 39.304 38.000 0.309 0.000 1.386 287 I HN 0.645 nan 8.210 nan 0.000 0.475 288 E N 5.384 125.707 120.200 0.206 0.000 2.227 288 E HA 0.340 4.693 4.350 0.004 0.000 0.282 288 E C -0.772 175.901 176.600 0.123 0.000 1.015 288 E CA -0.673 55.814 56.400 0.146 0.000 0.823 288 E CB 2.518 32.276 29.700 0.097 0.000 1.081 288 E HN 0.251 nan 8.360 nan 0.000 0.396 289 V N 6.056 125.974 119.914 0.006 0.000 2.348 289 V HA 0.182 4.305 4.120 0.004 0.000 0.270 289 V C -1.822 174.049 176.094 -0.371 0.000 1.037 289 V CA -1.788 60.401 62.300 -0.184 0.000 0.872 289 V CB 0.567 32.175 31.823 -0.360 0.000 1.002 289 V HN 0.585 nan 8.190 nan 0.000 0.464 290 P HA 0.111 nan 4.420 nan 0.000 0.271 290 P C 0.609 177.774 177.300 -0.225 0.000 1.216 290 P CA -0.077 62.927 63.100 -0.160 0.000 0.776 290 P CB 1.406 33.084 31.700 -0.037 0.000 0.881 291 A N 3.382 126.137 122.820 -0.108 0.000 1.978 291 A HA -0.149 4.174 4.320 0.004 0.000 0.220 291 A C 2.105 179.693 177.584 0.006 0.000 1.170 291 A CA 2.118 54.163 52.037 0.012 0.000 0.636 291 A CB -1.817 17.261 19.000 0.129 0.000 0.810 291 A HN 0.576 nan 8.150 nan 0.000 0.448 292 T N -0.041 114.512 114.554 -0.000 0.000 2.665 292 T HA -0.192 4.161 4.350 0.004 0.000 0.268 292 T C 2.099 176.810 174.700 0.019 0.000 1.035 292 T CA 1.648 63.758 62.100 0.017 0.000 1.151 292 T CB -0.228 68.652 68.868 0.021 0.000 0.862 292 T HN 0.506 nan 8.240 nan 0.000 0.438 293 Q N 0.127 119.923 119.800 -0.007 0.000 2.016 293 Q HA 0.059 4.401 4.340 0.004 0.000 0.200 293 Q C 0.532 176.525 176.000 -0.013 0.000 0.978 293 Q CA 0.972 56.778 55.803 0.006 0.000 0.833 293 Q CB -0.060 28.665 28.738 -0.022 0.000 0.895 293 Q HN 0.334 nan 8.270 nan 0.000 0.427 294 V N 1.488 121.344 119.914 -0.096 0.000 2.569 294 V HA 0.205 4.328 4.120 0.004 0.000 0.301 294 V C -0.088 176.046 176.094 0.067 0.000 1.044 294 V CA -0.707 61.578 62.300 -0.024 0.000 0.874 294 V CB 1.746 33.507 31.823 -0.102 0.000 1.002 294 V HN 0.261 nan 8.190 nan 0.000 0.424 295 S N 3.700 119.469 115.700 0.115 0.000 2.624 295 S HA 0.390 4.862 4.470 0.004 0.000 0.263 295 S C 1.194 175.880 174.600 0.143 0.000 1.287 295 S CA -0.341 57.945 58.200 0.144 0.000 0.990 295 S CB 1.556 64.802 63.200 0.076 0.000 0.950 295 S HN 0.402 nan 8.310 nan 0.000 0.561 296 V N 1.617 121.543 119.914 0.021 0.000 2.343 296 V HA -0.159 3.964 4.120 0.004 0.000 0.247 296 V C 2.780 178.839 176.094 -0.059 0.000 1.051 296 V CA 2.305 64.523 62.300 -0.137 0.000 1.036 296 V CB -1.582 30.112 31.823 -0.216 0.000 0.654 296 V HN 0.948 nan 8.190 nan 0.000 0.451 297 S N 0.406 116.092 115.700 -0.023 0.000 2.359 297 S HA -0.246 4.226 4.470 0.004 0.000 0.224 297 S C 1.734 176.324 174.600 -0.018 0.000 1.035 297 S CA 1.828 60.023 58.200 -0.008 0.000 1.018 297 S CB -0.511 62.694 63.200 0.009 0.000 0.876 297 S HN 0.645 nan 8.310 nan 0.000 0.448 298 D N 1.153 121.538 120.400 -0.025 0.000 2.144 298 D HA -0.063 4.580 4.640 0.004 0.000 0.199 298 D C 2.070 178.320 176.300 -0.084 0.000 0.984 298 D CA 1.284 55.209 54.000 -0.124 0.000 0.834 298 D CB -0.929 39.817 40.800 -0.091 0.000 0.955 298 D HN 0.330 nan 8.370 nan 0.000 0.465 299 T N 0.655 115.214 114.554 0.007 0.000 2.708 299 T HA -0.098 4.255 4.350 0.004 0.000 0.266 299 T C 2.257 176.953 174.700 -0.008 0.000 1.037 299 T CA 0.869 63.005 62.100 0.059 0.000 1.146 299 T CB -0.360 68.575 68.868 0.110 0.000 0.865 299 T HN -0.009 nan 8.240 nan 0.000 0.435 300 V N 2.143 122.033 119.914 -0.039 0.000 2.427 300 V HA -0.150 3.973 4.120 0.004 0.000 0.248 300 V C 2.774 178.953 176.094 0.142 0.000 1.051 300 V CA 1.960 64.240 62.300 -0.033 0.000 1.048 300 V CB -0.782 31.035 31.823 -0.010 0.000 0.666 300 V HN 0.648 nan 8.190 nan 0.000 0.456 301 S N 0.423 116.179 115.700 0.093 0.000 2.414 301 S HA -0.147 4.325 4.470 0.004 0.000 0.227 301 S C 1.939 176.619 174.600 0.134 0.000 1.022 301 S CA 1.387 59.652 58.200 0.108 0.000 0.958 301 S CB -0.524 62.687 63.200 0.018 0.000 0.797 301 S HN 0.720 nan 8.310 nan 0.000 0.493 302 T N -4.065 110.547 114.554 0.097 0.000 3.037 302 T HA 0.166 4.519 4.350 0.004 0.000 0.252 302 T C 0.307 175.165 174.700 0.262 0.000 1.073 302 T CA 0.100 62.266 62.100 0.109 0.000 1.091 302 T CB -0.729 68.149 68.868 0.016 0.000 0.935 302 T HN 0.260 nan 8.240 nan 0.000 0.488 303 Y N 0.202 120.512 120.300 0.016 0.000 3.790 303 Y HA -0.167 4.385 4.550 0.004 0.000 0.226 303 Y C 1.168 177.097 175.900 0.049 0.000 1.257 303 Y CA -0.196 57.925 58.100 0.035 0.000 1.765 303 Y CB -2.343 36.136 38.460 0.032 0.000 1.552 303 Y HN 0.347 nan 8.280 nan 0.000 0.650 304 L N -0.801 120.482 121.223 0.101 0.000 2.043 304 L HA -0.172 4.170 4.340 0.004 0.000 0.212 304 L C 1.826 178.616 176.870 -0.134 0.000 1.075 304 L CA 2.251 57.084 54.840 -0.012 0.000 0.752 304 L CB -0.567 41.419 42.059 -0.122 0.000 0.891 304 L HN 0.257 nan 8.230 nan 0.000 0.432 305 F N -0.953 118.996 119.950 -0.002 0.000 2.797 305 F HA 0.123 4.652 4.527 0.004 0.000 0.302 305 F C 1.771 177.569 175.800 -0.003 0.000 1.130 305 F CA 0.291 58.269 58.000 -0.036 0.000 1.387 305 F CB -0.471 38.414 39.000 -0.193 0.000 1.107 305 F HN 0.249 nan 8.300 nan 0.000 0.577 306 N N 0.726 119.502 118.700 0.128 0.000 2.378 306 N HA 0.009 4.751 4.740 0.004 0.000 0.243 306 N C -0.142 175.471 175.510 0.172 0.000 1.137 306 N CA -0.112 53.017 53.050 0.132 0.000 0.862 306 N CB 0.205 38.813 38.487 0.203 0.000 1.116 306 N HN 0.148 nan 8.380 nan 0.000 0.499 307 S N -0.549 115.252 115.700 0.167 0.000 2.687 307 S HA 0.328 4.801 4.470 0.004 0.000 0.283 307 S C -0.182 174.497 174.600 0.132 0.000 1.170 307 S CA -0.742 57.549 58.200 0.151 0.000 1.008 307 S CB 1.926 65.217 63.200 0.152 0.000 1.026 307 S HN 0.172 nan 8.310 nan 0.000 0.541 308 Q N 0.454 120.307 119.800 0.089 0.000 2.278 308 Q HA 0.458 4.801 4.340 0.004 0.000 0.257 308 Q C -1.353 174.668 176.000 0.035 0.000 0.928 308 Q CA -0.688 55.147 55.803 0.055 0.000 0.932 308 Q CB 1.488 30.223 28.738 -0.004 0.000 1.221 308 Q HN 0.563 nan 8.270 nan 0.000 0.434 309 L N 5.068 126.328 121.223 0.062 0.000 2.272 309 L HA 0.372 4.715 4.340 0.004 0.000 0.284 309 L C -1.365 175.536 176.870 0.052 0.000 1.045 309 L CA 0.029 54.898 54.840 0.048 0.000 0.842 309 L CB 0.311 42.426 42.059 0.093 0.000 1.224 309 L HN 0.527 nan 8.230 nan 0.000 0.430 310 L N 2.821 124.041 121.223 -0.006 0.000 2.375 310 L HA 0.608 4.951 4.340 0.004 0.000 0.268 310 L C 0.368 177.347 176.870 0.181 0.000 1.058 310 L CA -0.546 54.311 54.840 0.029 0.000 0.803 310 L CB 1.567 43.410 42.059 -0.361 0.000 1.212 310 L HN 0.463 nan 8.230 nan 0.000 0.451 311 S N 0.783 116.679 115.700 0.328 0.000 2.472 311 S HA 0.571 5.044 4.470 0.004 0.000 0.303 311 S C -0.425 174.346 174.600 0.286 0.000 1.099 311 S CA -0.887 57.468 58.200 0.259 0.000 1.077 311 S CB 1.599 64.907 63.200 0.180 0.000 1.031 311 S HN 0.391 nan 8.310 nan 0.000 0.487 312 R N 1.336 121.922 120.500 0.144 0.000 2.608 312 R HA 0.327 4.670 4.340 0.004 0.000 0.255 312 R C 0.224 176.512 176.300 -0.020 0.000 1.086 312 R CA -0.693 55.413 56.100 0.010 0.000 1.125 312 R CB 0.250 30.551 30.300 0.002 0.000 1.193 312 R HN 0.546 nan 8.270 nan 0.000 0.553 313 D N 0.855 121.209 120.400 -0.076 0.000 2.178 313 D HA -0.139 4.504 4.640 0.004 0.000 0.202 313 D C 0.981 177.275 176.300 -0.009 0.000 0.974 313 D CA 1.290 55.263 54.000 -0.046 0.000 0.841 313 D CB -0.105 40.649 40.800 -0.077 0.000 0.953 313 D HN 0.534 nan 8.370 nan 0.000 0.478 314 D N -0.648 119.742 120.400 -0.017 0.000 2.363 314 D HA 0.053 4.696 4.640 0.004 0.000 0.226 314 D C 1.591 177.889 176.300 -0.004 0.000 1.020 314 D CA 0.872 54.868 54.000 -0.007 0.000 0.892 314 D CB -0.152 40.639 40.800 -0.015 0.000 0.900 314 D HN 0.261 nan 8.370 nan 0.000 0.531 315 G N 0.011 108.809 108.800 -0.002 0.000 2.213 315 G HA2 -0.297 3.666 3.960 0.004 0.000 0.236 315 G HA3 -0.297 3.666 3.960 0.004 0.000 0.236 315 G C 0.547 175.436 174.900 -0.017 0.000 0.991 315 G CA 0.438 45.529 45.100 -0.016 0.000 0.629 315 G HN 0.790 nan 8.290 nan 0.000 0.517 320 V N 5.433 125.378 119.914 0.052 0.000 2.364 320 V HA 0.481 4.604 4.120 0.004 0.000 0.272 320 V C -0.175 176.009 176.094 0.151 0.000 1.036 320 V CA -0.211 62.163 62.300 0.124 0.000 0.880 320 V CB 1.268 33.143 31.823 0.087 0.000 0.991 320 V HN 0.422 nan 8.190 nan 0.000 0.460 321 L N 7.670 129.003 121.223 0.182 0.000 2.323 321 L HA 0.717 5.059 4.340 0.004 0.000 0.265 321 L C -2.429 174.536 176.870 0.158 0.000 1.012 321 L CA -1.899 53.040 54.840 0.165 0.000 0.820 321 L CB 2.029 44.187 42.059 0.165 0.000 1.334 321 L HN 0.355 nan 8.230 nan 0.000 0.427 322 P HA 0.107 nan 4.420 nan 0.000 0.279 322 P C -0.328 176.990 177.300 0.030 0.000 1.252 322 P CA -0.463 62.697 63.100 0.099 0.000 0.811 322 P CB 1.342 33.094 31.700 0.088 0.000 1.035 323 Q N 1.478 121.280 119.800 0.003 0.000 2.197 323 Q HA -0.230 4.112 4.340 0.004 0.000 0.207 323 Q C 1.674 177.623 176.000 -0.086 0.000 0.984 323 Q CA 2.039 57.800 55.803 -0.070 0.000 0.869 323 Q CB -0.560 28.149 28.738 -0.047 0.000 0.906 323 Q HN 0.400 nan 8.270 nan 0.000 0.426 324 E N -0.986 119.199 120.200 -0.024 0.000 2.209 324 E HA -0.180 4.172 4.350 0.004 0.000 0.196 324 E C 2.028 178.638 176.600 0.017 0.000 0.993 324 E CA 1.170 57.571 56.400 0.003 0.000 0.819 324 E CB -0.876 28.843 29.700 0.032 0.000 0.745 324 E HN 0.414 nan 8.360 nan 0.000 0.477 325 C N 0.914 120.217 119.300 0.005 0.000 2.446 325 C HA 0.042 4.505 4.460 0.004 0.000 0.279 325 C C 2.708 177.647 174.990 -0.085 0.000 1.366 325 C CA 0.397 59.453 59.018 0.063 0.000 1.763 325 C CB -0.865 26.952 27.740 0.129 0.000 1.929 325 C HN 0.418 nan 8.230 nan 0.000 0.509 326 R N 1.020 121.241 120.500 -0.465 0.000 2.127 326 R HA -0.030 4.312 4.340 0.004 0.000 0.217 326 R C 1.713 177.677 176.300 -0.559 0.000 1.074 326 R CA 0.999 56.428 56.100 -1.117 0.000 0.991 326 R CB -0.116 29.464 30.300 -1.200 0.000 0.895 326 R HN 0.564 nan 8.270 nan 0.000 0.450 327 E N -0.832 119.223 120.200 -0.241 0.000 2.482 327 E HA -0.118 4.234 4.350 0.004 0.000 0.196 327 E C -0.408 176.211 176.600 0.032 0.000 1.047 327 E CA 0.234 56.579 56.400 -0.091 0.000 0.869 327 E CB 0.113 29.788 29.700 -0.043 0.000 0.836 327 E HN 0.261 nan 8.360 nan 0.000 0.520 328 H N -0.343 118.718 119.070 -0.015 0.000 2.685 328 H HA 0.353 4.911 4.556 0.004 0.000 0.286 328 H C 0.764 176.173 175.328 0.135 0.000 1.102 328 H CA -0.228 55.858 56.048 0.064 0.000 1.254 328 H CB 0.861 30.673 29.762 0.082 0.000 1.397 328 H HN 0.017 nan 8.280 nan 0.000 0.473 329 A N 3.832 126.542 122.820 -0.183 0.000 1.903 329 A HA -0.219 4.104 4.320 0.004 0.000 0.219 329 A C 2.477 180.027 177.584 -0.056 0.000 1.191 329 A CA 1.976 53.978 52.037 -0.058 0.000 0.638 329 A CB -1.279 17.675 19.000 -0.078 0.000 0.823 329 A HN 0.852 nan 8.150 nan 0.000 0.451 330 G N -1.196 107.403 108.800 -0.335 0.000 2.446 330 G HA2 -0.129 3.833 3.960 0.004 0.000 0.217 330 G HA3 -0.129 3.833 3.960 0.004 0.000 0.217 330 G C 1.652 176.689 174.900 0.229 0.000 1.168 330 G CA 1.321 46.391 45.100 -0.051 0.000 0.771 330 G HN 0.597 nan 8.290 nan 0.000 0.551 331 V N -0.258 119.949 119.914 0.488 0.000 2.379 331 V HA -0.007 4.116 4.120 0.004 0.000 0.245 331 V C 2.139 178.515 176.094 0.471 0.000 1.044 331 V CA 1.671 64.261 62.300 0.482 0.000 1.036 331 V CB -0.369 31.734 31.823 0.467 0.000 0.664 331 V HN 0.631 nan 8.190 nan 0.000 0.453 332 W N 0.627 122.022 121.300 0.158 0.000 2.338 332 W HA -0.150 4.513 4.660 0.004 0.000 0.304 332 W C 2.083 178.643 176.519 0.069 0.000 1.212 332 W CA 1.079 58.480 57.345 0.092 0.000 1.264 332 W CB -0.343 29.149 29.460 0.054 0.000 1.142 332 W HN 0.426 nan 8.180 nan 0.000 0.512 333 G N -0.542 108.361 108.800 0.171 0.000 2.421 333 G HA2 -0.405 3.557 3.960 0.004 0.000 0.216 333 G HA3 -0.405 3.557 3.960 0.004 0.000 0.216 333 G C 1.138 176.037 174.900 -0.002 0.000 1.171 333 G CA 1.209 46.321 45.100 0.021 0.000 0.775 333 G HN 0.419 nan 8.290 nan 0.000 0.543 334 Y N 1.264 121.572 120.300 0.013 0.000 2.165 334 Y HA -0.071 4.482 4.550 0.004 0.000 0.286 334 Y C 2.594 178.470 175.900 -0.041 0.000 1.155 334 Y CA 1.464 59.571 58.100 0.011 0.000 1.164 334 Y CB -0.270 38.233 38.460 0.072 0.000 0.978 334 Y HN 0.120 nan 8.280 nan 0.000 0.513 335 L N 0.191 121.393 121.223 -0.035 0.000 2.046 335 L HA -0.279 4.064 4.340 0.004 0.000 0.208 335 L C 2.192 178.830 176.870 -0.386 0.000 1.077 335 L CA 1.507 56.234 54.840 -0.188 0.000 0.747 335 L CB -0.701 41.335 42.059 -0.037 0.000 0.896 335 L HN 0.305 nan 8.230 nan 0.000 0.432 336 N N -0.152 118.272 118.700 -0.459 0.000 2.244 336 N HA -0.217 4.525 4.740 0.004 0.000 0.183 336 N C 1.766 177.082 175.510 -0.324 0.000 1.016 336 N CA 1.195 53.982 53.050 -0.439 0.000 0.866 336 N CB -0.052 38.154 38.487 -0.469 0.000 0.980 336 N HN 0.492 nan 8.380 nan 0.000 0.430 337 E N 0.901 120.906 120.200 -0.325 0.000 2.072 337 E HA -0.133 4.219 4.350 0.004 0.000 0.190 337 E C 2.040 178.437 176.600 -0.338 0.000 0.982 337 E CA 0.473 56.696 56.400 -0.294 0.000 0.803 337 E CB -0.015 29.510 29.700 -0.291 0.000 0.755 337 E HN 0.109 nan 8.360 nan 0.000 0.453 338 L N 0.936 121.870 121.223 -0.481 0.000 2.083 338 L HA -0.136 4.206 4.340 0.004 0.000 0.209 338 L C 2.281 178.979 176.870 -0.287 0.000 1.083 338 L CA 1.179 55.765 54.840 -0.424 0.000 0.752 338 L CB -0.473 41.280 42.059 -0.510 0.000 0.899 338 L HN 0.262 nan 8.230 nan 0.000 0.433 339 L N -0.098 120.958 121.223 -0.278 0.000 2.083 339 L HA -0.080 4.263 4.340 0.004 0.000 0.209 339 L C 2.345 179.111 176.870 -0.173 0.000 1.083 339 L CA 2.082 56.792 54.840 -0.217 0.000 0.752 339 L CB -0.995 40.925 42.059 -0.231 0.000 0.899 339 L HN 0.327 nan 8.230 nan 0.000 0.433 340 A N -1.044 121.671 122.820 -0.175 0.000 2.132 340 A HA 0.500 4.823 4.320 0.004 0.000 0.213 340 A C 1.460 178.972 177.584 -0.120 0.000 1.154 340 A CA 0.471 52.427 52.037 -0.135 0.000 0.753 340 A CB -0.754 18.168 19.000 -0.129 0.000 0.826 340 A HN 0.439 nan 8.150 nan 0.000 0.469 341 A N 0.318 123.055 122.820 -0.138 0.000 2.346 341 A HA 0.361 4.683 4.320 0.004 0.000 0.255 341 A C 0.042 177.569 177.584 -0.095 0.000 1.113 341 A CA 0.224 52.193 52.037 -0.113 0.000 0.798 341 A CB -0.119 18.805 19.000 -0.127 0.000 1.073 341 A HN 0.303 nan 8.150 nan 0.000 0.502 342 D N 0.095 120.450 120.400 -0.076 0.000 2.498 342 D HA 0.360 5.002 4.640 0.004 0.000 0.229 342 D C -0.274 175.983 176.300 -0.071 0.000 1.188 342 D CA 0.203 54.164 54.000 -0.066 0.000 1.028 342 D CB -0.710 40.059 40.800 -0.051 0.000 1.087 342 D HN 0.655 nan 8.370 nan 0.000 0.510 343 N N 0.657 119.309 118.700 -0.081 0.000 3.046 343 N HA 0.380 5.123 4.740 0.004 0.000 0.243 343 N C -2.447 173.011 175.510 -0.086 0.000 1.452 343 N CA -1.176 51.822 53.050 -0.086 0.000 0.882 343 N CB 0.565 38.993 38.487 -0.099 0.000 1.425 343 N HN -0.197 nan 8.380 nan 0.000 0.517 344 P HA 0.135 nan 4.420 nan 0.000 0.222 344 P C -0.254 177.002 177.300 -0.074 0.000 1.147 344 P CA 0.753 63.810 63.100 -0.071 0.000 0.790 344 P CB 0.144 31.804 31.700 -0.066 0.000 0.780 345 I N 0.644 121.151 120.570 -0.104 0.000 2.576 345 I HA -0.053 4.120 4.170 0.004 0.000 0.288 345 I C 1.154 177.210 176.117 -0.102 0.000 1.126 345 I CA 0.468 61.698 61.300 -0.116 0.000 1.362 345 I CB 0.162 38.049 38.000 -0.188 0.000 1.419 345 I HN 0.033 nan 8.210 nan 0.000 0.533 346 S N 3.717 119.377 115.700 -0.068 0.000 2.559 346 S HA 0.249 4.722 4.470 0.004 0.000 0.226 346 S C 0.212 174.783 174.600 -0.050 0.000 1.000 346 S CA -0.442 57.722 58.200 -0.060 0.000 0.948 346 S CB 0.391 63.568 63.200 -0.039 0.000 0.870 346 S HN 0.724 nan 8.310 nan 0.000 0.497 347 E N 0.411 120.587 120.200 -0.040 0.000 2.372 347 E HA 0.542 4.895 4.350 0.004 0.000 0.279 347 E C -1.949 174.643 176.600 -0.015 0.000 0.946 347 E CA -0.791 55.597 56.400 -0.020 0.000 0.769 347 E CB 1.571 31.282 29.700 0.019 0.000 1.230 347 E HN 0.279 nan 8.360 nan 0.000 0.442 348 L N 3.189 124.415 121.223 0.005 0.000 2.341 348 L HA 0.586 4.928 4.340 0.004 0.000 0.278 348 L C -0.425 176.504 176.870 0.098 0.000 1.005 348 L CA -0.792 54.084 54.840 0.061 0.000 0.818 348 L CB 1.822 43.933 42.059 0.087 0.000 1.259 348 L HN 0.374 nan 8.230 nan 0.000 0.418 349 K N 2.496 122.954 120.400 0.097 0.000 2.426 349 K HA 0.655 4.977 4.320 0.004 0.000 0.254 349 K C -1.503 175.117 176.600 0.033 0.000 0.936 349 K CA -0.534 55.775 56.287 0.037 0.000 0.801 349 K CB 2.370 34.905 32.500 0.058 0.000 1.139 349 K HN 0.337 nan 8.250 nan 0.000 0.424 350 V N 4.849 124.695 119.914 -0.113 0.000 2.581 350 V HA 0.568 4.690 4.120 0.004 0.000 0.303 350 V C -0.823 175.076 176.094 -0.326 0.000 1.041 350 V CA -0.654 61.579 62.300 -0.111 0.000 0.907 350 V CB 1.172 32.906 31.823 -0.148 0.000 0.994 350 V HN 0.611 nan 8.190 nan 0.000 0.442 351 F N 1.296 121.241 119.950 -0.008 0.000 2.563 351 F HA 0.433 4.963 4.527 0.004 0.000 0.316 351 F C -0.083 175.711 175.800 -0.009 0.000 1.076 351 F CA -0.864 57.135 58.000 -0.003 0.000 0.921 351 F CB 1.833 40.839 39.000 0.010 0.000 1.209 351 F HN 0.512 nan 8.300 nan 0.000 0.462 352 D N 3.224 123.733 120.400 0.182 0.000 2.365 352 D HA 0.334 4.977 4.640 0.004 0.000 0.237 352 D C -0.510 175.858 176.300 0.114 0.000 1.190 352 D CA 0.270 54.329 54.000 0.098 0.000 0.867 352 D CB 0.380 41.213 40.800 0.055 0.000 1.050 352 D HN 0.510 nan 8.370 nan 0.000 0.491 353 L N 4.636 125.912 121.223 0.089 0.000 3.186 353 L HA 0.268 4.610 4.340 0.004 0.000 0.292 353 L C 1.890 178.797 176.870 0.061 0.000 1.303 353 L CA -0.533 54.353 54.840 0.077 0.000 0.940 353 L CB 0.198 42.309 42.059 0.087 0.000 1.358 353 L HN 0.386 nan 8.230 nan 0.000 0.581 354 R N -0.716 119.811 120.500 0.046 0.000 2.103 354 R HA -0.175 4.167 4.340 0.004 0.000 0.242 354 R C 1.397 177.743 176.300 0.078 0.000 1.142 354 R CA 1.451 57.573 56.100 0.036 0.000 0.960 354 R CB -0.163 30.140 30.300 0.004 0.000 0.858 354 R HN 0.221 nan 8.270 nan 0.000 0.439 355 E N 1.272 121.533 120.200 0.102 0.000 2.038 355 E HA -0.118 4.234 4.350 0.004 0.000 0.195 355 E C 1.097 177.876 176.600 0.297 0.000 1.000 355 E CA 1.157 57.686 56.400 0.215 0.000 0.803 355 E CB -0.494 29.255 29.700 0.082 0.000 0.750 355 E HN 0.367 nan 8.360 nan 0.000 0.448 359 N N 0.172 119.080 118.700 0.347 0.000 2.230 359 N HA 0.367 5.110 4.740 0.004 0.000 0.202 359 N C 0.858 176.384 175.510 0.027 0.000 1.119 359 N CA 0.511 53.753 53.050 0.320 0.000 0.851 359 N CB 0.674 39.559 38.487 0.663 0.000 0.990 359 N HN 1.001 nan 8.380 nan 0.000 0.497 360 G N 0.543 109.318 108.800 -0.043 0.000 2.130 360 G HA2 -0.165 3.798 3.960 0.004 0.000 0.216 360 G HA3 -0.165 3.798 3.960 0.004 0.000 0.216 360 G C 0.026 174.768 174.900 -0.262 0.000 0.999 360 G CA -0.229 44.805 45.100 -0.110 0.000 0.686 360 G HN 0.409 nan 8.290 nan 0.000 0.515 361 G N -0.536 108.074 108.800 -0.315 0.000 2.544 361 G HA2 0.805 4.767 3.960 0.004 0.000 0.313 361 G HA3 0.805 4.767 3.960 0.004 0.000 0.313 361 G C 0.344 175.234 174.900 -0.016 0.000 1.316 361 G CA 0.435 45.381 45.100 -0.257 0.000 0.944 361 G HN 1.037 nan 8.290 nan 0.000 0.489 362 G N 1.617 110.466 108.800 0.082 0.000 2.671 362 G HA2 0.611 4.574 3.960 0.004 0.000 0.275 362 G HA3 0.611 4.574 3.960 0.004 0.000 0.275 362 G C -1.358 173.643 174.900 0.168 0.000 1.368 362 G CA -1.265 43.914 45.100 0.132 0.000 1.044 362 G HN 0.326 nan 8.290 nan 0.000 0.543 363 P HA -0.117 nan 4.420 nan 0.000 0.216 363 P C 1.973 179.334 177.300 0.101 0.000 1.153 363 P CA 2.400 65.556 63.100 0.094 0.000 0.858 363 P CB 0.157 31.907 31.700 0.084 0.000 0.789 364 A N -1.510 121.385 122.820 0.125 0.000 1.968 364 A HA -0.157 4.166 4.320 0.004 0.000 0.217 364 A C 2.333 179.995 177.584 0.131 0.000 1.169 364 A CA 1.318 53.423 52.037 0.114 0.000 0.638 364 A CB -1.670 17.396 19.000 0.111 0.000 0.812 364 A HN 0.204 nan 8.150 nan 0.000 0.446 365 C N -0.676 118.721 119.300 0.162 0.000 2.411 365 C HA -0.038 4.425 4.460 0.004 0.000 0.279 365 C C 2.305 177.498 174.990 0.338 0.000 1.288 365 C CA 0.908 60.043 59.018 0.195 0.000 1.764 365 C CB -1.360 26.447 27.740 0.111 0.000 1.974 365 C HN 0.600 nan 8.230 nan 0.000 0.498 366 L N 0.512 121.921 121.223 0.310 0.000 2.599 366 L HA 0.059 4.401 4.340 0.004 0.000 0.230 366 L C 0.788 177.743 176.870 0.143 0.000 1.141 366 L CA 0.365 55.349 54.840 0.241 0.000 0.877 366 L CB -0.369 41.792 42.059 0.170 0.000 1.009 366 L HN 0.475 nan 8.230 nan 0.000 0.447 367 R N -0.167 120.415 120.500 0.137 0.000 2.744 367 R HA 0.657 5.000 4.340 0.004 0.000 0.279 367 R C -1.423 174.956 176.300 0.130 0.000 0.977 367 R CA -0.722 55.451 56.100 0.121 0.000 0.906 367 R CB 1.392 31.743 30.300 0.084 0.000 1.197 367 R HN -0.155 nan 8.270 nan 0.000 0.463 368 L N 1.777 123.097 121.223 0.162 0.000 2.343 368 L HA 0.554 4.897 4.340 0.004 0.000 0.278 368 L C -0.793 176.180 176.870 0.172 0.000 0.996 368 L CA -0.612 54.309 54.840 0.135 0.000 0.831 368 L CB 1.595 43.716 42.059 0.104 0.000 1.232 368 L HN 0.691 nan 8.230 nan 0.000 0.413 369 R N 4.072 124.644 120.500 0.121 0.000 2.267 369 R HA 0.583 4.926 4.340 0.004 0.000 0.319 369 R C -1.125 175.230 176.300 0.092 0.000 1.067 369 R CA -0.410 55.764 56.100 0.123 0.000 0.936 369 R CB 1.005 31.361 30.300 0.093 0.000 1.006 369 R HN 0.459 nan 8.270 nan 0.000 0.452 370 V N 4.451 124.453 119.914 0.146 0.000 2.357 370 V HA 0.154 4.277 4.120 0.004 0.000 0.281 370 V C -0.029 176.145 176.094 0.133 0.000 1.015 370 V CA -0.930 61.428 62.300 0.097 0.000 0.827 370 V CB 1.660 33.516 31.823 0.055 0.000 1.018 370 V HN 0.476 nan 8.190 nan 0.000 0.432 371 V N 7.025 126.982 119.914 0.071 0.000 2.479 371 V HA 0.322 4.444 4.120 0.004 0.000 0.281 371 V C 0.021 176.192 176.094 0.127 0.000 1.031 371 V CA 0.285 62.624 62.300 0.064 0.000 1.038 371 V CB 0.876 32.743 31.823 0.073 0.000 0.981 371 V HN 0.628 nan 8.190 nan 0.000 0.478 372 L N 4.803 126.116 121.223 0.149 0.000 2.401 372 L HA 0.550 4.893 4.340 0.004 0.000 0.266 372 L C 0.517 177.414 176.870 0.045 0.000 0.991 372 L CA -0.603 54.326 54.840 0.148 0.000 0.818 372 L CB 2.592 44.795 42.059 0.239 0.000 1.321 372 L HN 0.721 nan 8.230 nan 0.000 0.413 373 T N -2.906 111.653 114.554 0.009 0.000 2.754 373 T HA 0.079 4.432 4.350 0.004 0.000 0.286 373 T C 0.926 175.530 174.700 -0.161 0.000 0.997 373 T CA -0.282 61.770 62.100 -0.079 0.000 0.982 373 T CB 1.244 70.079 68.868 -0.054 0.000 1.027 373 T HN 0.790 nan 8.240 nan 0.000 0.529 374 E N -0.064 119.986 120.200 -0.250 0.000 2.085 374 E HA -0.222 4.131 4.350 0.004 0.000 0.194 374 E C 2.004 178.513 176.600 -0.152 0.000 0.994 374 E CA 1.350 57.575 56.400 -0.292 0.000 0.801 374 E CB -0.046 29.490 29.700 -0.274 0.000 0.743 374 E HN 0.805 nan 8.360 nan 0.000 0.453 375 E N -0.036 120.102 120.200 -0.104 0.000 2.107 375 E HA -0.175 4.178 4.350 0.004 0.000 0.191 375 E C 1.883 178.459 176.600 -0.039 0.000 0.982 375 E CA 0.846 57.205 56.400 -0.068 0.000 0.809 375 E CB 0.126 29.783 29.700 -0.071 0.000 0.756 375 E HN 0.348 nan 8.360 nan 0.000 0.459 376 E N 0.047 120.229 120.200 -0.029 0.000 2.106 376 E HA -0.146 4.207 4.350 0.004 0.000 0.192 376 E C 2.163 178.897 176.600 0.224 0.000 0.984 376 E CA 0.593 57.024 56.400 0.051 0.000 0.806 376 E CB 0.049 29.788 29.700 0.065 0.000 0.750 376 E HN 0.032 nan 8.360 nan 0.000 0.458 377 R N 0.571 121.138 120.500 0.113 0.000 2.105 377 R HA -0.113 4.230 4.340 0.004 0.000 0.239 377 R C 2.389 178.747 176.300 0.096 0.000 1.135 377 R CA 1.403 57.571 56.100 0.113 0.000 0.967 377 R CB -0.120 30.171 30.300 -0.015 0.000 0.861 377 R HN 0.017 nan 8.270 nan 0.000 0.442 378 R N 0.010 120.540 120.500 0.050 0.000 2.148 378 R HA -0.035 4.307 4.340 0.004 0.000 0.227 378 R C 1.741 178.088 176.300 0.077 0.000 1.103 378 R CA 1.390 57.513 56.100 0.038 0.000 0.983 378 R CB -0.089 30.212 30.300 0.002 0.000 0.874 378 R HN 0.225 nan 8.270 nan 0.000 0.451 379 A N 0.786 123.691 122.820 0.143 0.000 2.119 379 A HA 0.131 4.453 4.320 0.004 0.000 0.216 379 A C 0.778 178.539 177.584 0.295 0.000 1.152 379 A CA 0.154 52.321 52.037 0.217 0.000 0.708 379 A CB 0.089 19.209 19.000 0.200 0.000 0.805 379 A HN 0.124 nan 8.150 nan 0.000 0.460 380 V N 1.876 121.929 119.914 0.231 0.000 2.715 380 V HA -0.002 4.120 4.120 0.004 0.000 0.299 380 V C 0.732 176.786 176.094 -0.065 0.000 1.054 380 V CA -0.694 61.594 62.300 -0.019 0.000 1.077 380 V CB 0.518 32.315 31.823 -0.043 0.000 0.972 380 V HN 0.572 nan 8.190 nan 0.000 0.484 381 N N 7.091 125.694 118.700 -0.161 0.000 2.386 381 N HA -0.021 4.721 4.740 0.004 0.000 0.273 381 N C -0.989 174.464 175.510 -0.094 0.000 1.331 381 N CA -1.069 51.910 53.050 -0.119 0.000 0.891 381 N CB 1.085 39.476 38.487 -0.160 0.000 1.139 381 N HN 0.429 nan 8.380 nan 0.000 0.487 382 P HA -0.133 nan 4.420 nan 0.000 0.221 382 P C 0.710 177.975 177.300 -0.058 0.000 1.145 382 P CA 0.896 63.968 63.100 -0.046 0.000 0.795 382 P CB 0.107 31.791 31.700 -0.025 0.000 0.775 383 A N 0.112 122.892 122.820 -0.066 0.000 2.172 383 A HA 0.076 4.399 4.320 0.004 0.000 0.216 383 A C 1.444 178.977 177.584 -0.085 0.000 1.154 383 A CA 0.940 52.935 52.037 -0.070 0.000 0.701 383 A CB -1.023 17.934 19.000 -0.071 0.000 0.789 383 A HN 0.269 nan 8.150 nan 0.000 0.465 388 D N -0.330 120.103 120.400 0.054 0.000 2.133 388 D HA -0.124 4.519 4.640 0.004 0.000 0.195 388 D C 1.167 177.553 176.300 0.143 0.000 0.997 388 D CA 2.325 56.391 54.000 0.111 0.000 0.840 388 D CB -0.527 40.314 40.800 0.068 0.000 0.947 388 D HN 0.674 nan 8.370 nan 0.000 0.452 389 T N 0.917 115.519 114.554 0.081 0.000 2.708 389 T HA -0.136 4.217 4.350 0.004 0.000 0.266 389 T C 1.913 176.645 174.700 0.054 0.000 1.037 389 T CA 0.647 62.781 62.100 0.057 0.000 1.146 389 T CB -0.390 68.496 68.868 0.030 0.000 0.865 389 T HN 0.043 nan 8.240 nan 0.000 0.435 390 L N 0.682 121.937 121.223 0.054 0.000 2.056 390 L HA 0.090 4.432 4.340 0.004 0.000 0.207 390 L C 2.041 178.947 176.870 0.061 0.000 1.078 390 L CA 1.504 56.362 54.840 0.030 0.000 0.749 390 L CB -0.946 41.119 42.059 0.010 0.000 0.901 390 L HN 0.219 nan 8.230 nan 0.000 0.433 391 F N 0.751 120.686 119.950 -0.025 0.000 2.069 391 F HA -0.284 4.245 4.527 0.004 0.000 0.298 391 F C 2.284 178.083 175.800 -0.002 0.000 1.113 391 F CA 2.112 60.102 58.000 -0.016 0.000 1.214 391 F CB -0.554 38.440 39.000 -0.011 0.000 0.978 391 F HN 0.259 nan 8.300 nan 0.000 0.474 392 N N 0.702 119.373 118.700 -0.048 0.000 2.188 392 N HA -0.116 4.627 4.740 0.004 0.000 0.184 392 N C 2.018 177.457 175.510 -0.118 0.000 1.018 392 N CA 1.409 54.376 53.050 -0.138 0.000 0.858 392 N CB -0.878 37.615 38.487 0.010 0.000 0.989 392 N HN 0.439 nan 8.380 nan 0.000 0.426 393 A N 1.362 124.149 122.820 -0.055 0.000 1.877 393 A HA -0.033 4.289 4.320 0.004 0.000 0.216 393 A C 2.384 179.962 177.584 -0.010 0.000 1.186 393 A CA 0.880 52.903 52.037 -0.022 0.000 0.620 393 A CB -0.729 18.259 19.000 -0.019 0.000 0.822 393 A HN 0.188 nan 8.150 nan 0.000 0.443 394 L N -0.369 120.816 121.223 -0.064 0.000 2.056 394 L HA -0.190 4.153 4.340 0.004 0.000 0.207 394 L C 2.379 179.246 176.870 -0.005 0.000 1.078 394 L CA 1.176 56.002 54.840 -0.024 0.000 0.749 394 L CB -0.665 41.346 42.059 -0.080 0.000 0.901 394 L HN 0.388 nan 8.230 nan 0.000 0.433 395 N N 0.124 118.697 118.700 -0.211 0.000 2.149 395 N HA -0.185 4.557 4.740 0.004 0.000 0.188 395 N C 1.415 176.858 175.510 -0.112 0.000 1.019 395 N CA 1.459 54.360 53.050 -0.248 0.000 0.857 395 N CB -0.251 37.964 38.487 -0.454 0.000 0.997 395 N HN 0.343 nan 8.380 nan 0.000 0.426 396 D N -0.453 119.912 120.400 -0.057 0.000 2.117 396 D HA -0.141 4.501 4.640 0.004 0.000 0.198 396 D C 1.740 178.073 176.300 0.055 0.000 0.982 396 D CA 0.464 54.455 54.000 -0.014 0.000 0.828 396 D CB -0.528 40.273 40.800 0.001 0.000 0.967 396 D HN 0.363 nan 8.370 nan 0.000 0.464 397 W N 1.862 123.129 121.300 -0.055 0.000 2.338 397 W HA -0.226 4.436 4.660 0.004 0.000 0.304 397 W C 2.058 178.625 176.519 0.081 0.000 1.212 397 W CA 1.327 58.706 57.345 0.056 0.000 1.264 397 W CB -0.370 29.157 29.460 0.110 0.000 1.142 397 W HN -0.235 nan 8.180 nan 0.000 0.512 398 V N 1.200 121.148 119.914 0.058 0.000 2.295 398 V HA -0.322 3.800 4.120 0.004 0.000 0.246 398 V C 2.066 178.052 176.094 -0.180 0.000 1.049 398 V CA 2.421 64.537 62.300 -0.307 0.000 1.024 398 V CB -1.010 30.564 31.823 -0.415 0.000 0.648 398 V HN 0.099 nan 8.190 nan 0.000 0.447 399 D N -0.325 119.997 120.400 -0.131 0.000 2.218 399 D HA -0.184 4.459 4.640 0.004 0.000 0.204 399 D C 2.272 178.490 176.300 -0.137 0.000 0.976 399 D CA 1.229 55.164 54.000 -0.108 0.000 0.853 399 D CB -0.156 40.587 40.800 -0.094 0.000 0.939 399 D HN 0.320 nan 8.370 nan 0.000 0.481 400 R N -0.307 120.059 120.500 -0.223 0.000 2.062 400 R HA -0.066 4.277 4.340 0.004 0.000 0.226 400 R C 1.743 177.771 176.300 -0.452 0.000 1.125 400 R CA 1.242 57.101 56.100 -0.402 0.000 0.966 400 R CB -0.379 29.537 30.300 -0.639 0.000 0.861 400 R HN 0.239 nan 8.270 nan 0.000 0.433 401 Y N -2.172 118.003 120.300 -0.207 0.000 2.507 401 Y HA 0.231 4.784 4.550 0.005 0.000 0.263 401 Y C -0.112 175.693 175.900 -0.159 0.000 1.093 401 Y CA -0.650 57.309 58.100 -0.235 0.000 1.285 401 Y CB 0.279 38.460 38.460 -0.466 0.000 1.115 401 Y HN -0.116 nan 8.280 nan 0.000 0.533 402 Y N 1.983 122.183 120.300 -0.167 0.000 2.319 402 Y HA 0.300 4.853 4.550 0.004 0.000 0.328 402 Y C 0.534 176.378 175.900 -0.094 0.000 1.133 402 Y CA -1.334 56.686 58.100 -0.133 0.000 1.265 402 Y CB 0.429 38.811 38.460 -0.129 0.000 1.218 402 Y HN -0.119 nan 8.280 nan 0.000 0.508 403 R N 1.972 122.481 120.500 0.015 0.000 2.500 403 R HA 0.152 4.495 4.340 0.004 0.000 0.275 403 R C -0.027 176.287 176.300 0.024 0.000 1.051 403 R CA -0.588 55.509 56.100 -0.006 0.000 1.088 403 R CB 0.757 31.027 30.300 -0.049 0.000 1.063 403 R HN 0.686 nan 8.270 nan 0.000 0.511 404 D N 1.266 121.670 120.400 0.007 0.000 2.333 404 D HA 0.025 4.668 4.640 0.004 0.000 0.208 404 D C 0.019 176.320 176.300 0.001 0.000 0.984 404 D CA 0.929 54.934 54.000 0.010 0.000 0.873 404 D CB 0.504 41.303 40.800 -0.001 0.000 0.935 404 D HN 0.271 nan 8.370 nan 0.000 0.521 405 R N -0.020 120.473 120.500 -0.011 0.000 2.621 405 R HA 0.646 4.989 4.340 0.004 0.000 0.284 405 R C -1.381 174.896 176.300 -0.038 0.000 0.998 405 R CA -0.665 55.423 56.100 -0.019 0.000 0.895 405 R CB 2.476 32.768 30.300 -0.014 0.000 1.195 405 R HN -0.123 nan 8.270 nan 0.000 0.450 406 L N 0.770 121.961 121.223 -0.053 0.000 2.556 406 L HA 0.651 4.994 4.340 0.004 0.000 0.257 406 L C -1.317 175.507 176.870 -0.076 0.000 0.955 406 L CA 0.018 54.812 54.840 -0.077 0.000 0.850 406 L CB 2.699 44.698 42.059 -0.101 0.000 1.398 406 L HN 0.876 nan 8.230 nan 0.000 0.412 407 T N 0.340 114.852 114.554 -0.070 0.000 2.883 407 T HA 0.703 5.055 4.350 0.004 0.000 0.296 407 T C 0.778 175.430 174.700 -0.080 0.000 1.117 407 T CA -0.179 61.899 62.100 -0.036 0.000 1.006 407 T CB 1.512 70.379 68.868 -0.003 0.000 1.191 407 T HN 0.837 nan 8.240 nan 0.000 0.508 408 A N 0.723 123.520 122.820 -0.037 0.000 1.978 408 A HA 0.195 4.518 4.320 0.004 0.000 0.220 408 A C 2.490 180.014 177.584 -0.099 0.000 1.170 408 A CA 2.056 54.037 52.037 -0.093 0.000 0.636 408 A CB -1.468 17.546 19.000 0.024 0.000 0.810 408 A HN 1.396 nan 8.150 nan 0.000 0.448 409 A N -0.116 122.670 122.820 -0.056 0.000 2.019 409 A HA -0.143 4.179 4.320 0.004 0.000 0.219 409 A C 1.537 179.078 177.584 -0.071 0.000 1.164 409 A CA 1.610 53.616 52.037 -0.051 0.000 0.644 409 A CB -0.388 18.595 19.000 -0.028 0.000 0.805 409 A HN 0.498 nan 8.150 nan 0.000 0.449 410 D N -0.065 120.280 120.400 -0.091 0.000 2.347 410 D HA 0.012 4.654 4.640 0.004 0.000 0.215 410 D C 1.611 177.837 176.300 -0.123 0.000 0.976 410 D CA 0.362 54.303 54.000 -0.097 0.000 0.884 410 D CB -0.118 40.624 40.800 -0.097 0.000 0.915 410 D HN 0.472 nan 8.370 nan 0.000 0.526 411 L N 0.611 121.742 121.223 -0.153 0.000 2.362 411 L HA -0.062 4.281 4.340 0.004 0.000 0.219 411 L C 2.226 179.026 176.870 -0.117 0.000 1.134 411 L CA 0.539 55.281 54.840 -0.165 0.000 0.807 411 L CB -0.241 41.690 42.059 -0.215 0.000 0.927 411 L HN -0.030 nan 8.230 nan 0.000 0.447 412 A N -1.466 121.295 122.820 -0.098 0.000 2.218 412 A HA -0.061 4.261 4.320 0.004 0.000 0.209 412 A C 0.720 178.258 177.584 -0.078 0.000 1.168 412 A CA -0.026 51.961 52.037 -0.084 0.000 0.804 412 A CB -0.240 18.717 19.000 -0.072 0.000 0.834 412 A HN 0.224 nan 8.150 nan 0.000 0.482 413 D N 0.377 120.728 120.400 -0.081 0.000 2.346 413 D HA 0.199 4.842 4.640 0.004 0.000 0.260 413 D C -1.695 174.558 176.300 -0.078 0.000 1.252 413 D CA -1.967 51.989 54.000 -0.073 0.000 0.895 413 D CB 1.145 41.901 40.800 -0.074 0.000 1.097 413 D HN 0.025 nan 8.370 nan 0.000 0.489 414 P HA -0.149 nan 4.420 nan 0.000 0.219 414 P C 1.189 178.444 177.300 -0.074 0.000 1.146 414 P CA 0.941 64.000 63.100 -0.069 0.000 0.808 414 P CB 0.240 31.907 31.700 -0.055 0.000 0.779 415 Q N -0.802 118.958 119.800 -0.067 0.000 2.172 415 Q HA -0.138 4.205 4.340 0.004 0.000 0.200 415 Q C 1.944 177.893 176.000 -0.085 0.000 0.964 415 Q CA 0.817 56.581 55.803 -0.066 0.000 0.855 415 Q CB -0.521 28.185 28.738 -0.054 0.000 0.918 415 Q HN 0.133 nan 8.270 nan 0.000 0.444 416 L N 0.556 121.720 121.223 -0.097 0.000 2.046 416 L HA -0.156 4.186 4.340 0.004 0.000 0.208 416 L C 2.100 178.882 176.870 -0.146 0.000 1.077 416 L CA 1.337 56.103 54.840 -0.123 0.000 0.747 416 L CB -0.628 41.354 42.059 -0.128 0.000 0.896 416 L HN 0.312 nan 8.230 nan 0.000 0.432 417 L N -0.171 120.971 121.223 -0.136 0.000 1.989 417 L HA -0.220 4.122 4.340 0.004 0.000 0.211 417 L C 2.700 179.460 176.870 -0.183 0.000 1.071 417 L CA 1.850 56.596 54.840 -0.157 0.000 0.749 417 L CB -0.546 41.434 42.059 -0.131 0.000 0.890 417 L HN 0.247 nan 8.230 nan 0.000 0.431 418 R N -0.440 119.976 120.500 -0.141 0.000 2.081 418 R HA -0.154 4.189 4.340 0.004 0.000 0.235 418 R C 2.119 178.336 176.300 -0.139 0.000 1.131 418 R CA 1.743 57.766 56.100 -0.129 0.000 0.960 418 R CB -0.496 29.757 30.300 -0.078 0.000 0.856 418 R HN 0.551 nan 8.270 nan 0.000 0.436 419 E N -0.061 120.063 120.200 -0.127 0.000 2.051 419 E HA -0.135 4.217 4.350 0.004 0.000 0.192 419 E C 2.193 178.642 176.600 -0.253 0.000 0.991 419 E CA 1.154 57.483 56.400 -0.118 0.000 0.799 419 E CB -0.236 29.413 29.700 -0.086 0.000 0.748 419 E HN 0.507 nan 8.360 nan 0.000 0.449 420 G N 1.385 110.017 108.800 -0.279 0.000 2.422 420 G HA2 -0.245 3.717 3.960 0.004 0.000 0.218 420 G HA3 -0.245 3.717 3.960 0.004 0.000 0.218 420 G C 1.624 176.289 174.900 -0.393 0.000 1.146 420 G CA 0.286 45.181 45.100 -0.342 0.000 0.769 420 G HN 0.001 nan 8.290 nan 0.000 0.547 421 R N 0.400 120.640 120.500 -0.433 0.000 2.066 421 R HA -0.002 4.341 4.340 0.004 0.000 0.232 421 R C 2.309 178.446 176.300 -0.272 0.000 1.131 421 R CA 1.201 56.929 56.100 -0.621 0.000 0.955 421 R CB -0.921 29.024 30.300 -0.591 0.000 0.851 421 R HN 0.552 nan 8.270 nan 0.000 0.432 422 E N 0.488 120.571 120.200 -0.194 0.000 2.051 422 E HA -0.155 4.198 4.350 0.004 0.000 0.192 422 E C 1.901 178.365 176.600 -0.227 0.000 0.991 422 E CA 1.198 57.542 56.400 -0.094 0.000 0.799 422 E CB 0.000 29.686 29.700 -0.023 0.000 0.748 422 E HN 0.277 nan 8.360 nan 0.000 0.449 423 A N 1.302 123.727 122.820 -0.658 0.000 1.873 423 A HA -0.213 4.109 4.320 0.004 0.000 0.218 423 A C 2.235 179.882 177.584 0.106 0.000 1.193 423 A CA 1.474 52.972 52.037 -0.898 0.000 0.629 423 A CB -0.845 17.491 19.000 -1.106 0.000 0.826 423 A HN 0.324 nan 8.150 nan 0.000 0.447 424 L N -1.044 120.226 121.223 0.079 0.000 2.141 424 L HA -0.183 4.160 4.340 0.004 0.000 0.209 424 L C 2.335 179.411 176.870 0.342 0.000 1.094 424 L CA 1.754 56.729 54.840 0.225 0.000 0.763 424 L CB -0.592 41.455 42.059 -0.019 0.000 0.908 424 L HN 0.469 nan 8.230 nan 0.000 0.437 425 D N -0.379 120.225 120.400 0.341 0.000 2.117 425 D HA -0.146 4.496 4.640 0.004 0.000 0.198 425 D C 2.145 178.566 176.300 0.201 0.000 0.982 425 D CA 0.835 55.012 54.000 0.296 0.000 0.828 425 D CB 0.270 41.242 40.800 0.286 0.000 0.967 425 D HN -0.019 nan 8.370 nan 0.000 0.464 426 V N 0.425 120.471 119.914 0.220 0.000 2.358 426 V HA -0.159 3.964 4.120 0.004 0.000 0.246 426 V C 2.404 178.577 176.094 0.132 0.000 1.047 426 V CA 1.174 63.613 62.300 0.231 0.000 1.035 426 V CB -0.453 31.613 31.823 0.405 0.000 0.658 426 V HN 0.274 nan 8.190 nan 0.000 0.452 427 L N 1.179 122.456 121.223 0.090 0.000 2.083 427 L HA -0.148 4.194 4.340 0.004 0.000 0.209 427 L C 2.693 179.502 176.870 -0.102 0.000 1.083 427 L CA 2.404 57.089 54.840 -0.258 0.000 0.752 427 L CB -0.648 41.126 42.059 -0.474 0.000 0.899 427 L HN 0.503 nan 8.230 nan 0.000 0.433 428 S N -1.751 113.978 115.700 0.048 0.000 2.419 428 S HA -0.234 4.239 4.470 0.004 0.000 0.233 428 S C 1.856 176.442 174.600 -0.024 0.000 1.016 428 S CA 1.237 59.449 58.200 0.019 0.000 0.974 428 S CB -0.475 62.764 63.200 0.065 0.000 0.786 428 S HN 0.669 nan 8.310 nan 0.000 0.492 429 Q N 0.179 119.978 119.800 -0.002 0.000 2.062 429 Q HA 0.190 4.533 4.340 0.004 0.000 0.196 429 Q C 2.203 178.184 176.000 -0.032 0.000 0.967 429 Q CA 1.085 56.884 55.803 -0.007 0.000 0.832 429 Q CB -0.333 28.421 28.738 0.027 0.000 0.899 429 Q HN 0.503 nan 8.270 nan 0.000 0.442 430 L N 0.458 121.649 121.223 -0.053 0.000 2.042 430 L HA -0.147 4.196 4.340 0.004 0.000 0.210 430 L C 1.584 178.396 176.870 -0.096 0.000 1.076 430 L CA 1.718 56.510 54.840 -0.080 0.000 0.749 430 L CB -0.119 41.855 42.059 -0.142 0.000 0.893 430 L HN 0.199 nan 8.230 nan 0.000 0.432 431 L N -0.339 120.814 121.223 -0.118 0.000 2.591 431 L HA 0.083 4.426 4.340 0.004 0.000 0.228 431 L C 0.612 177.425 176.870 -0.094 0.000 1.133 431 L CA 0.253 55.025 54.840 -0.113 0.000 0.880 431 L CB -0.643 41.337 42.059 -0.132 0.000 1.033 431 L HN 0.502 nan 8.230 nan 0.000 0.450 432 N N 0.631 119.284 118.700 -0.077 0.000 2.714 432 N HA -0.226 4.516 4.740 0.004 0.000 0.253 432 N C 0.216 175.675 175.510 -0.085 0.000 1.024 432 N CA 0.452 53.461 53.050 -0.068 0.000 0.726 432 N CB -1.006 37.446 38.487 -0.060 0.000 0.908 432 N HN 0.358 nan 8.380 nan 0.000 0.542 433 L N -0.732 120.432 121.223 -0.099 0.000 2.638 433 L HA 0.393 4.735 4.340 0.004 0.000 0.232 433 L C 1.729 178.520 176.870 -0.132 0.000 1.099 433 L CA 0.208 54.970 54.840 -0.130 0.000 0.883 433 L CB -0.252 41.703 42.059 -0.173 0.000 1.136 433 L HN 0.556 nan 8.230 nan 0.000 0.492 434 G N 0.396 109.135 108.800 -0.101 0.000 2.645 434 G HA2 -0.276 3.687 3.960 0.004 0.000 0.239 434 G HA3 -0.276 3.687 3.960 0.004 0.000 0.239 434 G C -0.040 174.785 174.900 -0.124 0.000 1.331 434 G CA -0.207 44.836 45.100 -0.094 0.000 0.890 434 G HN 0.115 nan 8.290 nan 0.000 0.572 435 S N 0.134 115.760 115.700 -0.124 0.000 3.900 435 S HA 0.293 4.766 4.470 0.004 0.000 0.248 435 S C 1.292 175.770 174.600 -0.202 0.000 1.310 435 S CA 0.399 58.505 58.200 -0.158 0.000 0.915 435 S CB 0.892 64.015 63.200 -0.128 0.000 1.588 435 S HN 1.232 nan 8.310 nan 0.000 0.472 436 V N 2.755 122.490 119.914 -0.299 0.000 3.235 436 V HA 0.170 4.293 4.120 0.004 0.000 0.259 436 V C -0.265 175.561 176.094 -0.446 0.000 1.133 436 V CA 0.753 62.812 62.300 -0.402 0.000 1.128 436 V CB -0.106 31.396 31.823 -0.536 0.000 0.757 436 V HN 0.678 nan 8.190 nan 0.000 0.469 437 Y N 0.119 120.308 120.300 -0.186 0.000 2.352 437 Y HA 0.363 4.915 4.550 0.004 0.000 0.326 437 Y C -1.150 174.659 175.900 -0.152 0.000 1.166 437 Y CA -2.123 55.896 58.100 -0.135 0.000 1.182 437 Y CB 0.598 39.021 38.460 -0.062 0.000 1.216 437 Y HN -0.016 nan 8.280 nan 0.000 0.474 438 P HA -0.255 nan 4.420 nan 0.000 0.216 438 P C 1.391 178.753 177.300 0.104 0.000 1.153 438 P CA 1.806 65.004 63.100 0.162 0.000 0.858 438 P CB -0.111 31.758 31.700 0.282 0.000 0.789 439 F N -0.151 119.866 119.950 0.111 0.000 2.333 439 F HA -0.104 4.425 4.527 0.004 0.000 0.300 439 F C 1.625 177.459 175.800 0.057 0.000 1.083 439 F CA 1.012 59.044 58.000 0.052 0.000 1.395 439 F CB -1.548 37.470 39.000 0.030 0.000 1.056 439 F HN -0.054 nan 8.300 nan 0.000 0.529 440 Q N 0.192 119.574 119.800 -0.696 0.000 2.425 440 Q HA 0.137 4.479 4.340 0.004 0.000 0.204 440 Q C 0.592 176.472 176.000 -0.200 0.000 0.933 440 Q CA 0.149 55.648 55.803 -0.507 0.000 0.939 440 Q CB 0.178 28.570 28.738 -0.577 0.000 1.044 440 Q HN 0.408 nan 8.270 nan 0.000 0.513 441 R N 0.000 120.424 120.500 -0.126 0.000 2.786 441 R HA 0.000 4.343 4.340 0.004 0.000 0.208 441 R CA 0.000 56.062 56.100 -0.063 0.000 0.921 441 R CB 0.000 30.271 30.300 -0.048 0.000 0.687 441 R HN 0.000 nan 8.270 nan 0.000 0.535