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 1vji_1_A DATA FIRST_RESID 9 DATA SEQUENCE SVPLLTPYKM GRFNLSHRVV LAPLTRQRSY GNVPQPHAAI YYSQRTTPGG DATA SEQUENCE FLITEATGVS DTAQGYQDTP GIWTKEHVEA WKPIVDAVHA KGGIFFCQIW DATA SEQUENCE HVGRVSNSGF QPNGKAPISC SDKPLMPQIR SNGIDEALFT PPRRLGIEEI DATA SEQUENCE PGIVNDFRLA ARNAMEAGFD GVEIHGANGY LIDQFMKDTV NDRTDEYGGS DATA SEQUENCE LQNRCKFPLE IVDAVAKEIG PDRVGIRLSP FADYMESGDT NPGALGLYMA DATA SEQUENCE ESLNKYGILY CHVIEARMXX XXXXXXXXHT LMPMRKAFKG TFISAGGFTR DATA SEQUENCE EDGNEAVSKG RTDLVAYGRW FLANPDLPKR FQVDAPLNKY DRPTFYTSDP DATA SEQUENCE VVGYTDYPFL E 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 9 S HA 0.000 nan 4.470 nan 0.000 0.327 9 S C 0.000 174.601 174.600 0.002 0.000 1.055 9 S CA 0.000 58.203 58.200 0.005 0.000 1.107 9 S CB 0.000 63.200 63.200 -0.000 0.000 0.593 10 V N 4.495 124.409 119.914 0.001 0.000 2.385 10 V HA 0.340 4.461 4.120 0.001 0.000 0.269 10 V C -1.655 174.440 176.094 0.003 0.000 1.043 10 V CA -1.293 61.001 62.300 -0.010 0.000 0.906 10 V CB 1.185 32.995 31.823 -0.022 0.000 0.995 10 V HN 0.317 nan 8.190 nan 0.000 0.467 11 P HA -0.140 nan 4.420 nan 0.000 0.216 11 P C 1.733 179.048 177.300 0.024 0.000 1.150 11 P CA 1.201 64.309 63.100 0.015 0.000 0.843 11 P CB 0.260 31.964 31.700 0.007 0.000 0.787 12 L N -1.510 119.719 121.223 0.011 0.000 2.191 12 L HA -0.088 4.253 4.340 0.001 0.000 0.212 12 L C 1.684 178.606 176.870 0.085 0.000 1.103 12 L CA 0.832 55.695 54.840 0.038 0.000 0.769 12 L CB -0.423 41.641 42.059 0.007 0.000 0.908 12 L HN 0.008 nan 8.230 nan 0.000 0.438 13 L N 0.119 121.379 121.223 0.062 0.000 2.791 13 L HA 0.137 4.478 4.340 0.001 0.000 0.239 13 L C 0.600 177.533 176.870 0.105 0.000 1.203 13 L CA 0.285 55.177 54.840 0.087 0.000 1.002 13 L CB -0.858 41.215 42.059 0.024 0.000 1.295 13 L HN 0.265 nan 8.230 nan 0.000 0.504 14 T N -2.056 112.559 114.554 0.103 0.000 2.837 14 T HA 0.498 4.848 4.350 0.001 0.000 0.285 14 T C -2.525 172.255 174.700 0.133 0.000 0.984 14 T CA -2.007 60.153 62.100 0.099 0.000 1.049 14 T CB 1.761 70.677 68.868 0.081 0.000 0.947 14 T HN -0.120 nan 8.240 nan 0.000 0.472 15 P HA 0.254 nan 4.420 nan 0.000 0.270 15 P C -1.444 175.965 177.300 0.182 0.000 1.227 15 P CA -0.194 62.981 63.100 0.124 0.000 0.788 15 P CB 0.174 31.919 31.700 0.075 0.000 0.926 16 Y N 0.170 120.476 120.300 0.011 0.000 2.519 16 Y HA 0.470 5.021 4.550 0.001 0.000 0.336 16 Y C -1.112 174.789 175.900 0.001 0.000 1.089 16 Y CA -1.234 56.869 58.100 0.006 0.000 1.025 16 Y CB 1.745 40.205 38.460 -0.001 0.000 1.318 16 Y HN 0.071 nan 8.280 nan 0.000 0.452 17 K N 6.015 125.899 120.400 -0.860 0.000 2.281 17 K HA 0.421 4.742 4.320 0.001 0.000 0.272 17 K C -0.986 175.191 176.600 -0.704 0.000 1.048 17 K CA -0.480 55.469 56.287 -0.564 0.000 0.898 17 K CB 0.672 32.960 32.500 -0.353 0.000 1.128 17 K HN 0.819 nan 8.250 nan 0.000 0.460 18 M N 5.604 125.065 119.600 -0.231 0.000 2.206 18 M HA 0.205 4.685 4.480 0.001 0.000 0.353 18 M C 0.707 177.075 176.300 0.112 0.000 1.242 18 M CA 0.516 55.839 55.300 0.038 0.000 1.179 18 M CB 0.007 32.677 32.600 0.116 0.000 1.374 18 M HN 0.923 nan 8.290 nan 0.000 0.427 19 G N 4.107 112.936 108.800 0.048 0.000 2.692 19 G HA2 -0.414 3.547 3.960 0.001 0.000 0.339 19 G HA3 -0.414 3.547 3.960 0.001 0.000 0.339 19 G C 0.561 175.407 174.900 -0.090 0.000 1.226 19 G CA 1.079 46.181 45.100 0.002 0.000 0.979 19 G HN 0.722 nan 8.290 nan 0.000 0.549 20 R N 0.009 120.392 120.500 -0.196 0.000 2.334 20 R HA 0.436 4.777 4.340 0.001 0.000 0.216 20 R C 0.151 176.215 176.300 -0.395 0.000 0.905 20 R CA -0.182 55.732 56.100 -0.309 0.000 1.064 20 R CB -0.086 29.998 30.300 -0.361 0.000 1.046 20 R HN 0.276 nan 8.270 nan 0.000 0.508 21 F N 1.183 121.108 119.950 -0.041 0.000 2.394 21 F HA 0.332 4.860 4.527 0.001 0.000 0.340 21 F C 0.203 175.953 175.800 -0.082 0.000 1.105 21 F CA -0.929 57.041 58.000 -0.050 0.000 1.124 21 F CB 0.965 39.920 39.000 -0.075 0.000 1.145 21 F HN -0.072 nan 8.300 nan 0.000 0.505 22 N N 5.411 124.178 118.700 0.112 0.000 2.426 22 N HA 0.340 5.081 4.740 0.001 0.000 0.257 22 N C -1.035 174.505 175.510 0.050 0.000 1.002 22 N CA -0.336 52.738 53.050 0.040 0.000 0.942 22 N CB 1.712 40.209 38.487 0.018 0.000 1.112 22 N HN 0.451 nan 8.380 nan 0.000 0.499 23 L N 1.197 122.439 121.223 0.032 0.000 2.307 23 L HA 0.233 4.574 4.340 0.001 0.000 0.282 23 L C 1.367 178.244 176.870 0.010 0.000 1.051 23 L CA -0.389 54.455 54.840 0.007 0.000 0.804 23 L CB 1.532 43.604 42.059 0.022 0.000 1.197 23 L HN 0.494 nan 8.230 nan 0.000 0.431 24 S N 0.064 115.742 115.700 -0.036 0.000 2.461 24 S HA -0.012 4.458 4.470 0.001 0.000 0.228 24 S C -0.077 174.600 174.600 0.128 0.000 1.005 24 S CA 0.546 58.774 58.200 0.048 0.000 0.942 24 S CB -0.171 63.092 63.200 0.104 0.000 0.776 24 S HN 0.844 nan 8.310 nan 0.000 0.514 25 H N -2.312 116.815 119.070 0.096 0.000 2.948 25 H HA 0.589 5.145 4.556 0.001 0.000 0.315 25 H C -0.383 175.003 175.328 0.096 0.000 1.360 25 H CA -1.110 54.990 56.048 0.087 0.000 1.125 25 H CB 0.522 30.324 29.762 0.068 0.000 1.844 25 H HN -0.203 nan 8.280 nan 0.000 0.529 26 R N 0.355 121.001 120.500 0.244 0.000 2.393 26 R HA 0.312 4.652 4.340 0.001 0.000 0.244 26 R C -0.505 175.923 176.300 0.212 0.000 0.920 26 R CA -0.015 56.163 56.100 0.129 0.000 1.076 26 R CB 0.692 31.003 30.300 0.020 0.000 1.119 26 R HN 0.274 nan 8.270 nan 0.000 0.524 27 V N 2.218 122.399 119.914 0.446 0.000 2.356 27 V HA 0.147 4.267 4.120 0.001 0.000 0.258 27 V C 0.123 176.493 176.094 0.461 0.000 1.065 27 V CA -0.439 62.119 62.300 0.431 0.000 0.935 27 V CB 1.071 33.038 31.823 0.240 0.000 1.061 27 V HN -0.080 nan 8.190 nan 0.000 0.484 28 V N 6.111 126.231 119.914 0.343 0.000 2.481 28 V HA 0.343 4.464 4.120 0.001 0.000 0.286 28 V C 0.069 176.271 176.094 0.180 0.000 1.042 28 V CA -0.720 61.672 62.300 0.154 0.000 0.928 28 V CB 1.795 33.566 31.823 -0.086 0.000 0.986 28 V HN 0.712 nan 8.190 nan 0.000 0.462 29 L N 5.337 126.464 121.223 -0.161 0.000 2.369 29 L HA 0.573 4.913 4.340 0.001 0.000 0.279 29 L C 0.697 177.404 176.870 -0.271 0.000 1.108 29 L CA 0.459 55.016 54.840 -0.472 0.000 0.852 29 L CB 0.177 41.723 42.059 -0.856 0.000 1.169 29 L HN 0.809 nan 8.230 nan 0.000 0.452 30 A N 7.757 130.505 122.820 -0.121 0.000 2.406 30 A HA 0.479 4.800 4.320 0.001 0.000 0.243 30 A C -2.275 175.235 177.584 -0.124 0.000 1.082 30 A CA -1.006 50.975 52.037 -0.092 0.000 0.786 30 A CB -0.716 18.261 19.000 -0.039 0.000 1.029 30 A HN 0.698 nan 8.150 nan 0.000 0.495 31 P HA 0.271 nan 4.420 nan 0.000 0.267 31 P C -1.148 176.066 177.300 -0.143 0.000 1.209 31 P CA 0.560 63.574 63.100 -0.143 0.000 0.763 31 P CB 0.308 31.866 31.700 -0.236 0.000 0.816 32 L N 3.078 124.246 121.223 -0.092 0.000 2.471 32 L HA 0.240 4.580 4.340 0.001 0.000 0.263 32 L C 0.407 177.215 176.870 -0.102 0.000 0.985 32 L CA -0.463 54.305 54.840 -0.120 0.000 0.868 32 L CB 1.654 43.640 42.059 -0.122 0.000 1.203 32 L HN 0.186 nan 8.230 nan 0.000 0.429 33 T N 3.265 117.742 114.554 -0.128 0.000 2.793 33 T HA 0.095 4.446 4.350 0.001 0.000 0.289 33 T C 1.055 175.730 174.700 -0.040 0.000 0.956 33 T CA 0.039 62.084 62.100 -0.092 0.000 1.177 33 T CB 0.297 69.108 68.868 -0.094 0.000 0.897 33 T HN 0.423 nan 8.240 nan 0.000 0.533 34 R N 2.113 122.572 120.500 -0.067 0.000 2.446 34 R HA 0.153 4.493 4.340 0.001 0.000 0.254 34 R C 0.539 176.781 176.300 -0.098 0.000 0.918 34 R CA -0.104 55.919 56.100 -0.129 0.000 1.069 34 R CB 0.118 30.270 30.300 -0.245 0.000 1.194 34 R HN 0.738 nan 8.270 nan 0.000 0.534 35 Q N 0.727 120.504 119.800 -0.038 0.000 2.460 35 Q HA -0.199 4.141 4.340 0.001 0.000 0.311 35 Q C -0.200 175.756 176.000 -0.072 0.000 1.396 35 Q CA 0.657 56.468 55.803 0.014 0.000 0.838 35 Q CB -1.042 27.767 28.738 0.119 0.000 1.140 35 Q HN 0.269 nan 8.270 nan 0.000 0.415 36 R N -0.839 119.525 120.500 -0.227 0.000 2.544 36 R HA 0.132 4.473 4.340 0.001 0.000 0.426 36 R C -0.490 175.451 176.300 -0.599 0.000 0.943 36 R CA -0.053 55.786 56.100 -0.435 0.000 1.162 36 R CB 1.037 30.937 30.300 -0.667 0.000 1.588 36 R HN -0.049 nan 8.270 nan 0.000 0.563 37 S N 1.606 117.080 115.700 -0.376 0.000 3.681 37 S HA 0.210 4.681 4.470 0.001 0.000 0.203 37 S C -0.393 174.091 174.600 -0.194 0.000 1.408 37 S CA -0.537 57.444 58.200 -0.365 0.000 0.942 37 S CB -0.335 62.704 63.200 -0.269 0.000 1.437 37 S HN 0.207 nan 8.310 nan 0.000 0.482 38 Y N 1.169 121.456 120.300 -0.021 0.000 2.954 38 Y HA 0.000 4.551 4.550 0.001 0.000 0.351 38 Y C 1.683 177.584 175.900 0.001 0.000 1.282 38 Y CA 0.450 58.553 58.100 0.005 0.000 1.614 38 Y CB -0.248 38.220 38.460 0.012 0.000 1.183 38 Y HN 0.772 nan 8.280 nan 0.000 0.566 39 G N 2.687 111.612 108.800 0.207 0.000 2.179 39 G HA2 -0.423 3.537 3.960 0.001 0.000 0.257 39 G HA3 -0.423 3.537 3.960 0.001 0.000 0.257 39 G C 0.224 175.195 174.900 0.118 0.000 1.010 39 G CA 0.448 45.638 45.100 0.149 0.000 0.736 39 G HN 1.071 nan 8.290 nan 0.000 0.513 40 N N -3.527 115.218 118.700 0.076 0.000 2.909 40 N HA -0.200 4.541 4.740 0.001 0.000 0.242 40 N C 0.174 175.534 175.510 -0.251 0.000 0.975 40 N CA 0.684 53.717 53.050 -0.029 0.000 0.921 40 N CB -0.993 37.537 38.487 0.072 0.000 1.112 40 N HN 0.722 nan 8.380 nan 0.000 0.581 41 V N 1.026 120.853 119.914 -0.146 0.000 2.383 41 V HA 0.358 4.479 4.120 0.001 0.000 0.275 41 V C -1.900 173.990 176.094 -0.340 0.000 1.036 41 V CA -1.478 60.704 62.300 -0.198 0.000 0.889 41 V CB 1.235 33.027 31.823 -0.053 0.000 0.985 41 V HN -0.141 nan 8.190 nan 0.000 0.459 42 P HA 0.064 nan 4.420 nan 0.000 0.265 42 P C -0.535 176.467 177.300 -0.496 0.000 1.187 42 P CA 0.250 62.926 63.100 -0.707 0.000 0.766 42 P CB 0.396 31.374 31.700 -1.203 0.000 0.820 43 Q N 3.551 123.024 119.800 -0.545 0.000 2.387 43 Q HA 0.294 4.635 4.340 0.001 0.000 0.273 43 Q C -1.888 173.810 176.000 -0.503 0.000 1.089 43 Q CA -2.087 53.356 55.803 -0.600 0.000 0.824 43 Q CB 0.757 28.863 28.738 -1.053 0.000 1.367 43 Q HN 0.197 nan 8.270 nan 0.000 0.443 44 P HA -0.165 nan 4.420 nan 0.000 0.220 44 P C 1.007 178.286 177.300 -0.035 0.000 1.148 44 P CA 1.343 64.372 63.100 -0.119 0.000 0.803 44 P CB 0.019 31.692 31.700 -0.043 0.000 0.782 45 H N -0.802 118.308 119.070 0.066 0.000 2.422 45 H HA -0.029 4.527 4.556 0.001 0.000 0.298 45 H C 1.668 177.139 175.328 0.238 0.000 1.098 45 H CA 1.249 57.386 56.048 0.149 0.000 1.315 45 H CB -0.902 28.959 29.762 0.166 0.000 1.382 45 H HN 0.048 nan 8.280 nan 0.000 0.523 46 A N 1.971 124.932 122.820 0.234 0.000 1.972 46 A HA 0.015 4.335 4.320 0.001 0.000 0.219 46 A C 2.808 180.595 177.584 0.338 0.000 1.169 46 A CA 1.578 53.810 52.037 0.325 0.000 0.635 46 A CB -0.917 18.233 19.000 0.249 0.000 0.810 46 A HN 0.609 nan 8.150 nan 0.000 0.446 47 A N 0.314 123.265 122.820 0.219 0.000 1.917 47 A HA -0.141 4.179 4.320 0.001 0.000 0.219 47 A C 2.011 179.675 177.584 0.132 0.000 1.182 47 A CA 1.774 53.915 52.037 0.174 0.000 0.633 47 A CB -0.516 18.542 19.000 0.097 0.000 0.819 47 A HN 0.436 nan 8.150 nan 0.000 0.448 48 I N -1.730 118.916 120.570 0.128 0.000 2.202 48 I HA -0.210 3.961 4.170 0.001 0.000 0.242 48 I C 2.418 178.558 176.117 0.039 0.000 1.091 48 I CA 1.631 62.986 61.300 0.091 0.000 1.368 48 I CB -1.653 36.414 38.000 0.113 0.000 1.058 48 I HN 0.567 nan 8.210 nan 0.000 0.410 49 Y N 1.535 121.719 120.300 -0.194 0.000 2.070 49 Y HA -0.323 4.227 4.550 0.001 0.000 0.280 49 Y C 2.694 178.385 175.900 -0.348 0.000 1.148 49 Y CA 1.917 59.736 58.100 -0.469 0.000 1.125 49 Y CB -0.792 37.113 38.460 -0.926 0.000 0.975 49 Y HN 0.062 nan 8.280 nan 0.000 0.492 50 Y N -0.880 119.334 120.300 -0.144 0.000 2.263 50 Y HA -0.124 4.427 4.550 0.001 0.000 0.292 50 Y C 3.072 178.792 175.900 -0.299 0.000 1.130 50 Y CA 1.443 59.351 58.100 -0.320 0.000 1.179 50 Y CB -1.109 37.226 38.460 -0.208 0.000 0.998 50 Y HN 0.177 nan 8.280 nan 0.000 0.532 51 S N -0.099 115.582 115.700 -0.032 0.000 2.359 51 S HA -0.283 4.187 4.470 0.001 0.000 0.224 51 S C 1.970 176.571 174.600 0.001 0.000 1.035 51 S CA 1.713 59.893 58.200 -0.033 0.000 1.018 51 S CB -0.268 62.937 63.200 0.009 0.000 0.876 51 S HN 0.553 nan 8.310 nan 0.000 0.448 52 Q N -0.374 119.432 119.800 0.010 0.000 2.234 52 Q HA -0.033 4.308 4.340 0.001 0.000 0.206 52 Q C 1.892 177.940 176.000 0.080 0.000 0.980 52 Q CA 1.127 57.020 55.803 0.150 0.000 0.869 52 Q CB -0.054 28.719 28.738 0.058 0.000 0.912 52 Q HN 0.429 nan 8.270 nan 0.000 0.436 53 R N -0.355 120.084 120.500 -0.102 0.000 2.359 53 R HA 0.112 4.453 4.340 0.001 0.000 0.231 53 R C -0.076 176.230 176.300 0.010 0.000 0.913 53 R CA 0.083 56.138 56.100 -0.075 0.000 1.075 53 R CB 0.735 30.767 30.300 -0.446 0.000 1.087 53 R HN -0.031 nan 8.270 nan 0.000 0.515 54 T N 1.021 115.579 114.554 0.006 0.000 2.882 54 T HA 0.287 4.638 4.350 0.001 0.000 0.287 54 T C 0.186 174.948 174.700 0.103 0.000 0.992 54 T CA -0.284 61.831 62.100 0.025 0.000 1.076 54 T CB 1.607 70.449 68.868 -0.044 0.000 0.961 54 T HN 0.164 nan 8.240 nan 0.000 0.490 55 T N 0.841 115.480 114.554 0.141 0.000 2.906 55 T HA 0.600 4.950 4.350 0.001 0.000 0.295 55 T C -3.191 171.588 174.700 0.131 0.000 1.061 55 T CA -2.594 59.605 62.100 0.164 0.000 1.000 55 T CB 1.556 70.600 68.868 0.294 0.000 1.103 55 T HN 0.117 nan 8.240 nan 0.000 0.486 56 P HA 0.359 nan 4.420 nan 0.000 0.271 56 P C 1.110 178.458 177.300 0.081 0.000 1.233 56 P CA 0.859 64.010 63.100 0.084 0.000 0.764 56 P CB 0.289 32.031 31.700 0.069 0.000 0.825 57 G N 2.390 111.228 108.800 0.063 0.000 2.179 57 G HA2 -0.173 3.787 3.960 0.001 0.000 0.260 57 G HA3 -0.173 3.787 3.960 0.001 0.000 0.260 57 G C 0.585 175.448 174.900 -0.062 0.000 0.977 57 G CA -0.186 44.930 45.100 0.026 0.000 0.641 57 G HN 0.867 nan 8.290 nan 0.000 0.533 58 G N -0.474 108.301 108.800 -0.042 0.000 2.503 58 G HA2 0.528 4.489 3.960 0.001 0.000 0.257 58 G HA3 0.528 4.489 3.960 0.001 0.000 0.257 58 G C -0.413 174.527 174.900 0.066 0.000 1.214 58 G CA -0.313 44.721 45.100 -0.111 0.000 0.839 58 G HN 0.755 nan 8.290 nan 0.000 0.559 59 F N 1.679 121.544 119.950 -0.143 0.000 2.427 59 F HA 0.640 5.167 4.527 0.001 0.000 0.346 59 F C -1.000 174.746 175.800 -0.090 0.000 1.120 59 F CA -1.244 56.666 58.000 -0.150 0.000 1.033 59 F CB 1.234 40.082 39.000 -0.254 0.000 1.126 59 F HN 0.149 nan 8.300 nan 0.000 0.462 60 L N 7.104 128.135 121.223 -0.320 0.000 2.386 60 L HA 0.513 4.853 4.340 0.001 0.000 0.271 60 L C -0.724 175.900 176.870 -0.411 0.000 0.993 60 L CA -0.418 54.221 54.840 -0.336 0.000 0.819 60 L CB 2.032 44.062 42.059 -0.048 0.000 1.294 60 L HN 0.491 nan 8.230 nan 0.000 0.414 61 I N 1.234 121.536 120.570 -0.446 0.000 2.377 61 I HA 0.418 4.589 4.170 0.001 0.000 0.293 61 I C 0.590 176.634 176.117 -0.122 0.000 0.987 61 I CA -0.615 60.487 61.300 -0.330 0.000 1.185 61 I CB 1.996 39.788 38.000 -0.347 0.000 1.341 61 I HN 0.698 nan 8.210 nan 0.000 0.455 62 T N 2.119 116.518 114.554 -0.258 0.000 2.860 62 T HA 0.154 4.505 4.350 0.001 0.000 0.299 62 T C 0.330 175.023 174.700 -0.012 0.000 1.045 62 T CA -0.840 61.206 62.100 -0.089 0.000 1.071 62 T CB 0.629 69.265 68.868 -0.386 0.000 0.985 62 T HN 0.703 nan 8.240 nan 0.000 0.537 63 E N 0.993 121.307 120.200 0.191 0.000 2.492 63 E HA 0.157 4.507 4.350 0.001 0.000 0.266 63 E C 0.296 176.772 176.600 -0.206 0.000 1.047 63 E CA -0.466 55.929 56.400 -0.009 0.000 0.968 63 E CB 0.134 29.885 29.700 0.085 0.000 0.960 63 E HN 0.914 nan 8.360 nan 0.000 0.452 64 A N 2.956 125.474 122.820 -0.503 0.000 2.540 64 A HA 0.173 4.494 4.320 0.001 0.000 0.239 64 A C -0.102 177.127 177.584 -0.591 0.000 1.061 64 A CA 0.313 51.825 52.037 -0.875 0.000 0.758 64 A CB 0.173 17.989 19.000 -1.972 0.000 0.991 64 A HN 0.590 nan 8.150 nan 0.000 0.502 65 T N 1.945 116.324 114.554 -0.292 0.000 2.879 65 T HA 0.561 4.911 4.350 0.001 0.000 0.290 65 T C 0.459 175.377 174.700 0.364 0.000 0.993 65 T CA 0.250 62.424 62.100 0.125 0.000 0.975 65 T CB 1.585 70.481 68.868 0.046 0.000 0.981 65 T HN 1.081 nan 8.240 nan 0.000 0.439 66 G N 0.809 109.911 108.800 0.502 0.000 2.483 66 G HA2 0.390 4.350 3.960 0.001 0.000 0.248 66 G HA3 0.390 4.350 3.960 0.001 0.000 0.248 66 G C 1.185 176.267 174.900 0.304 0.000 1.248 66 G CA -0.499 44.846 45.100 0.409 0.000 0.838 66 G HN 0.784 nan 8.290 nan 0.000 0.566 67 V N -0.685 119.202 119.914 -0.045 0.000 3.608 67 V HA 0.434 4.554 4.120 0.001 0.000 0.269 67 V C 0.818 176.804 176.094 -0.181 0.000 1.245 67 V CA 0.871 63.083 62.300 -0.147 0.000 1.138 67 V CB -1.196 30.226 31.823 -0.669 0.000 0.841 67 V HN 1.217 nan 8.190 nan 0.000 0.451 68 S N -0.336 114.980 115.700 -0.640 0.000 2.627 68 S HA 0.238 4.709 4.470 0.001 0.000 0.268 68 S C -0.012 173.483 174.600 -1.842 0.000 1.130 68 S CA 0.084 57.538 58.200 -1.243 0.000 0.819 68 S CB 0.968 63.855 63.200 -0.522 0.000 1.100 68 S HN 0.346 nan 8.310 nan 0.000 0.465 69 D N 0.649 120.214 120.400 -1.392 0.000 2.350 69 D HA -0.020 4.621 4.640 0.001 0.000 0.216 69 D C 1.425 177.472 176.300 -0.422 0.000 0.968 69 D CA 1.618 55.163 54.000 -0.757 0.000 0.894 69 D CB -0.692 39.986 40.800 -0.203 0.000 0.909 69 D HN 0.788 nan 8.370 nan 0.000 0.520 70 T N -4.667 109.618 114.554 -0.448 0.000 3.040 70 T HA 0.546 4.897 4.350 0.001 0.000 0.266 70 T C 1.607 175.926 174.700 -0.635 0.000 1.005 70 T CA 0.079 61.989 62.100 -0.315 0.000 0.906 70 T CB 0.243 69.043 68.868 -0.113 0.000 1.082 70 T HN 0.123 nan 8.240 nan 0.000 0.531 71 A N 0.662 122.940 122.820 -0.903 0.000 2.239 71 A HA 0.263 4.583 4.320 0.001 0.000 0.209 71 A C 0.876 177.943 177.584 -0.862 0.000 1.171 71 A CA 0.298 51.585 52.037 -1.249 0.000 0.768 71 A CB -0.322 18.211 19.000 -0.778 0.000 0.790 71 A HN 0.507 nan 8.150 nan 0.000 0.478 72 Q N -1.337 118.130 119.800 -0.555 0.000 2.241 72 Q HA 0.570 4.910 4.340 0.001 0.000 0.254 72 Q C 0.722 176.398 176.000 -0.539 0.000 0.917 72 Q CA 0.618 56.148 55.803 -0.455 0.000 0.919 72 Q CB 1.625 30.244 28.738 -0.198 0.000 1.237 72 Q HN 0.205 nan 8.270 nan 0.000 0.434 73 G N 0.923 109.287 108.800 -0.727 0.000 3.695 73 G HA2 0.262 4.222 3.960 0.001 0.000 0.277 73 G HA3 0.262 4.222 3.960 0.001 0.000 0.277 73 G C -0.794 173.226 174.900 -1.467 0.000 1.001 73 G CA 0.162 44.721 45.100 -0.900 0.000 0.837 73 G HN 0.427 nan 8.290 nan 0.000 0.492 74 Y N -0.029 119.657 120.300 -1.023 0.000 2.588 74 Y HA 0.465 5.015 4.550 0.001 0.000 0.343 74 Y C 0.030 175.615 175.900 -0.525 0.000 1.065 74 Y CA -1.299 56.419 58.100 -0.638 0.000 1.038 74 Y CB 1.204 39.600 38.460 -0.106 0.000 1.297 74 Y HN 0.004 nan 8.280 nan 0.000 0.467 75 Q N 0.705 120.604 119.800 0.166 0.000 2.299 75 Q HA 0.237 4.577 4.340 0.001 0.000 0.246 75 Q C -0.891 175.236 176.000 0.213 0.000 0.935 75 Q CA -0.485 55.500 55.803 0.304 0.000 0.887 75 Q CB 0.587 29.545 28.738 0.366 0.000 1.223 75 Q HN 0.611 nan 8.270 nan 0.000 0.439 76 D N 0.414 120.936 120.400 0.204 0.000 2.751 76 D HA -0.142 4.499 4.640 0.001 0.000 0.233 76 D C -0.502 175.848 176.300 0.082 0.000 1.149 76 D CA 1.642 55.731 54.000 0.149 0.000 0.682 76 D CB -1.669 39.248 40.800 0.195 0.000 1.068 76 D HN 0.768 nan 8.370 nan 0.000 0.429 77 T N -2.270 112.361 114.554 0.128 0.000 2.875 77 T HA 0.619 4.970 4.350 0.001 0.000 0.284 77 T C -2.489 172.285 174.700 0.122 0.000 0.995 77 T CA -1.686 60.501 62.100 0.146 0.000 1.060 77 T CB 2.994 72.051 68.868 0.315 0.000 0.967 77 T HN -0.156 nan 8.240 nan 0.000 0.476 78 P HA 0.409 nan 4.420 nan 0.000 0.277 78 P C 0.139 177.484 177.300 0.075 0.000 1.240 78 P CA -0.154 62.919 63.100 -0.046 0.000 0.798 78 P CB 1.058 32.711 31.700 -0.078 0.000 0.979 79 G N 0.657 109.299 108.800 -0.264 0.000 2.521 79 G HA2 0.566 4.526 3.960 0.001 0.000 0.323 79 G HA3 0.566 4.526 3.960 0.001 0.000 0.323 79 G C -0.714 174.184 174.900 -0.003 0.000 1.211 79 G CA -0.797 44.253 45.100 -0.083 0.000 0.979 79 G HN 0.556 nan 8.290 nan 0.000 0.490 80 I N 0.315 121.090 120.570 0.341 0.000 2.944 80 I HA 0.272 4.443 4.170 0.001 0.000 0.330 80 I C 0.446 176.798 176.117 0.392 0.000 1.482 80 I CA -0.710 60.816 61.300 0.376 0.000 0.880 80 I CB 0.088 38.227 38.000 0.233 0.000 1.728 80 I HN 0.741 nan 8.210 nan 0.000 0.561 81 W N 1.595 123.125 121.300 0.384 0.000 3.107 81 W HA 0.369 5.029 4.660 0.001 0.000 0.293 81 W C 0.634 177.196 176.519 0.073 0.000 1.239 81 W CA 0.403 57.849 57.345 0.168 0.000 1.653 81 W CB -0.597 28.927 29.460 0.108 0.000 1.068 81 W HN 0.183 nan 8.180 nan 0.000 0.615 82 T N -1.433 112.849 114.554 -0.453 0.000 2.943 82 T HA 0.352 4.702 4.350 0.001 0.000 0.284 82 T C 0.834 175.411 174.700 -0.205 0.000 1.015 82 T CA -0.633 61.209 62.100 -0.430 0.000 1.042 82 T CB 2.394 70.776 68.868 -0.809 0.000 1.055 82 T HN 0.082 nan 8.240 nan 0.000 0.500 83 K N 0.323 120.652 120.400 -0.119 0.000 2.063 83 K HA -0.171 4.149 4.320 0.001 0.000 0.208 83 K C 2.198 178.758 176.600 -0.067 0.000 1.048 83 K CA 1.723 57.979 56.287 -0.052 0.000 0.928 83 K CB -0.139 32.342 32.500 -0.032 0.000 0.713 83 K HN 0.842 nan 8.250 nan 0.000 0.442 84 E N 0.265 120.373 120.200 -0.153 0.000 2.130 84 E HA -0.243 4.108 4.350 0.001 0.000 0.196 84 E C 1.689 178.259 176.600 -0.050 0.000 0.998 84 E CA 1.467 57.787 56.400 -0.133 0.000 0.806 84 E CB 0.005 29.583 29.700 -0.204 0.000 0.738 84 E HN 0.538 nan 8.360 nan 0.000 0.459 85 H N -0.856 118.145 119.070 -0.116 0.000 2.326 85 H HA -0.087 4.469 4.556 0.001 0.000 0.301 85 H C 2.354 177.755 175.328 0.122 0.000 1.081 85 H CA 1.063 57.067 56.048 -0.073 0.000 1.334 85 H CB 0.212 29.908 29.762 -0.111 0.000 1.385 85 H HN 0.019 nan 8.280 nan 0.000 0.504 86 V N 1.403 121.474 119.914 0.263 0.000 2.231 86 V HA -0.298 3.823 4.120 0.001 0.000 0.250 86 V C 2.259 178.464 176.094 0.185 0.000 1.058 86 V CA 1.977 64.419 62.300 0.237 0.000 1.022 86 V CB -0.342 31.561 31.823 0.133 0.000 0.640 86 V HN 0.482 nan 8.190 nan 0.000 0.445 87 E N -0.009 120.251 120.200 0.099 0.000 2.110 87 E HA -0.158 4.192 4.350 0.001 0.000 0.193 87 E C 2.256 178.890 176.600 0.056 0.000 0.988 87 E CA 1.501 57.938 56.400 0.062 0.000 0.804 87 E CB -0.476 29.239 29.700 0.025 0.000 0.745 87 E HN 0.617 nan 8.360 nan 0.000 0.458 88 A N -0.694 122.149 122.820 0.037 0.000 2.067 88 A HA -0.085 4.235 4.320 0.001 0.000 0.217 88 A C 1.860 179.429 177.584 -0.024 0.000 1.156 88 A CA 0.429 52.442 52.037 -0.041 0.000 0.683 88 A CB -0.714 18.207 19.000 -0.132 0.000 0.808 88 A HN 0.293 nan 8.150 nan 0.000 0.455 89 W N 0.045 121.350 121.300 0.008 0.000 2.640 89 W HA 0.086 4.746 4.660 0.001 0.000 0.268 89 W C 2.104 178.568 176.519 -0.092 0.000 1.263 89 W CA 0.629 57.972 57.345 -0.003 0.000 1.344 89 W CB 0.255 29.742 29.460 0.045 0.000 1.093 89 W HN 0.203 nan 8.180 nan 0.000 0.603 90 K N 0.306 120.802 120.400 0.160 0.000 2.001 90 K HA -0.222 4.098 4.320 0.001 0.000 0.214 90 K C -0.654 175.966 176.600 0.034 0.000 1.050 90 K CA 1.902 58.218 56.287 0.048 0.000 0.934 90 K CB -1.657 30.869 32.500 0.043 0.000 0.718 90 K HN 0.037 nan 8.250 nan 0.000 0.443 91 P HA -0.125 nan 4.420 nan 0.000 0.222 91 P C 1.141 178.471 177.300 0.051 0.000 1.147 91 P CA 1.267 64.389 63.100 0.036 0.000 0.790 91 P CB -0.044 31.673 31.700 0.027 0.000 0.780 92 I N -1.011 119.624 120.570 0.108 0.000 2.233 92 I HA -0.168 4.002 4.170 0.001 0.000 0.243 92 I C 2.429 178.600 176.117 0.090 0.000 1.093 92 I CA 1.067 62.480 61.300 0.188 0.000 1.380 92 I CB -0.822 37.424 38.000 0.409 0.000 1.067 92 I HN -0.221 nan 8.210 nan 0.000 0.413 93 V N 0.894 120.833 119.914 0.042 0.000 2.287 93 V HA -0.322 3.798 4.120 0.001 0.000 0.248 93 V C 2.070 177.988 176.094 -0.294 0.000 1.053 93 V CA 2.074 64.257 62.300 -0.196 0.000 1.027 93 V CB -0.698 30.836 31.823 -0.480 0.000 0.646 93 V HN 0.411 nan 8.190 nan 0.000 0.447 94 D N 0.375 120.713 120.400 -0.104 0.000 2.117 94 D HA -0.118 4.522 4.640 0.001 0.000 0.197 94 D C 2.220 178.512 176.300 -0.012 0.000 0.987 94 D CA 1.640 55.634 54.000 -0.010 0.000 0.829 94 D CB -0.383 40.433 40.800 0.026 0.000 0.961 94 D HN 0.449 nan 8.370 nan 0.000 0.460 95 A N 0.453 123.251 122.820 -0.036 0.000 1.972 95 A HA -0.118 4.202 4.320 0.001 0.000 0.219 95 A C 2.480 180.016 177.584 -0.079 0.000 1.169 95 A CA 1.030 53.049 52.037 -0.030 0.000 0.635 95 A CB -0.515 18.481 19.000 -0.008 0.000 0.810 95 A HN 0.153 nan 8.150 nan 0.000 0.446 96 V N -0.671 119.118 119.914 -0.209 0.000 2.346 96 V HA -0.172 3.948 4.120 0.001 0.000 0.244 96 V C 2.386 178.438 176.094 -0.070 0.000 1.037 96 V CA 1.905 64.025 62.300 -0.300 0.000 1.029 96 V CB -0.983 30.353 31.823 -0.811 0.000 0.663 96 V HN 0.645 nan 8.190 nan 0.000 0.454 97 H N 0.813 119.853 119.070 -0.050 0.000 2.394 97 H HA -0.152 4.405 4.556 0.001 0.000 0.297 97 H C 2.341 177.672 175.328 0.005 0.000 1.113 97 H CA 1.609 57.660 56.048 0.005 0.000 1.277 97 H CB -0.855 28.923 29.762 0.027 0.000 1.370 97 H HN 0.447 nan 8.280 nan 0.000 0.506 98 A N 0.918 123.806 122.820 0.113 0.000 1.978 98 A HA -0.170 4.151 4.320 0.001 0.000 0.220 98 A C 1.978 179.590 177.584 0.048 0.000 1.170 98 A CA 1.652 53.728 52.037 0.064 0.000 0.636 98 A CB -0.201 18.821 19.000 0.036 0.000 0.810 98 A HN 0.375 nan 8.150 nan 0.000 0.448 99 K N -1.542 118.883 120.400 0.041 0.000 2.397 99 K HA 0.317 4.638 4.320 0.001 0.000 0.202 99 K C 0.794 177.427 176.600 0.055 0.000 1.022 99 K CA 0.385 56.693 56.287 0.036 0.000 1.141 99 K CB 0.171 32.684 32.500 0.021 0.000 0.857 99 K HN 0.598 nan 8.250 nan 0.000 0.514 100 G N 1.209 110.057 108.800 0.080 0.000 2.136 100 G HA2 -0.245 3.715 3.960 0.001 0.000 0.242 100 G HA3 -0.245 3.715 3.960 0.001 0.000 0.242 100 G C 0.380 175.348 174.900 0.114 0.000 0.989 100 G CA -0.196 44.959 45.100 0.091 0.000 0.682 100 G HN 0.475 nan 8.290 nan 0.000 0.522 101 G N -0.582 108.292 108.800 0.123 0.000 2.491 101 G HA2 0.531 4.491 3.960 0.001 0.000 0.242 101 G HA3 0.531 4.491 3.960 0.001 0.000 0.242 101 G C -0.025 175.032 174.900 0.262 0.000 1.266 101 G CA -0.325 44.855 45.100 0.133 0.000 0.844 101 G HN 0.531 nan 8.290 nan 0.000 0.571 102 I N 1.083 121.805 120.570 0.253 0.000 2.353 102 I HA 0.377 4.547 4.170 0.001 0.000 0.293 102 I C -0.668 175.762 176.117 0.522 0.000 0.992 102 I CA -0.417 61.072 61.300 0.314 0.000 1.268 102 I CB 1.466 39.472 38.000 0.009 0.000 1.387 102 I HN 0.278 nan 8.210 nan 0.000 0.478 103 F N 7.625 127.807 119.950 0.388 0.000 2.612 103 F HA 0.563 5.090 4.527 0.001 0.000 0.332 103 F C -1.522 174.609 175.800 0.551 0.000 1.167 103 F CA -1.285 56.903 58.000 0.312 0.000 0.970 103 F CB 0.870 39.931 39.000 0.102 0.000 1.234 103 F HN 0.089 nan 8.300 nan 0.000 0.453 104 F N 4.550 124.498 119.950 -0.004 0.000 2.443 104 F HA 0.394 4.922 4.527 0.001 0.000 0.335 104 F C 0.055 175.409 175.800 -0.744 0.000 1.104 104 F CA -1.518 56.364 58.000 -0.197 0.000 1.013 104 F CB 1.287 40.358 39.000 0.118 0.000 1.136 104 F HN 0.480 nan 8.300 nan 0.000 0.470 105 C N 5.359 124.043 119.300 -1.027 0.000 2.303 105 C HA 0.335 4.796 4.460 0.001 0.000 0.341 105 C C 0.193 174.783 174.990 -0.666 0.000 1.244 105 C CA -0.473 57.699 59.018 -1.409 0.000 1.765 105 C CB -0.746 25.716 27.740 -2.131 0.000 2.379 105 C HN 0.817 nan 8.230 nan 0.000 0.530 106 Q N 5.727 125.239 119.800 -0.480 0.000 2.288 106 Q HA 0.509 4.850 4.340 0.001 0.000 0.258 106 Q C -0.471 175.400 176.000 -0.215 0.000 0.957 106 Q CA -0.120 55.527 55.803 -0.261 0.000 0.919 106 Q CB 0.677 29.266 28.738 -0.248 0.000 1.185 106 Q HN 0.872 nan 8.270 nan 0.000 0.408 107 I N 2.328 122.873 120.570 -0.042 0.000 2.433 107 I HA 0.679 4.849 4.170 0.001 0.000 0.292 107 I C -0.955 175.398 176.117 0.395 0.000 1.001 107 I CA -0.892 60.457 61.300 0.082 0.000 1.119 107 I CB 1.000 39.013 38.000 0.021 0.000 1.289 107 I HN 0.611 nan 8.210 nan 0.000 0.438 108 W N 5.399 126.778 121.300 0.131 0.000 3.040 108 W HA 0.650 5.310 4.660 0.001 0.000 0.344 108 W C -2.094 174.468 176.519 0.072 0.000 1.201 108 W CA -1.299 56.184 57.345 0.231 0.000 1.119 108 W CB 0.317 29.834 29.460 0.096 0.000 1.478 108 W HN 0.732 nan 8.180 nan 0.000 0.586 109 H N 1.801 120.963 119.070 0.154 0.000 2.877 109 H HA 0.288 4.844 4.556 0.001 0.000 0.347 109 H C 0.614 175.771 175.328 -0.285 0.000 1.042 109 H CA -0.039 55.896 56.048 -0.188 0.000 1.276 109 H CB 2.633 32.456 29.762 0.100 0.000 1.681 109 H HN 0.447 nan 8.280 nan 0.000 0.521 110 V N 2.874 122.433 119.914 -0.591 0.000 2.809 110 V HA 0.171 4.291 4.120 0.001 0.000 0.256 110 V C 1.414 177.566 176.094 0.097 0.000 1.080 110 V CA 1.464 63.544 62.300 -0.367 0.000 1.102 110 V CB -1.025 30.408 31.823 -0.650 0.000 0.705 110 V HN 1.030 nan 8.190 nan 0.000 0.475 111 G N 2.313 111.277 108.800 0.274 0.000 2.583 111 G HA2 -0.465 3.496 3.960 0.001 0.000 0.292 111 G HA3 -0.465 3.496 3.960 0.001 0.000 0.292 111 G C 0.973 175.910 174.900 0.062 0.000 1.203 111 G CA 1.473 46.702 45.100 0.214 0.000 0.987 111 G HN 1.037 nan 8.290 nan 0.000 0.554 112 R N -0.003 120.496 120.500 -0.001 0.000 2.285 112 R HA 0.193 4.533 4.340 0.001 0.000 0.213 112 R C 1.136 177.380 176.300 -0.092 0.000 1.068 112 R CA 1.424 57.492 56.100 -0.054 0.000 1.004 112 R CB -0.337 29.899 30.300 -0.107 0.000 0.873 112 R HN 0.507 nan 8.270 nan 0.000 0.467 113 V N 1.601 121.460 119.914 -0.092 0.000 1.973 113 V HA 0.161 4.281 4.120 0.001 0.000 0.255 113 V C 0.031 176.117 176.094 -0.012 0.000 1.605 113 V CA 0.091 62.311 62.300 -0.133 0.000 1.542 113 V CB -0.419 31.413 31.823 0.015 0.000 1.504 113 V HN 0.412 nan 8.190 nan 0.000 0.505 114 S N 2.375 118.172 115.700 0.161 0.000 2.655 114 S HA 0.547 5.017 4.470 0.001 0.000 0.266 114 S C -1.468 173.282 174.600 0.249 0.000 1.149 114 S CA -0.672 57.605 58.200 0.128 0.000 0.818 114 S CB 1.841 65.037 63.200 -0.006 0.000 1.130 114 S HN 0.815 nan 8.310 nan 0.000 0.476 115 N N -0.660 118.192 118.700 0.254 0.000 2.571 115 N HA 0.308 5.049 4.740 0.001 0.000 0.273 115 N C 0.731 176.266 175.510 0.043 0.000 1.340 115 N CA -0.135 52.977 53.050 0.104 0.000 0.789 115 N CB 1.356 39.836 38.487 -0.011 0.000 1.514 115 N HN 0.564 nan 8.380 nan 0.000 0.499 116 S N -0.544 115.145 115.700 -0.019 0.000 2.400 116 S HA -0.106 4.365 4.470 0.001 0.000 0.232 116 S C 1.921 176.472 174.600 -0.082 0.000 1.025 116 S CA 1.303 59.482 58.200 -0.036 0.000 0.993 116 S CB -1.113 62.062 63.200 -0.040 0.000 0.808 116 S HN 0.789 nan 8.310 nan 0.000 0.478 117 G N -0.013 108.678 108.800 -0.182 0.000 2.470 117 G HA2 -0.017 3.943 3.960 0.001 0.000 0.220 117 G HA3 -0.017 3.943 3.960 0.001 0.000 0.220 117 G C 0.804 175.465 174.900 -0.398 0.000 1.121 117 G CA 0.460 45.372 45.100 -0.314 0.000 0.766 117 G HN 0.583 nan 8.290 nan 0.000 0.553 118 F N 0.099 120.025 119.950 -0.041 0.000 2.727 118 F HA 0.344 4.871 4.527 0.001 0.000 0.302 118 F C 1.028 176.800 175.800 -0.047 0.000 1.097 118 F CA -0.266 57.710 58.000 -0.040 0.000 1.330 118 F CB 0.358 39.314 39.000 -0.073 0.000 1.084 118 F HN -0.019 nan 8.300 nan 0.000 0.578 119 Q N 0.716 120.567 119.800 0.084 0.000 2.266 119 Q HA 0.365 4.705 4.340 0.001 0.000 0.261 119 Q C -2.455 173.557 176.000 0.021 0.000 0.985 119 Q CA -2.501 53.325 55.803 0.037 0.000 0.873 119 Q CB 1.080 29.828 28.738 0.016 0.000 1.306 119 Q HN -0.048 nan 8.270 nan 0.000 0.447 120 P HA 0.087 nan 4.420 nan 0.000 0.268 120 P C -0.387 176.918 177.300 0.008 0.000 1.205 120 P CA 0.087 63.198 63.100 0.019 0.000 0.771 120 P CB 0.445 32.154 31.700 0.016 0.000 0.858 121 N N 1.696 120.401 118.700 0.008 0.000 2.800 121 N HA -0.183 4.558 4.740 0.001 0.000 0.250 121 N C 0.866 176.371 175.510 -0.008 0.000 1.078 121 N CA 1.543 54.593 53.050 0.000 0.000 0.804 121 N CB -2.152 36.335 38.487 0.001 0.000 1.135 121 N HN 0.871 nan 8.380 nan 0.000 0.565 122 G N -0.195 108.597 108.800 -0.013 0.000 2.296 122 G HA2 -0.402 3.559 3.960 0.001 0.000 0.282 122 G HA3 -0.402 3.559 3.960 0.001 0.000 0.282 122 G C 0.222 175.111 174.900 -0.018 0.000 1.014 122 G CA 1.305 46.391 45.100 -0.023 0.000 0.812 122 G HN 0.629 nan 8.290 nan 0.000 0.508 123 K N -0.049 120.345 120.400 -0.011 0.000 2.138 123 K HA 0.634 4.955 4.320 0.001 0.000 0.251 123 K C 1.174 177.771 176.600 -0.006 0.000 1.015 123 K CA -0.135 56.146 56.287 -0.009 0.000 0.917 123 K CB 0.579 33.075 32.500 -0.007 0.000 1.021 123 K HN 0.510 nan 8.250 nan 0.000 0.485 124 A N 2.622 125.438 122.820 -0.007 0.000 2.520 124 A HA 0.141 4.462 4.320 0.001 0.000 0.235 124 A C -2.181 175.406 177.584 0.005 0.000 1.065 124 A CA -0.803 51.232 52.037 -0.003 0.000 0.764 124 A CB -0.522 18.472 19.000 -0.009 0.000 1.002 124 A HN 0.382 nan 8.150 nan 0.000 0.502 125 P HA 0.268 nan 4.420 nan 0.000 0.270 125 P C -0.440 176.868 177.300 0.013 0.000 1.223 125 P CA 0.167 63.280 63.100 0.023 0.000 0.785 125 P CB 0.368 32.087 31.700 0.031 0.000 0.923 126 I N -1.894 118.697 120.570 0.034 0.000 2.648 126 I HA 0.836 5.006 4.170 0.001 0.000 0.304 126 I C -0.104 176.002 176.117 -0.018 0.000 1.009 126 I CA -0.549 60.752 61.300 0.002 0.000 1.114 126 I CB 2.300 40.306 38.000 0.010 0.000 1.293 126 I HN 0.188 nan 8.210 nan 0.000 0.449 127 S N 1.629 117.275 115.700 -0.090 0.000 2.643 127 S HA 0.306 4.776 4.470 0.001 0.000 0.270 127 S C 0.639 175.039 174.600 -0.333 0.000 1.166 127 S CA -0.248 57.856 58.200 -0.160 0.000 0.815 127 S CB 1.042 64.147 63.200 -0.159 0.000 1.139 127 S HN 1.042 nan 8.310 nan 0.000 0.472 128 C N 1.454 120.351 119.300 -0.672 0.000 2.432 128 C HA 0.409 4.870 4.460 0.001 0.000 0.282 128 C C 1.240 175.899 174.990 -0.552 0.000 1.388 128 C CA 0.563 58.909 59.018 -1.120 0.000 1.777 128 C CB -2.155 24.483 27.740 -1.837 0.000 1.882 128 C HN 0.824 nan 8.230 nan 0.000 0.520 129 S N 0.660 116.138 115.700 -0.370 0.000 2.806 129 S HA 0.531 5.001 4.470 0.001 0.000 0.306 129 S C -0.339 174.161 174.600 -0.166 0.000 1.167 129 S CA 0.272 58.329 58.200 -0.238 0.000 0.847 129 S CB 1.337 64.409 63.200 -0.214 0.000 1.216 129 S HN 0.468 nan 8.310 nan 0.000 0.532 130 D N -0.590 119.736 120.400 -0.124 0.000 2.427 130 D HA 0.154 4.795 4.640 0.001 0.000 0.224 130 D C -0.256 175.994 176.300 -0.084 0.000 1.157 130 D CA -0.337 53.607 54.000 -0.092 0.000 0.828 130 D CB -0.277 40.480 40.800 -0.072 0.000 0.974 130 D HN 0.411 nan 8.370 nan 0.000 0.498 131 K N 2.499 122.839 120.400 -0.100 0.000 2.412 131 K HA 0.154 4.475 4.320 0.001 0.000 0.284 131 K C -2.200 174.350 176.600 -0.083 0.000 1.046 131 K CA -1.201 55.033 56.287 -0.088 0.000 0.999 131 K CB 0.733 33.174 32.500 -0.099 0.000 0.941 131 K HN 0.203 nan 8.250 nan 0.000 0.474 132 P HA 0.026 nan 4.420 nan 0.000 0.275 132 P C -0.939 176.321 177.300 -0.066 0.000 1.228 132 P CA -0.550 62.523 63.100 -0.045 0.000 0.786 132 P CB 0.708 32.395 31.700 -0.021 0.000 0.927 133 L N 4.662 125.839 121.223 -0.076 0.000 2.296 133 L HA 0.371 4.712 4.340 0.001 0.000 0.286 133 L C 0.601 177.438 176.870 -0.054 0.000 1.023 133 L CA -0.375 54.361 54.840 -0.174 0.000 0.812 133 L CB 0.159 41.960 42.059 -0.430 0.000 1.223 133 L HN 0.426 nan 8.230 nan 0.000 0.421 134 M N 6.224 125.795 119.600 -0.049 0.000 2.259 134 M HA -0.182 4.299 4.480 0.001 0.000 0.188 134 M C -1.485 174.869 176.300 0.090 0.000 0.665 134 M CA 0.161 55.490 55.300 0.047 0.000 0.464 134 M CB -0.992 31.687 32.600 0.131 0.000 1.063 134 M HN 0.517 nan 8.290 nan 0.000 0.912 135 P HA -0.251 nan 4.420 nan 0.000 0.217 135 P C 1.481 178.800 177.300 0.032 0.000 1.148 135 P CA 1.662 64.783 63.100 0.036 0.000 0.828 135 P CB -0.280 31.426 31.700 0.010 0.000 0.783 136 Q N -0.019 119.798 119.800 0.029 0.000 2.364 136 Q HA -0.087 4.253 4.340 0.001 0.000 0.209 136 Q C 0.758 176.774 176.000 0.026 0.000 0.977 136 Q CA 0.910 56.727 55.803 0.023 0.000 0.885 136 Q CB -0.762 27.988 28.738 0.020 0.000 0.941 136 Q HN 0.328 nan 8.270 nan 0.000 0.464 137 I N 2.690 123.286 120.570 0.044 0.000 2.312 137 I HA 0.276 4.446 4.170 0.001 0.000 0.290 137 I C -0.245 175.869 176.117 -0.004 0.000 1.008 137 I CA -0.762 60.555 61.300 0.029 0.000 1.226 137 I CB 1.007 39.041 38.000 0.056 0.000 1.371 137 I HN -0.040 nan 8.210 nan 0.000 0.468 138 R N 3.706 124.192 120.500 -0.023 0.000 2.720 138 R HA 0.496 4.836 4.340 0.001 0.000 0.272 138 R C -0.338 175.923 176.300 -0.065 0.000 0.991 138 R CA -0.698 55.374 56.100 -0.046 0.000 1.010 138 R CB 1.062 31.344 30.300 -0.031 0.000 1.141 138 R HN 0.523 nan 8.270 nan 0.000 0.494 139 S N 1.099 116.749 115.700 -0.083 0.000 2.579 139 S HA 0.047 4.517 4.470 0.001 0.000 0.275 139 S C 0.236 174.804 174.600 -0.053 0.000 1.345 139 S CA -0.756 57.396 58.200 -0.081 0.000 1.031 139 S CB 0.227 63.369 63.200 -0.095 0.000 0.892 139 S HN 0.489 nan 8.310 nan 0.000 0.529 140 N N 1.780 120.454 118.700 -0.044 0.000 2.211 140 N HA -0.061 4.680 4.740 0.001 0.000 0.283 140 N C 1.250 176.742 175.510 -0.029 0.000 1.393 140 N CA 1.355 54.386 53.050 -0.031 0.000 0.954 140 N CB -0.426 38.046 38.487 -0.026 0.000 1.349 140 N HN 0.981 nan 8.380 nan 0.000 0.491 141 G N 2.890 111.675 108.800 -0.025 0.000 4.391 141 G HA2 -0.311 3.650 3.960 0.001 0.000 0.210 141 G HA3 -0.311 3.650 3.960 0.001 0.000 0.210 141 G C 0.152 175.038 174.900 -0.024 0.000 1.547 141 G CA -0.003 45.083 45.100 -0.022 0.000 1.103 141 G HN 0.550 nan 8.290 nan 0.000 0.637 142 I N 3.292 123.844 120.570 -0.030 0.000 2.880 142 I HA 0.266 4.437 4.170 0.001 0.000 0.296 142 I C 1.276 177.377 176.117 -0.028 0.000 1.220 142 I CA 0.838 62.120 61.300 -0.030 0.000 1.435 142 I CB 0.464 38.442 38.000 -0.037 0.000 1.339 142 I HN 0.492 nan 8.210 nan 0.000 0.583 143 D N 3.220 123.607 120.400 -0.023 0.000 2.355 143 D HA -0.120 4.520 4.640 0.001 0.000 0.253 143 D C 0.346 176.633 176.300 -0.022 0.000 1.187 143 D CA 0.083 54.072 54.000 -0.020 0.000 0.900 143 D CB -0.214 40.577 40.800 -0.016 0.000 0.915 143 D HN 0.715 nan 8.370 nan 0.000 0.516 144 E N 0.481 120.663 120.200 -0.030 0.000 2.156 144 E HA 0.430 4.780 4.350 0.001 0.000 0.279 144 E C -0.502 176.074 176.600 -0.039 0.000 0.965 144 E CA -0.984 55.396 56.400 -0.033 0.000 0.789 144 E CB 1.189 30.866 29.700 -0.039 0.000 1.098 144 E HN 0.192 nan 8.360 nan 0.000 0.397 145 A N 4.318 127.122 122.820 -0.026 0.000 2.587 145 A HA -0.077 4.244 4.320 0.001 0.000 0.235 145 A C 0.927 178.473 177.584 -0.062 0.000 1.044 145 A CA 0.047 52.073 52.037 -0.018 0.000 0.754 145 A CB 0.173 19.184 19.000 0.018 0.000 0.968 145 A HN 0.834 nan 8.150 nan 0.000 0.509 146 L N 2.455 123.607 121.223 -0.119 0.000 2.109 146 L HA 0.219 4.559 4.340 0.001 0.000 0.207 146 L C 0.352 176.987 176.870 -0.391 0.000 1.086 146 L CA 1.399 56.058 54.840 -0.302 0.000 0.760 146 L CB -0.202 41.590 42.059 -0.445 0.000 0.910 146 L HN 0.544 nan 8.230 nan 0.000 0.437 147 F N 0.917 120.848 119.950 -0.032 0.000 2.308 147 F HA 0.306 4.834 4.527 0.001 0.000 0.370 147 F C 0.618 176.395 175.800 -0.038 0.000 1.100 147 F CA -0.933 57.044 58.000 -0.038 0.000 1.108 147 F CB 0.641 39.610 39.000 -0.051 0.000 1.293 147 F HN -0.284 nan 8.300 nan 0.000 0.478 148 T N 5.375 120.003 114.554 0.122 0.000 2.792 148 T HA 0.056 4.406 4.350 0.001 0.000 0.286 148 T C -2.257 172.476 174.700 0.054 0.000 0.970 148 T CA -0.852 61.279 62.100 0.052 0.000 1.187 148 T CB -0.001 68.882 68.868 0.025 0.000 0.915 148 T HN 0.181 nan 8.240 nan 0.000 0.529 149 P HA 0.092 nan 4.420 nan 0.000 0.265 149 P C -2.279 175.017 177.300 -0.005 0.000 1.187 149 P CA -0.924 62.182 63.100 0.009 0.000 0.766 149 P CB -0.087 31.611 31.700 -0.004 0.000 0.820 150 P HA 0.276 nan 4.420 nan 0.000 0.284 150 P C -0.713 176.560 177.300 -0.046 0.000 1.258 150 P CA -0.666 62.415 63.100 -0.033 0.000 0.824 150 P CB 0.976 32.644 31.700 -0.054 0.000 1.038 151 R N 2.046 122.520 120.500 -0.042 0.000 2.298 151 R HA 0.182 4.523 4.340 0.001 0.000 0.310 151 R C 0.531 176.786 176.300 -0.075 0.000 1.068 151 R CA -0.576 55.495 56.100 -0.050 0.000 0.957 151 R CB 0.337 30.615 30.300 -0.037 0.000 1.003 151 R HN 0.422 nan 8.270 nan 0.000 0.454 152 R N 5.478 125.926 120.500 -0.086 0.000 2.404 152 R HA 0.033 4.374 4.340 0.001 0.000 0.315 152 R C -0.476 175.764 176.300 -0.100 0.000 1.032 152 R CA -0.186 55.845 56.100 -0.115 0.000 0.992 152 R CB 0.243 30.480 30.300 -0.106 0.000 0.959 152 R HN 0.606 nan 8.270 nan 0.000 0.428 153 L N 4.264 125.414 121.223 -0.121 0.000 2.559 153 L HA 0.054 4.395 4.340 0.001 0.000 0.274 153 L C 1.265 178.086 176.870 -0.082 0.000 1.205 153 L CA 0.255 55.038 54.840 -0.096 0.000 0.907 153 L CB 0.475 42.474 42.059 -0.100 0.000 1.153 153 L HN 0.799 nan 8.230 nan 0.000 0.490 154 G N 3.018 111.783 108.800 -0.058 0.000 2.441 154 G HA2 0.095 4.055 3.960 0.001 0.000 0.243 154 G HA3 0.095 4.055 3.960 0.001 0.000 0.243 154 G C 0.951 175.822 174.900 -0.049 0.000 1.281 154 G CA -0.455 44.621 45.100 -0.041 0.000 0.854 154 G HN 0.851 nan 8.290 nan 0.000 0.560 155 I N 0.616 121.173 120.570 -0.022 0.000 2.423 155 I HA -0.151 4.020 4.170 0.001 0.000 0.254 155 I C 2.394 178.508 176.117 -0.005 0.000 1.151 155 I CA 1.254 62.547 61.300 -0.012 0.000 1.421 155 I CB 0.083 38.142 38.000 0.097 0.000 1.079 155 I HN 0.701 nan 8.210 nan 0.000 0.431 156 E N 0.477 120.680 120.200 0.005 0.000 2.333 156 E HA -0.234 4.116 4.350 0.001 0.000 0.198 156 E C 1.456 178.051 176.600 -0.008 0.000 1.007 156 E CA 1.146 57.551 56.400 0.008 0.000 0.845 156 E CB 0.029 29.736 29.700 0.011 0.000 0.766 156 E HN 0.699 nan 8.360 nan 0.000 0.507 157 E N -0.137 120.044 120.200 -0.031 0.000 2.474 157 E HA 0.019 4.370 4.350 0.001 0.000 0.194 157 E C 1.825 178.392 176.600 -0.055 0.000 1.041 157 E CA 0.063 56.441 56.400 -0.036 0.000 0.874 157 E CB 0.188 29.863 29.700 -0.040 0.000 0.914 157 E HN 0.283 nan 8.360 nan 0.000 0.498 158 I N 1.725 122.233 120.570 -0.103 0.000 2.233 158 I HA -0.108 4.063 4.170 0.001 0.000 0.243 158 I C -0.629 175.472 176.117 -0.026 0.000 1.093 158 I CA 0.616 61.822 61.300 -0.157 0.000 1.380 158 I CB -1.145 36.558 38.000 -0.494 0.000 1.067 158 I HN 0.001 nan 8.210 nan 0.000 0.413 159 P HA -0.150 nan 4.420 nan 0.000 0.217 159 P C 1.367 178.693 177.300 0.043 0.000 1.148 159 P CA 1.531 64.662 63.100 0.050 0.000 0.828 159 P CB -0.225 31.511 31.700 0.059 0.000 0.783 160 G N -1.878 106.941 108.800 0.031 0.000 3.088 160 G HA2 0.020 3.980 3.960 0.001 0.000 0.212 160 G HA3 0.020 3.980 3.960 0.001 0.000 0.212 160 G C 1.151 176.077 174.900 0.044 0.000 1.173 160 G CA 0.039 45.159 45.100 0.034 0.000 0.779 160 G HN 0.253 nan 8.290 nan 0.000 0.540 161 I N -0.687 119.923 120.570 0.067 0.000 3.445 161 I HA 0.054 4.225 4.170 0.001 0.000 0.288 161 I C 2.354 178.603 176.117 0.219 0.000 1.198 161 I CA 0.170 61.544 61.300 0.124 0.000 1.417 161 I CB 0.483 38.542 38.000 0.099 0.000 1.205 161 I HN -0.056 nan 8.210 nan 0.000 0.448 162 V N 1.492 121.486 119.914 0.134 0.000 2.490 162 V HA -0.268 3.853 4.120 0.001 0.000 0.250 162 V C 2.205 178.344 176.094 0.074 0.000 1.061 162 V CA 1.968 64.278 62.300 0.016 0.000 1.064 162 V CB -0.836 30.950 31.823 -0.062 0.000 0.670 162 V HN 0.536 nan 8.190 nan 0.000 0.461 163 N N -0.053 118.694 118.700 0.078 0.000 2.309 163 N HA -0.184 4.557 4.740 0.001 0.000 0.182 163 N C 1.464 177.029 175.510 0.090 0.000 1.018 163 N CA 1.206 54.299 53.050 0.072 0.000 0.876 163 N CB -0.022 38.496 38.487 0.053 0.000 0.972 163 N HN 0.456 nan 8.380 nan 0.000 0.434 164 D N -0.018 120.449 120.400 0.111 0.000 2.117 164 D HA -0.106 4.535 4.640 0.001 0.000 0.198 164 D C 1.539 177.857 176.300 0.029 0.000 0.982 164 D CA 0.816 54.849 54.000 0.055 0.000 0.828 164 D CB -0.310 40.500 40.800 0.017 0.000 0.967 164 D HN 0.281 nan 8.370 nan 0.000 0.464 165 F N 0.854 120.800 119.950 -0.005 0.000 2.234 165 F HA -0.025 4.503 4.527 0.001 0.000 0.299 165 F C 2.527 178.309 175.800 -0.031 0.000 1.087 165 F CA 0.607 58.595 58.000 -0.020 0.000 1.340 165 F CB -0.156 38.795 39.000 -0.083 0.000 1.031 165 F HN -0.161 nan 8.300 nan 0.000 0.500 166 R N 0.463 121.049 120.500 0.144 0.000 2.075 166 R HA -0.155 4.186 4.340 0.001 0.000 0.232 166 R C 2.144 178.476 176.300 0.052 0.000 1.126 166 R CA 1.327 57.467 56.100 0.067 0.000 0.963 166 R CB -0.524 29.801 30.300 0.042 0.000 0.858 166 R HN 0.369 nan 8.270 nan 0.000 0.435 167 L N 0.186 121.445 121.223 0.060 0.000 2.072 167 L HA 0.069 4.410 4.340 0.001 0.000 0.205 167 L C 2.326 179.232 176.870 0.060 0.000 1.079 167 L CA 1.713 56.588 54.840 0.059 0.000 0.752 167 L CB -0.393 41.709 42.059 0.072 0.000 0.906 167 L HN 0.273 nan 8.230 nan 0.000 0.436 168 A N -0.103 122.747 122.820 0.051 0.000 1.948 168 A HA -0.235 4.086 4.320 0.001 0.000 0.220 168 A C 2.447 180.027 177.584 -0.008 0.000 1.177 168 A CA 1.910 53.969 52.037 0.036 0.000 0.636 168 A CB -1.158 17.831 19.000 -0.018 0.000 0.815 168 A HN 0.590 nan 8.150 nan 0.000 0.449 169 A N -0.154 122.659 122.820 -0.011 0.000 1.902 169 A HA -0.168 4.152 4.320 0.001 0.000 0.217 169 A C 2.170 179.736 177.584 -0.029 0.000 1.181 169 A CA 2.205 54.214 52.037 -0.046 0.000 0.623 169 A CB -0.460 18.519 19.000 -0.034 0.000 0.818 169 A HN 0.526 nan 8.150 nan 0.000 0.443 170 R N 0.634 121.137 120.500 0.004 0.000 2.083 170 R HA -0.132 4.208 4.340 0.001 0.000 0.237 170 R C 1.509 177.827 176.300 0.030 0.000 1.137 170 R CA 2.242 58.353 56.100 0.017 0.000 0.951 170 R CB -0.675 29.643 30.300 0.030 0.000 0.851 170 R HN 0.525 nan 8.270 nan 0.000 0.434 171 N N 0.272 118.999 118.700 0.044 0.000 2.381 171 N HA -0.042 4.698 4.740 0.001 0.000 0.182 171 N C 1.325 176.879 175.510 0.074 0.000 1.025 171 N CA 1.270 54.361 53.050 0.069 0.000 0.888 171 N CB -0.325 38.223 38.487 0.102 0.000 0.965 171 N HN 0.400 nan 8.380 nan 0.000 0.438 172 A N 1.098 123.935 122.820 0.028 0.000 1.873 172 A HA -0.093 4.228 4.320 0.001 0.000 0.215 172 A C 2.102 179.770 177.584 0.140 0.000 1.186 172 A CA 1.205 53.288 52.037 0.077 0.000 0.616 172 A CB -0.330 18.575 19.000 -0.159 0.000 0.823 172 A HN 0.050 nan 8.150 nan 0.000 0.442 173 M N -0.235 119.395 119.600 0.051 0.000 2.073 173 M HA -0.183 4.297 4.480 0.001 0.000 0.258 173 M C 1.910 178.241 176.300 0.051 0.000 1.070 173 M CA 1.655 56.983 55.300 0.047 0.000 1.103 173 M CB -1.780 30.833 32.600 0.021 0.000 1.321 173 M HN 0.534 nan 8.290 nan 0.000 0.405 174 E N -0.020 120.210 120.200 0.050 0.000 2.114 174 E HA -0.184 4.167 4.350 0.001 0.000 0.199 174 E C 1.845 178.472 176.600 0.045 0.000 1.008 174 E CA 1.516 57.944 56.400 0.048 0.000 0.810 174 E CB -0.119 29.614 29.700 0.056 0.000 0.739 174 E HN 0.544 nan 8.360 nan 0.000 0.456 175 A N -0.316 122.534 122.820 0.049 0.000 2.167 175 A HA 0.151 4.472 4.320 0.001 0.000 0.214 175 A C 1.705 179.222 177.584 -0.111 0.000 1.151 175 A CA 1.073 53.107 52.037 -0.005 0.000 0.735 175 A CB -0.127 18.886 19.000 0.020 0.000 0.802 175 A HN 0.384 nan 8.150 nan 0.000 0.467 176 G N -2.160 106.613 108.800 -0.046 0.000 2.141 176 G HA2 -0.229 3.732 3.960 0.001 0.000 0.231 176 G HA3 -0.229 3.732 3.960 0.001 0.000 0.231 176 G C 0.049 174.983 174.900 0.056 0.000 0.984 176 G CA -0.094 45.013 45.100 0.012 0.000 0.660 176 G HN 0.311 nan 8.290 nan 0.000 0.525 177 F N 1.046 120.983 119.950 -0.022 0.000 2.539 177 F HA 0.209 4.737 4.527 0.001 0.000 0.340 177 F C 1.751 177.564 175.800 0.022 0.000 1.185 177 F CA 0.689 58.638 58.000 -0.084 0.000 1.333 177 F CB 0.527 39.309 39.000 -0.363 0.000 1.152 177 F HN 0.043 nan 8.300 nan 0.000 0.602 178 D N 0.843 121.436 120.400 0.321 0.000 2.277 178 D HA 0.136 4.777 4.640 0.001 0.000 0.208 178 D C 0.876 177.116 176.300 -0.100 0.000 0.962 178 D CA 0.940 55.107 54.000 0.279 0.000 0.865 178 D CB 0.345 41.405 40.800 0.433 0.000 0.939 178 D HN 0.647 nan 8.370 nan 0.000 0.510 179 G N -0.562 107.833 108.800 -0.675 0.000 2.428 179 G HA2 0.391 4.352 3.960 0.001 0.000 0.304 179 G HA3 0.391 4.352 3.960 0.001 0.000 0.304 179 G C -1.931 172.219 174.900 -1.250 0.000 1.303 179 G CA -0.497 43.738 45.100 -1.442 0.000 0.825 179 G HN -0.031 nan 8.290 nan 0.000 0.484 180 V N 0.148 119.469 119.914 -0.988 0.000 2.789 180 V HA 0.663 4.784 4.120 0.001 0.000 0.311 180 V C -0.730 175.309 176.094 -0.091 0.000 1.073 180 V CA -0.628 61.415 62.300 -0.428 0.000 0.921 180 V CB 1.890 33.535 31.823 -0.296 0.000 1.009 180 V HN 0.850 nan 8.190 nan 0.000 0.426 181 E N 4.182 124.386 120.200 0.007 0.000 2.145 181 E HA 0.498 4.849 4.350 0.001 0.000 0.262 181 E C -1.049 175.561 176.600 0.017 0.000 0.883 181 E CA -0.632 55.816 56.400 0.079 0.000 0.748 181 E CB 1.227 31.050 29.700 0.206 0.000 1.140 181 E HN 0.627 nan 8.360 nan 0.000 0.417 182 I N 4.168 124.739 120.570 0.003 0.000 2.517 182 I HA -0.019 4.151 4.170 0.001 0.000 0.285 182 I C 0.358 176.559 176.117 0.140 0.000 1.106 182 I CA -0.114 61.225 61.300 0.066 0.000 1.402 182 I CB 0.311 38.277 38.000 -0.056 0.000 1.399 182 I HN 0.530 nan 8.210 nan 0.000 0.535 183 H N 6.613 125.779 119.070 0.160 0.000 2.982 183 H HA 0.259 4.816 4.556 0.001 0.000 0.261 183 H C 0.833 176.281 175.328 0.200 0.000 1.603 183 H CA -1.110 55.046 56.048 0.179 0.000 1.398 183 H CB 0.309 30.236 29.762 0.275 0.000 1.693 183 H HN 0.699 nan 8.280 nan 0.000 0.535 184 G N 2.571 111.567 108.800 0.327 0.000 3.440 184 G HA2 0.446 4.406 3.960 0.001 0.000 0.263 184 G HA3 0.446 4.406 3.960 0.001 0.000 0.263 184 G C 0.281 175.320 174.900 0.232 0.000 1.236 184 G CA 0.333 45.552 45.100 0.199 0.000 0.927 184 G HN 0.685 nan 8.290 nan 0.000 0.530 185 A N -0.236 122.835 122.820 0.418 0.000 2.414 185 A HA 0.682 5.002 4.320 0.001 0.000 0.278 185 A C 0.775 178.545 177.584 0.311 0.000 1.228 185 A CA -0.538 51.686 52.037 0.312 0.000 0.857 185 A CB 0.591 19.749 19.000 0.263 0.000 1.389 185 A HN 0.148 nan 8.150 nan 0.000 0.452 186 N N -1.126 117.705 118.700 0.217 0.000 2.714 186 N HA -0.183 4.557 4.740 0.001 0.000 0.250 186 N C 0.831 176.276 175.510 -0.108 0.000 1.117 186 N CA 2.673 55.823 53.050 0.167 0.000 0.719 186 N CB -1.460 37.227 38.487 0.333 0.000 1.081 186 N HN 2.227 nan 8.380 nan 0.000 0.557 187 G N -2.798 105.931 108.800 -0.119 0.000 2.148 187 G HA2 -0.385 3.576 3.960 0.001 0.000 0.254 187 G HA3 -0.385 3.576 3.960 0.001 0.000 0.254 187 G C 0.222 174.904 174.900 -0.364 0.000 0.981 187 G CA 0.765 45.717 45.100 -0.248 0.000 0.670 187 G HN 0.477 nan 8.290 nan 0.000 0.528 188 Y N -1.360 118.982 120.300 0.070 0.000 2.421 188 Y HA 0.601 5.152 4.550 0.001 0.000 0.366 188 Y C 1.779 177.727 175.900 0.080 0.000 1.360 188 Y CA -0.450 57.668 58.100 0.029 0.000 1.663 188 Y CB -0.310 38.140 38.460 -0.017 0.000 1.677 188 Y HN 0.026 nan 8.280 nan 0.000 0.584 189 L N 0.415 121.836 121.223 0.329 0.000 2.046 189 L HA -0.144 4.196 4.340 0.001 0.000 0.208 189 L C 1.733 178.829 176.870 0.376 0.000 1.077 189 L CA 1.700 56.721 54.840 0.301 0.000 0.747 189 L CB -0.757 41.491 42.059 0.315 0.000 0.896 189 L HN 0.665 nan 8.230 nan 0.000 0.432 190 I N -0.717 120.069 120.570 0.360 0.000 2.202 190 I HA -0.255 3.916 4.170 0.001 0.000 0.242 190 I C 2.188 178.480 176.117 0.292 0.000 1.091 190 I CA 1.571 63.073 61.300 0.336 0.000 1.368 190 I CB -0.641 37.401 38.000 0.070 0.000 1.058 190 I HN 0.275 nan 8.210 nan 0.000 0.410 191 D N 0.836 121.358 120.400 0.203 0.000 2.158 191 D HA -0.230 4.411 4.640 0.001 0.000 0.197 191 D C 2.234 178.605 176.300 0.119 0.000 0.995 191 D CA 1.461 55.545 54.000 0.139 0.000 0.846 191 D CB 0.009 40.865 40.800 0.094 0.000 0.941 191 D HN 0.294 nan 8.370 nan 0.000 0.456 192 Q N -1.211 118.658 119.800 0.115 0.000 2.112 192 Q HA -0.177 4.163 4.340 0.001 0.000 0.206 192 Q C 2.035 178.038 176.000 0.004 0.000 0.987 192 Q CA 1.355 57.171 55.803 0.022 0.000 0.858 192 Q CB -0.234 28.490 28.738 -0.023 0.000 0.905 192 Q HN 0.378 nan 8.270 nan 0.000 0.420 193 F N -0.378 119.556 119.950 -0.026 0.000 2.234 193 F HA -0.127 4.401 4.527 0.001 0.000 0.299 193 F C 2.145 177.967 175.800 0.038 0.000 1.087 193 F CA 1.041 59.031 58.000 -0.016 0.000 1.340 193 F CB -0.053 38.959 39.000 0.020 0.000 1.031 193 F HN 0.089 nan 8.300 nan 0.000 0.500 194 M N -0.828 118.919 119.600 0.244 0.000 2.236 194 M HA -0.078 4.402 4.480 0.001 0.000 0.266 194 M C 0.382 176.723 176.300 0.068 0.000 1.070 194 M CA 1.053 56.446 55.300 0.156 0.000 1.137 194 M CB 0.010 32.690 32.600 0.133 0.000 1.378 194 M HN -0.323 nan 8.290 nan 0.000 0.426 195 K N 1.989 122.410 120.400 0.035 0.000 2.297 195 K HA 0.027 4.347 4.320 0.001 0.000 0.286 195 K C 0.238 176.821 176.600 -0.027 0.000 1.053 195 K CA 0.016 56.299 56.287 -0.007 0.000 0.940 195 K CB 0.781 33.269 32.500 -0.019 0.000 1.019 195 K HN 0.211 nan 8.250 nan 0.000 0.475 196 D N 1.286 121.670 120.400 -0.028 0.000 2.264 196 D HA -0.146 4.494 4.640 0.001 0.000 0.208 196 D C 1.105 177.378 176.300 -0.045 0.000 0.966 196 D CA 1.226 55.204 54.000 -0.036 0.000 0.864 196 D CB -0.170 40.611 40.800 -0.031 0.000 0.933 196 D HN 0.552 nan 8.370 nan 0.000 0.499 197 T N -2.617 111.909 114.554 -0.046 0.000 3.088 197 T HA 0.097 4.447 4.350 0.001 0.000 0.259 197 T C 1.820 176.478 174.700 -0.070 0.000 1.122 197 T CA 0.484 62.553 62.100 -0.051 0.000 1.095 197 T CB -0.054 68.788 68.868 -0.044 0.000 0.930 197 T HN 0.083 nan 8.240 nan 0.000 0.508 198 V N 0.838 120.703 119.914 -0.081 0.000 2.908 198 V HA 0.272 4.393 4.120 0.001 0.000 0.240 198 V C 0.919 176.928 176.094 -0.142 0.000 1.117 198 V CA 0.114 62.347 62.300 -0.111 0.000 1.133 198 V CB -0.356 31.396 31.823 -0.118 0.000 0.857 198 V HN 0.402 nan 8.190 nan 0.000 0.478 199 N N 2.544 121.164 118.700 -0.134 0.000 2.437 199 N HA 0.106 4.847 4.740 0.001 0.000 0.243 199 N C -0.408 175.032 175.510 -0.116 0.000 1.041 199 N CA -0.164 52.784 53.050 -0.170 0.000 0.940 199 N CB 0.764 39.158 38.487 -0.154 0.000 1.133 199 N HN 0.468 nan 8.380 nan 0.000 0.506 200 D N 2.154 122.481 120.400 -0.122 0.000 2.670 200 D HA 0.094 4.735 4.640 0.001 0.000 0.255 200 D C -0.106 176.146 176.300 -0.080 0.000 1.286 200 D CA -0.341 53.608 54.000 -0.086 0.000 0.830 200 D CB -0.117 40.637 40.800 -0.076 0.000 1.065 200 D HN 0.282 nan 8.370 nan 0.000 0.486 201 R N -0.129 120.317 120.500 -0.090 0.000 2.590 201 R HA 0.269 4.609 4.340 0.001 0.000 0.274 201 R C 0.884 177.169 176.300 -0.025 0.000 1.061 201 R CA 0.509 56.571 56.100 -0.064 0.000 1.081 201 R CB 0.511 30.778 30.300 -0.054 0.000 0.984 201 R HN 0.182 nan 8.270 nan 0.000 0.448 202 T N -2.408 112.137 114.554 -0.015 0.000 3.215 202 T HA 0.079 4.430 4.350 0.001 0.000 0.271 202 T C -0.094 174.614 174.700 0.013 0.000 1.012 202 T CA -0.593 61.504 62.100 -0.005 0.000 0.899 202 T CB -0.306 68.555 68.868 -0.011 0.000 1.089 202 T HN 0.635 nan 8.240 nan 0.000 0.552 203 D N 0.663 121.086 120.400 0.037 0.000 2.624 203 D HA 0.182 4.822 4.640 0.001 0.000 0.257 203 D C 1.299 177.640 176.300 0.069 0.000 1.167 203 D CA -0.786 53.252 54.000 0.063 0.000 1.086 203 D CB 0.365 41.222 40.800 0.095 0.000 1.210 203 D HN 0.287 nan 8.370 nan 0.000 0.631 204 E N -1.346 118.896 120.200 0.070 0.000 2.418 204 E HA -0.155 4.195 4.350 0.001 0.000 0.197 204 E C 0.828 177.347 176.600 -0.135 0.000 1.026 204 E CA 0.762 57.135 56.400 -0.044 0.000 0.862 204 E CB -0.514 29.126 29.700 -0.100 0.000 0.799 204 E HN 0.472 nan 8.360 nan 0.000 0.518 205 Y N 1.010 121.363 120.300 0.089 0.000 2.466 205 Y HA 0.325 4.875 4.550 0.001 0.000 0.272 205 Y C 1.080 177.053 175.900 0.122 0.000 1.169 205 Y CA 0.199 58.396 58.100 0.161 0.000 1.285 205 Y CB 1.127 39.752 38.460 0.274 0.000 1.078 205 Y HN 0.127 nan 8.280 nan 0.000 0.523 206 G N -2.426 106.460 108.800 0.142 0.000 2.725 206 G HA2 0.470 4.431 3.960 0.001 0.000 0.288 206 G HA3 0.470 4.431 3.960 0.001 0.000 0.288 206 G C 0.279 175.188 174.900 0.015 0.000 1.399 206 G CA -0.446 44.689 45.100 0.058 0.000 0.859 206 G HN 0.224 nan 8.290 nan 0.000 0.479 207 G N -1.496 107.300 108.800 -0.008 0.000 2.141 207 G HA2 0.264 4.224 3.960 0.001 0.000 0.231 207 G HA3 0.264 4.224 3.960 0.001 0.000 0.231 207 G C 0.325 175.209 174.900 -0.027 0.000 0.984 207 G CA 1.062 46.150 45.100 -0.020 0.000 0.660 207 G HN 2.455 nan 8.290 nan 0.000 0.525 208 S N -1.833 113.848 115.700 -0.031 0.000 2.586 208 S HA 0.542 5.013 4.470 0.001 0.000 0.277 208 S C 0.611 175.168 174.600 -0.071 0.000 1.131 208 S CA 0.273 58.441 58.200 -0.053 0.000 0.848 208 S CB 0.823 63.989 63.200 -0.056 0.000 1.091 208 S HN 1.449 nan 8.310 nan 0.000 0.453 209 L N 2.403 123.555 121.223 -0.118 0.000 1.997 209 L HA -0.109 4.232 4.340 0.001 0.000 0.216 209 L C 2.602 179.329 176.870 -0.239 0.000 1.074 209 L CA 2.389 57.118 54.840 -0.185 0.000 0.763 209 L CB -1.258 40.633 42.059 -0.279 0.000 0.890 209 L HN 0.918 nan 8.230 nan 0.000 0.434 210 Q N -1.025 118.603 119.800 -0.287 0.000 2.020 210 Q HA -0.211 4.129 4.340 0.001 0.000 0.202 210 Q C 2.050 178.033 176.000 -0.029 0.000 0.982 210 Q CA 1.708 57.391 55.803 -0.200 0.000 0.838 210 Q CB -0.247 28.415 28.738 -0.128 0.000 0.899 210 Q HN 0.555 nan 8.270 nan 0.000 0.423 211 N N 0.411 119.089 118.700 -0.038 0.000 2.205 211 N HA -0.136 4.604 4.740 0.001 0.000 0.186 211 N C 1.477 177.030 175.510 0.072 0.000 1.015 211 N CA 1.086 54.129 53.050 -0.011 0.000 0.862 211 N CB -0.070 38.409 38.487 -0.013 0.000 0.986 211 N HN 0.147 nan 8.380 nan 0.000 0.429 212 R N -0.797 119.751 120.500 0.081 0.000 2.119 212 R HA 0.133 4.474 4.340 0.001 0.000 0.222 212 R C 1.370 177.806 176.300 0.228 0.000 1.088 212 R CA 0.657 56.852 56.100 0.158 0.000 0.984 212 R CB -0.111 30.237 30.300 0.080 0.000 0.884 212 R HN 0.274 nan 8.270 nan 0.000 0.447 213 C N 0.208 119.623 119.300 0.193 0.000 2.618 213 C HA 0.117 4.577 4.460 0.001 0.000 0.264 213 C C 2.235 177.342 174.990 0.196 0.000 1.334 213 C CA -0.293 58.870 59.018 0.242 0.000 1.731 213 C CB -0.471 27.515 27.740 0.410 0.000 1.852 213 C HN 0.436 nan 8.230 nan 0.000 0.566 214 K N 0.928 121.424 120.400 0.160 0.000 2.089 214 K HA -0.234 4.086 4.320 0.001 0.000 0.210 214 K C 1.789 178.478 176.600 0.148 0.000 1.048 214 K CA 1.743 58.075 56.287 0.076 0.000 0.926 214 K CB -0.321 32.092 32.500 -0.145 0.000 0.714 214 K HN 0.438 nan 8.250 nan 0.000 0.448 215 F N 1.915 121.901 119.950 0.059 0.000 2.051 215 F HA -0.110 4.418 4.527 0.001 0.000 0.296 215 F C -1.283 174.383 175.800 -0.223 0.000 1.122 215 F CA 0.971 58.885 58.000 -0.143 0.000 1.201 215 F CB -1.081 37.537 39.000 -0.638 0.000 0.978 215 F HN 0.077 nan 8.300 nan 0.000 0.472 216 P HA -0.209 nan 4.420 nan 0.000 0.216 216 P C 2.208 179.293 177.300 -0.358 0.000 1.153 216 P CA 1.967 64.847 63.100 -0.368 0.000 0.858 216 P CB -0.290 31.333 31.700 -0.127 0.000 0.789 217 L N -0.248 120.845 121.223 -0.215 0.000 2.093 217 L HA -0.129 4.212 4.340 0.001 0.000 0.208 217 L C 2.627 179.312 176.870 -0.309 0.000 1.085 217 L CA 1.443 56.128 54.840 -0.258 0.000 0.755 217 L CB -1.040 41.001 42.059 -0.029 0.000 0.904 217 L HN -0.004 nan 8.230 nan 0.000 0.435 218 E N 0.241 120.318 120.200 -0.205 0.000 2.160 218 E HA -0.211 4.139 4.350 0.001 0.000 0.195 218 E C 2.213 178.634 176.600 -0.298 0.000 0.991 218 E CA 1.124 57.417 56.400 -0.179 0.000 0.810 218 E CB 0.022 29.678 29.700 -0.072 0.000 0.742 218 E HN 0.542 nan 8.360 nan 0.000 0.466 219 I N 0.363 120.650 120.570 -0.472 0.000 2.339 219 I HA -0.162 4.008 4.170 0.001 0.000 0.245 219 I C 2.437 178.327 176.117 -0.378 0.000 1.096 219 I CA 0.555 61.548 61.300 -0.511 0.000 1.408 219 I CB -0.461 37.036 38.000 -0.838 0.000 1.092 219 I HN -0.021 nan 8.210 nan 0.000 0.423 220 V N 1.600 121.257 119.914 -0.429 0.000 2.282 220 V HA -0.356 3.765 4.120 0.001 0.000 0.249 220 V C 2.298 178.171 176.094 -0.369 0.000 1.057 220 V CA 2.526 64.579 62.300 -0.410 0.000 1.032 220 V CB -0.757 30.731 31.823 -0.558 0.000 0.645 220 V HN 0.456 nan 8.190 nan 0.000 0.447 221 D N 0.141 120.290 120.400 -0.419 0.000 2.106 221 D HA -0.196 4.444 4.640 0.001 0.000 0.191 221 D C 2.080 178.330 176.300 -0.082 0.000 0.997 221 D CA 1.831 55.720 54.000 -0.184 0.000 0.834 221 D CB -0.224 40.557 40.800 -0.031 0.000 0.956 221 D HN 0.391 nan 8.370 nan 0.000 0.448 222 A N -0.403 122.360 122.820 -0.096 0.000 1.969 222 A HA -0.038 4.283 4.320 0.001 0.000 0.218 222 A C 2.449 180.011 177.584 -0.036 0.000 1.169 222 A CA 1.246 53.255 52.037 -0.046 0.000 0.635 222 A CB -0.535 18.441 19.000 -0.039 0.000 0.810 222 A HN 0.245 nan 8.150 nan 0.000 0.445 223 V N -0.337 119.539 119.914 -0.063 0.000 2.379 223 V HA -0.181 3.940 4.120 0.001 0.000 0.245 223 V C 3.003 179.071 176.094 -0.042 0.000 1.044 223 V CA 1.827 64.100 62.300 -0.045 0.000 1.036 223 V CB -0.999 30.788 31.823 -0.059 0.000 0.664 223 V HN 0.579 nan 8.190 nan 0.000 0.453 224 A N -0.562 122.229 122.820 -0.049 0.000 2.014 224 A HA -0.174 4.147 4.320 0.001 0.000 0.218 224 A C 2.254 179.841 177.584 0.005 0.000 1.163 224 A CA 1.590 53.616 52.037 -0.017 0.000 0.652 224 A CB -0.338 18.663 19.000 0.001 0.000 0.808 224 A HN 0.526 nan 8.150 nan 0.000 0.449 225 K N -0.597 119.808 120.400 0.008 0.000 2.103 225 K HA -0.126 4.194 4.320 0.001 0.000 0.204 225 K C 2.086 178.691 176.600 0.008 0.000 1.052 225 K CA 1.374 57.671 56.287 0.016 0.000 0.945 225 K CB -0.037 32.475 32.500 0.020 0.000 0.722 225 K HN 0.485 nan 8.250 nan 0.000 0.443 226 E N 1.283 121.484 120.200 0.002 0.000 2.017 226 E HA -0.165 4.186 4.350 0.001 0.000 0.193 226 E C 1.638 178.237 176.600 -0.002 0.000 0.997 226 E CA 1.637 58.038 56.400 0.002 0.000 0.804 226 E CB 0.050 29.752 29.700 0.002 0.000 0.757 226 E HN 0.452 nan 8.360 nan 0.000 0.448 227 I N -4.219 116.344 120.570 -0.012 0.000 4.139 227 I HA 0.470 4.641 4.170 0.001 0.000 0.335 227 I C 0.482 176.593 176.117 -0.009 0.000 1.327 227 I CA 0.240 61.530 61.300 -0.017 0.000 1.112 227 I CB 0.830 38.804 38.000 -0.043 0.000 1.058 227 I HN 0.147 nan 8.210 nan 0.000 0.396 228 G N 3.037 111.836 108.800 -0.002 0.000 3.225 228 G HA2 -0.091 3.869 3.960 0.001 0.000 0.686 228 G HA3 -0.091 3.869 3.960 0.001 0.000 0.686 228 G C -2.272 172.640 174.900 0.020 0.000 1.105 228 G CA -0.213 44.893 45.100 0.010 0.000 0.831 228 G HN 0.059 nan 8.290 nan 0.000 0.578 229 P HA -0.071 nan 4.420 nan 0.000 0.220 229 P C 1.301 178.651 177.300 0.083 0.000 1.148 229 P CA 1.648 64.782 63.100 0.056 0.000 0.803 229 P CB 0.027 31.773 31.700 0.076 0.000 0.782 230 D N 0.399 120.846 120.400 0.080 0.000 2.384 230 D HA -0.168 4.473 4.640 0.001 0.000 0.222 230 D C 1.086 177.519 176.300 0.222 0.000 0.976 230 D CA 0.630 54.697 54.000 0.112 0.000 0.915 230 D CB -0.407 40.413 40.800 0.033 0.000 0.896 230 D HN 0.288 nan 8.370 nan 0.000 0.523 231 R N 0.172 120.776 120.500 0.173 0.000 2.652 231 R HA 0.331 4.672 4.340 0.001 0.000 0.372 231 R C -0.686 175.609 176.300 -0.009 0.000 1.104 231 R CA -0.229 55.983 56.100 0.187 0.000 1.072 231 R CB 1.621 31.940 30.300 0.031 0.000 1.367 231 R HN -0.022 nan 8.270 nan 0.000 0.577 232 V N 0.265 120.241 119.914 0.103 0.000 2.531 232 V HA 0.625 4.745 4.120 0.001 0.000 0.301 232 V C 0.238 176.254 176.094 -0.130 0.000 1.034 232 V CA -0.939 61.344 62.300 -0.028 0.000 0.865 232 V CB 1.829 33.621 31.823 -0.052 0.000 0.995 232 V HN 0.338 nan 8.190 nan 0.000 0.424 233 G N 3.271 111.852 108.800 -0.365 0.000 2.473 233 G HA2 0.838 4.799 3.960 0.001 0.000 0.321 233 G HA3 0.838 4.799 3.960 0.001 0.000 0.321 233 G C -1.468 173.149 174.900 -0.473 0.000 1.200 233 G CA -0.668 43.800 45.100 -1.053 0.000 0.963 233 G HN 0.710 nan 8.290 nan 0.000 0.483 234 I N -0.190 120.158 120.570 -0.370 0.000 2.647 234 I HA 0.626 4.796 4.170 0.001 0.000 0.295 234 I C -0.555 175.537 176.117 -0.042 0.000 1.078 234 I CA -1.218 59.992 61.300 -0.151 0.000 1.048 234 I CB 2.149 40.055 38.000 -0.156 0.000 1.239 234 I HN 0.433 nan 8.210 nan 0.000 0.421 235 R N 7.189 127.673 120.500 -0.026 0.000 2.393 235 R HA 0.707 5.047 4.340 0.001 0.000 0.310 235 R C -1.728 174.553 176.300 -0.032 0.000 0.968 235 R CA -0.544 55.498 56.100 -0.097 0.000 0.867 235 R CB 1.213 31.354 30.300 -0.265 0.000 1.124 235 R HN 0.613 nan 8.270 nan 0.000 0.450 236 L N 2.133 123.330 121.223 -0.043 0.000 2.370 236 L HA 0.489 4.829 4.340 0.001 0.000 0.266 236 L C -0.331 176.558 176.870 0.031 0.000 1.002 236 L CA -0.775 54.072 54.840 0.012 0.000 0.818 236 L CB 2.384 44.448 42.059 0.007 0.000 1.325 236 L HN 0.697 nan 8.230 nan 0.000 0.418 237 S N -0.674 115.058 115.700 0.053 0.000 2.317 237 S HA 0.329 4.800 4.470 0.001 0.000 0.144 237 S C -2.280 172.319 174.600 -0.001 0.000 1.660 237 S CA -0.938 57.309 58.200 0.080 0.000 1.273 237 S CB 0.916 64.174 63.200 0.095 0.000 1.330 237 S HN 0.419 nan 8.310 nan 0.000 0.395 238 P HA 0.057 nan 4.420 nan 0.000 0.230 238 P C 0.450 177.411 177.300 -0.566 0.000 1.158 238 P CA 0.663 63.518 63.100 -0.409 0.000 0.769 238 P CB -0.279 31.064 31.700 -0.594 0.000 0.807 239 F N -0.702 119.292 119.950 0.074 0.000 2.731 239 F HA 0.362 4.889 4.527 0.001 0.000 0.298 239 F C 1.623 177.460 175.800 0.061 0.000 1.106 239 F CA -0.405 57.635 58.000 0.067 0.000 1.329 239 F CB -0.188 38.855 39.000 0.072 0.000 1.100 239 F HN -0.150 nan 8.300 nan 0.000 0.592 240 A N 0.540 123.457 122.820 0.163 0.000 2.252 240 A HA 0.470 4.790 4.320 0.001 0.000 0.305 240 A C 0.113 177.755 177.584 0.098 0.000 1.097 240 A CA -0.053 52.069 52.037 0.141 0.000 0.849 240 A CB 0.205 19.285 19.000 0.134 0.000 1.142 240 A HN 0.259 nan 8.150 nan 0.000 0.499 241 D N -1.495 118.967 120.400 0.104 0.000 2.620 241 D HA 0.043 4.683 4.640 0.001 0.000 0.260 241 D C -0.454 175.894 176.300 0.080 0.000 1.367 241 D CA -0.394 53.645 54.000 0.065 0.000 0.805 241 D CB -0.830 39.997 40.800 0.045 0.000 1.096 241 D HN 0.313 nan 8.370 nan 0.000 0.488 242 Y N 2.624 122.915 120.300 -0.016 0.000 2.969 242 Y HA 0.030 4.581 4.550 0.001 0.000 0.339 242 Y C 1.153 176.988 175.900 -0.109 0.000 1.272 242 Y CA 0.436 58.514 58.100 -0.037 0.000 1.577 242 Y CB 0.281 38.728 38.460 -0.022 0.000 1.234 242 Y HN 0.056 nan 8.280 nan 0.000 0.590 243 M N 4.883 124.142 119.600 -0.568 0.000 2.253 243 M HA -0.314 4.167 4.480 0.001 0.000 0.195 243 M C 0.268 176.380 176.300 -0.314 0.000 0.512 243 M CA 1.356 56.332 55.300 -0.541 0.000 0.442 243 M CB -2.086 30.094 32.600 -0.699 0.000 1.189 243 M HN 0.888 nan 8.290 nan 0.000 0.923 244 E N -1.671 118.409 120.200 -0.200 0.000 2.252 244 E HA -0.226 4.124 4.350 0.001 0.000 0.218 244 E C 0.471 177.003 176.600 -0.112 0.000 1.253 244 E CA 0.767 57.088 56.400 -0.132 0.000 0.705 244 E CB -1.417 28.198 29.700 -0.142 0.000 1.172 244 E HN 0.857 nan 8.360 nan 0.000 0.369 245 S N -1.411 114.240 115.700 -0.082 0.000 2.602 245 S HA 0.326 4.797 4.470 0.001 0.000 0.240 245 S C 0.847 175.430 174.600 -0.027 0.000 0.992 245 S CA -0.200 57.963 58.200 -0.061 0.000 0.971 245 S CB 1.114 64.279 63.200 -0.058 0.000 0.855 245 S HN 0.408 nan 8.310 nan 0.000 0.481 246 G N 0.780 109.569 108.800 -0.018 0.000 2.544 246 G HA2 0.400 4.360 3.960 0.001 0.000 0.242 246 G HA3 0.400 4.360 3.960 0.001 0.000 0.242 246 G C -0.963 173.928 174.900 -0.015 0.000 1.247 246 G CA -0.272 44.827 45.100 -0.002 0.000 0.840 246 G HN 0.411 nan 8.290 nan 0.000 0.578 247 D N -1.087 119.302 120.400 -0.017 0.000 2.185 247 D HA 0.401 5.041 4.640 0.001 0.000 0.247 247 D C 1.761 178.055 176.300 -0.010 0.000 1.027 247 D CA -0.056 53.929 54.000 -0.025 0.000 0.861 247 D CB 1.346 42.117 40.800 -0.048 0.000 1.202 247 D HN 0.306 nan 8.370 nan 0.000 0.453 248 T N 0.476 115.025 114.554 -0.009 0.000 3.007 248 T HA -0.090 4.261 4.350 0.001 0.000 0.270 248 T C 0.816 175.523 174.700 0.010 0.000 1.107 248 T CA 0.418 62.519 62.100 0.002 0.000 1.118 248 T CB -0.051 68.815 68.868 -0.003 0.000 0.889 248 T HN 0.247 nan 8.240 nan 0.000 0.506 249 N N 1.443 120.143 118.700 0.001 0.000 2.733 249 N HA 0.290 5.030 4.740 0.001 0.000 0.271 249 N C -2.401 173.104 175.510 -0.008 0.000 1.720 249 N CA -2.008 51.048 53.050 0.010 0.000 0.803 249 N CB 1.657 40.147 38.487 0.005 0.000 1.208 249 N HN 0.094 nan 8.380 nan 0.000 0.498 250 P HA 0.057 nan 4.420 nan 0.000 0.222 250 P C 1.335 178.533 177.300 -0.171 0.000 1.153 250 P CA 0.647 63.650 63.100 -0.162 0.000 0.798 250 P CB 0.253 31.857 31.700 -0.160 0.000 0.796 251 G N 0.547 109.405 108.800 0.096 0.000 2.408 251 G HA2 -0.154 3.806 3.960 0.001 0.000 0.217 251 G HA3 -0.154 3.806 3.960 0.001 0.000 0.217 251 G C 1.726 176.688 174.900 0.103 0.000 1.150 251 G CA 0.881 46.103 45.100 0.203 0.000 0.776 251 G HN 0.351 nan 8.290 nan 0.000 0.542 252 A N 0.547 123.402 122.820 0.058 0.000 1.872 252 A HA 0.158 4.479 4.320 0.001 0.000 0.214 252 A C 2.311 179.941 177.584 0.077 0.000 1.187 252 A CA 1.516 53.589 52.037 0.061 0.000 0.614 252 A CB -0.509 18.508 19.000 0.028 0.000 0.826 252 A HN 0.435 nan 8.150 nan 0.000 0.442 253 L N 0.493 121.731 121.223 0.026 0.000 1.997 253 L HA -0.139 4.201 4.340 0.001 0.000 0.216 253 L C 2.342 179.254 176.870 0.070 0.000 1.074 253 L CA 2.714 57.578 54.840 0.040 0.000 0.763 253 L CB -1.256 40.779 42.059 -0.041 0.000 0.890 253 L HN 0.302 nan 8.230 nan 0.000 0.434 254 G N -0.712 108.081 108.800 -0.011 0.000 2.421 254 G HA2 -0.284 3.676 3.960 0.001 0.000 0.216 254 G HA3 -0.284 3.676 3.960 0.001 0.000 0.216 254 G C 1.600 176.581 174.900 0.136 0.000 1.171 254 G CA 0.970 46.091 45.100 0.034 0.000 0.775 254 G HN 0.420 nan 8.290 nan 0.000 0.543 255 L N -0.599 120.716 121.223 0.154 0.000 1.994 255 L HA -0.031 4.309 4.340 0.001 0.000 0.208 255 L C 2.548 179.520 176.870 0.169 0.000 1.071 255 L CA 1.886 56.821 54.840 0.159 0.000 0.745 255 L CB -0.799 41.343 42.059 0.139 0.000 0.892 255 L HN 0.352 nan 8.230 nan 0.000 0.431 256 Y N -0.977 119.362 120.300 0.065 0.000 2.151 256 Y HA -0.333 4.218 4.550 0.001 0.000 0.284 256 Y C 2.409 178.358 175.900 0.083 0.000 1.166 256 Y CA 2.088 60.227 58.100 0.064 0.000 1.163 256 Y CB -0.162 38.325 38.460 0.046 0.000 0.974 256 Y HN 0.169 nan 8.280 nan 0.000 0.511 257 M N -0.160 119.482 119.600 0.071 0.000 2.086 257 M HA -0.193 4.287 4.480 0.001 0.000 0.261 257 M C 2.501 178.809 176.300 0.012 0.000 1.067 257 M CA 1.797 57.091 55.300 -0.010 0.000 1.116 257 M CB -1.794 30.841 32.600 0.058 0.000 1.348 257 M HN 0.460 nan 8.290 nan 0.000 0.407 258 A N 0.007 122.884 122.820 0.095 0.000 1.855 258 A HA -0.166 4.154 4.320 0.001 0.000 0.215 258 A C 2.061 179.776 177.584 0.218 0.000 1.191 258 A CA 1.655 53.811 52.037 0.199 0.000 0.613 258 A CB -0.767 18.384 19.000 0.253 0.000 0.829 258 A HN 0.564 nan 8.150 nan 0.000 0.442 259 E N -0.019 120.247 120.200 0.110 0.000 2.070 259 E HA -0.172 4.178 4.350 0.001 0.000 0.197 259 E C 2.254 178.852 176.600 -0.002 0.000 1.004 259 E CA 1.631 58.062 56.400 0.052 0.000 0.805 259 E CB -0.234 29.473 29.700 0.013 0.000 0.744 259 E HN 0.570 nan 8.360 nan 0.000 0.451 260 S N 0.708 116.334 115.700 -0.124 0.000 2.428 260 S HA -0.036 4.434 4.470 0.001 0.000 0.230 260 S C 1.853 176.513 174.600 0.100 0.000 1.014 260 S CA 0.555 58.662 58.200 -0.154 0.000 0.957 260 S CB -0.028 62.895 63.200 -0.461 0.000 0.784 260 S HN 0.166 nan 8.310 nan 0.000 0.499 261 L N 1.502 122.838 121.223 0.188 0.000 2.610 261 L HA 0.113 4.454 4.340 0.001 0.000 0.232 261 L C 1.893 178.982 176.870 0.364 0.000 1.149 261 L CA 0.174 55.230 54.840 0.359 0.000 0.872 261 L CB -0.513 41.730 42.059 0.305 0.000 0.992 261 L HN 0.173 nan 8.230 nan 0.000 0.447 262 N N 0.766 119.585 118.700 0.198 0.000 2.142 262 N HA -0.172 4.569 4.740 0.001 0.000 0.186 262 N C 1.844 177.353 175.510 -0.002 0.000 1.023 262 N CA 0.932 54.011 53.050 0.048 0.000 0.852 262 N CB -0.023 38.452 38.487 -0.019 0.000 0.998 262 N HN 0.327 nan 8.380 nan 0.000 0.424 263 K N 0.528 120.884 120.400 -0.072 0.000 2.089 263 K HA -0.190 4.130 4.320 0.001 0.000 0.210 263 K C 1.361 177.825 176.600 -0.228 0.000 1.048 263 K CA 1.445 57.590 56.287 -0.236 0.000 0.926 263 K CB -0.166 32.048 32.500 -0.477 0.000 0.714 263 K HN 0.289 nan 8.250 nan 0.000 0.448 264 Y N -0.342 119.961 120.300 0.004 0.000 2.544 264 Y HA 0.118 4.668 4.550 0.001 0.000 0.286 264 Y C 1.372 177.284 175.900 0.019 0.000 1.141 264 Y CA 0.461 58.567 58.100 0.010 0.000 1.299 264 Y CB 0.050 38.518 38.460 0.013 0.000 1.030 264 Y HN 0.298 nan 8.280 nan 0.000 0.543 265 G N 2.289 111.171 108.800 0.137 0.000 2.395 265 G HA2 -0.318 3.643 3.960 0.001 0.000 0.300 265 G HA3 -0.318 3.643 3.960 0.001 0.000 0.300 265 G C 0.282 175.258 174.900 0.126 0.000 0.998 265 G CA 0.582 45.728 45.100 0.076 0.000 1.046 265 G HN 0.589 nan 8.290 nan 0.000 0.513 266 I N -3.256 117.438 120.570 0.207 0.000 3.021 266 I HA 0.626 4.796 4.170 0.001 0.000 0.303 266 I C 1.796 178.080 176.117 0.278 0.000 1.044 266 I CA -1.031 60.388 61.300 0.199 0.000 1.266 266 I CB 0.618 38.709 38.000 0.151 0.000 1.447 266 I HN 0.011 nan 8.210 nan 0.000 0.593 267 L N 2.460 123.825 121.223 0.236 0.000 2.027 267 L HA 0.047 4.387 4.340 0.001 0.000 0.206 267 L C 0.232 177.379 176.870 0.462 0.000 1.074 267 L CA 1.575 56.602 54.840 0.313 0.000 0.745 267 L CB -0.298 41.970 42.059 0.347 0.000 0.898 267 L HN 0.822 nan 8.230 nan 0.000 0.433 268 Y N -3.128 117.359 120.300 0.311 0.000 2.597 268 Y HA 0.509 5.060 4.550 0.001 0.000 0.340 268 Y C -1.139 174.619 175.900 -0.236 0.000 1.097 268 Y CA -2.350 55.842 58.100 0.154 0.000 1.037 268 Y CB 0.590 39.085 38.460 0.059 0.000 1.305 268 Y HN -0.159 nan 8.280 nan 0.000 0.463 269 C N 3.217 122.351 119.300 -0.277 0.000 2.364 269 C HA 0.579 5.039 4.460 0.001 0.000 0.324 269 C C -1.347 173.475 174.990 -0.279 0.000 1.234 269 C CA -0.163 58.577 59.018 -0.463 0.000 1.417 269 C CB -0.481 26.625 27.740 -1.057 0.000 2.101 269 C HN 1.085 nan 8.230 nan 0.000 0.466 270 H N 4.668 123.618 119.070 -0.200 0.000 2.587 270 H HA 0.730 5.286 4.556 0.001 0.000 0.325 270 H C -1.305 173.861 175.328 -0.270 0.000 1.012 270 H CA -0.525 55.371 56.048 -0.254 0.000 1.213 270 H CB 1.276 31.051 29.762 0.022 0.000 1.431 270 H HN 0.569 nan 8.280 nan 0.000 0.492 271 V N 6.891 126.744 119.914 -0.101 0.000 2.735 271 V HA 0.269 4.390 4.120 0.001 0.000 0.310 271 V C 0.045 176.198 176.094 0.098 0.000 1.061 271 V CA -0.815 61.475 62.300 -0.017 0.000 0.913 271 V CB 1.982 33.855 31.823 0.084 0.000 1.005 271 V HN 0.687 nan 8.190 nan 0.000 0.428 272 I N 2.551 123.182 120.570 0.103 0.000 2.396 272 I HA 0.362 4.533 4.170 0.001 0.000 0.292 272 I C 0.354 176.591 176.117 0.200 0.000 0.999 272 I CA -0.286 61.091 61.300 0.129 0.000 1.310 272 I CB 1.333 39.373 38.000 0.067 0.000 1.404 272 I HN 0.681 nan 8.210 nan 0.000 0.496 273 E N 5.046 125.347 120.200 0.169 0.000 2.383 273 E HA 0.406 4.756 4.350 0.001 0.000 0.264 273 E C 0.033 176.678 176.600 0.075 0.000 1.050 273 E CA -0.171 56.292 56.400 0.105 0.000 0.896 273 E CB 1.129 30.852 29.700 0.038 0.000 0.982 273 E HN 0.618 nan 8.360 nan 0.000 0.424 274 A N 4.491 127.302 122.820 -0.015 0.000 2.291 274 A HA 0.081 4.402 4.320 0.001 0.000 0.268 274 A C 0.163 177.746 177.584 -0.002 0.000 1.579 274 A CA 0.248 52.293 52.037 0.014 0.000 0.854 274 A CB 0.011 18.945 19.000 -0.110 0.000 1.370 274 A HN 0.728 nan 8.150 nan 0.000 0.576 275 R N 0.212 120.714 120.500 0.002 0.000 4.576 275 R HA 0.200 4.540 4.340 0.001 0.000 0.185 275 R C -0.492 175.787 176.300 -0.034 0.000 1.837 275 R CA 0.393 56.492 56.100 -0.002 0.000 1.520 275 R CB -1.186 29.125 30.300 0.020 0.000 1.403 275 R HN 0.672 nan 8.270 nan 0.000 0.831 288 T N 1.166 115.734 114.554 0.024 0.000 3.652 288 T HA -0.039 4.311 4.350 0.001 0.000 0.172 288 T C 0.219 174.887 174.700 -0.053 0.000 0.635 288 T CA 0.334 62.269 62.100 -0.274 0.000 0.911 288 T CB -0.698 67.692 68.868 -0.797 0.000 0.805 288 T HN 0.188 nan 8.240 nan 0.000 0.289 289 L N 2.638 123.848 121.223 -0.022 0.000 2.109 289 L HA 0.198 4.539 4.340 0.001 0.000 0.207 289 L C 2.572 179.469 176.870 0.046 0.000 1.086 289 L CA 1.493 56.427 54.840 0.156 0.000 0.760 289 L CB -0.489 41.714 42.059 0.240 0.000 0.910 289 L HN 0.443 nan 8.230 nan 0.000 0.437 290 M N -0.442 119.165 119.600 0.012 0.000 2.088 290 M HA -0.190 4.291 4.480 0.001 0.000 0.256 290 M C -0.070 176.223 176.300 -0.012 0.000 1.071 290 M CA 2.192 57.476 55.300 -0.027 0.000 1.097 290 M CB -2.693 29.934 32.600 0.044 0.000 1.315 290 M HN 0.082 nan 8.290 nan 0.000 0.406 291 P HA -0.104 nan 4.420 nan 0.000 0.215 291 P C 1.900 179.244 177.300 0.074 0.000 1.153 291 P CA 1.386 64.518 63.100 0.053 0.000 0.853 291 P CB -0.237 31.505 31.700 0.070 0.000 0.788 292 M N -1.405 118.267 119.600 0.120 0.000 2.132 292 M HA -0.155 4.325 4.480 0.001 0.000 0.263 292 M C 2.355 178.719 176.300 0.107 0.000 1.065 292 M CA 1.652 57.068 55.300 0.193 0.000 1.122 292 M CB -0.561 32.250 32.600 0.352 0.000 1.365 292 M HN -0.161 nan 8.290 nan 0.000 0.411 293 R N 1.456 121.802 120.500 -0.256 0.000 2.073 293 R HA -0.088 4.252 4.340 0.001 0.000 0.234 293 R C 1.677 177.913 176.300 -0.107 0.000 1.134 293 R CA 1.855 57.623 56.100 -0.554 0.000 0.952 293 R CB -0.681 28.970 30.300 -1.082 0.000 0.850 293 R HN 0.281 nan 8.270 nan 0.000 0.433 294 K N 0.204 120.566 120.400 -0.063 0.000 2.097 294 K HA 0.024 4.345 4.320 0.001 0.000 0.205 294 K C 2.139 178.762 176.600 0.038 0.000 1.050 294 K CA 1.326 57.608 56.287 -0.007 0.000 0.938 294 K CB -0.229 32.268 32.500 -0.005 0.000 0.718 294 K HN 0.314 nan 8.250 nan 0.000 0.442 295 A N 1.589 124.455 122.820 0.076 0.000 1.898 295 A HA -0.117 4.204 4.320 0.001 0.000 0.216 295 A C 0.898 178.574 177.584 0.152 0.000 1.181 295 A CA 0.627 52.728 52.037 0.107 0.000 0.620 295 A CB -0.406 18.671 19.000 0.128 0.000 0.819 295 A HN 0.283 nan 8.150 nan 0.000 0.442 296 F N 1.135 121.137 119.950 0.087 0.000 2.444 296 F HA 0.310 4.837 4.527 0.001 0.000 0.360 296 F C 1.108 176.978 175.800 0.117 0.000 1.106 296 F CA -0.818 57.261 58.000 0.132 0.000 1.170 296 F CB 0.820 39.964 39.000 0.239 0.000 1.113 296 F HN -0.022 nan 8.300 nan 0.000 0.521 297 K N 4.087 124.159 120.400 -0.547 0.000 2.296 297 K HA 0.085 4.405 4.320 0.001 0.000 0.200 297 K C 1.152 177.523 176.600 -0.381 0.000 1.048 297 K CA 0.609 56.674 56.287 -0.370 0.000 0.966 297 K CB -0.214 32.113 32.500 -0.287 0.000 0.754 297 K HN 0.775 nan 8.250 nan 0.000 0.466 298 G N 0.764 109.050 108.800 -0.857 0.000 2.574 298 G HA2 0.116 4.076 3.960 0.001 0.000 0.248 298 G HA3 0.116 4.076 3.960 0.001 0.000 0.248 298 G C -0.437 174.724 174.900 0.434 0.000 1.422 298 G CA -0.453 44.566 45.100 -0.135 0.000 1.051 298 G HN -0.025 nan 8.290 nan 0.000 0.560 299 T N 0.108 115.010 114.554 0.580 0.000 2.926 299 T HA 0.316 4.666 4.350 0.001 0.000 0.307 299 T C -1.041 173.990 174.700 0.553 0.000 1.059 299 T CA 0.604 63.012 62.100 0.514 0.000 1.122 299 T CB 0.433 69.558 68.868 0.428 0.000 0.972 299 T HN 0.247 nan 8.240 nan 0.000 0.545 300 F N 3.092 123.149 119.950 0.178 0.000 2.507 300 F HA 0.639 5.167 4.527 0.001 0.000 0.325 300 F C -0.931 174.823 175.800 -0.077 0.000 1.116 300 F CA -1.173 56.884 58.000 0.096 0.000 0.930 300 F CB 0.965 40.044 39.000 0.132 0.000 1.146 300 F HN 0.376 nan 8.300 nan 0.000 0.447 301 I N 4.452 124.706 120.570 -0.527 0.000 2.436 301 I HA 0.378 4.549 4.170 0.001 0.000 0.289 301 I C -0.599 175.242 176.117 -0.460 0.000 1.010 301 I CA -0.574 60.414 61.300 -0.520 0.000 1.098 301 I CB 1.969 39.452 38.000 -0.861 0.000 1.266 301 I HN 0.432 nan 8.210 nan 0.000 0.434 302 S N 3.977 119.518 115.700 -0.265 0.000 2.549 302 S HA 0.881 5.352 4.470 0.001 0.000 0.297 302 S C -0.354 174.176 174.600 -0.117 0.000 1.115 302 S CA -0.575 57.597 58.200 -0.046 0.000 1.059 302 S CB 2.044 65.307 63.200 0.105 0.000 1.046 302 S HN 0.758 nan 8.310 nan 0.000 0.506 303 A N 0.874 123.804 122.820 0.184 0.000 2.556 303 A HA 0.955 5.276 4.320 0.001 0.000 0.294 303 A C -0.155 177.626 177.584 0.328 0.000 1.091 303 A CA -0.348 51.806 52.037 0.195 0.000 0.704 303 A CB 1.396 20.504 19.000 0.181 0.000 1.300 303 A HN 1.802 nan 8.150 nan 0.000 0.406 304 G N -0.484 108.482 108.800 0.277 0.000 3.152 304 G HA2 0.515 4.476 3.960 0.001 0.000 0.666 304 G HA3 0.515 4.476 3.960 0.001 0.000 0.666 304 G C 1.098 176.023 174.900 0.042 0.000 1.205 304 G CA 0.716 45.891 45.100 0.125 0.000 1.178 304 G HN 2.774 nan 8.290 nan 0.000 0.510 305 G N 0.222 109.053 108.800 0.051 0.000 2.179 305 G HA2 -0.154 3.806 3.960 0.001 0.000 0.257 305 G HA3 -0.154 3.806 3.960 0.001 0.000 0.257 305 G C 0.522 175.416 174.900 -0.010 0.000 1.010 305 G CA 0.671 45.784 45.100 0.022 0.000 0.736 305 G HN 1.500 nan 8.290 nan 0.000 0.513 306 F N 1.761 121.716 119.950 0.010 0.000 2.529 306 F HA 0.465 4.992 4.527 0.001 0.000 0.365 306 F C 1.613 177.593 175.800 0.301 0.000 1.102 306 F CA 0.635 58.658 58.000 0.039 0.000 1.271 306 F CB 0.819 39.695 39.000 -0.207 0.000 1.120 306 F HN 0.218 nan 8.300 nan 0.000 0.579 307 T N 0.097 114.887 114.554 0.394 0.000 2.912 307 T HA 0.316 4.666 4.350 0.001 0.000 0.280 307 T C 1.345 176.158 174.700 0.189 0.000 0.989 307 T CA -0.893 61.395 62.100 0.312 0.000 0.995 307 T CB 1.388 70.330 68.868 0.123 0.000 1.077 307 T HN 0.691 nan 8.240 nan 0.000 0.531 308 R N 0.390 120.726 120.500 -0.273 0.000 2.112 308 R HA -0.210 4.130 4.340 0.001 0.000 0.242 308 R C 1.916 178.046 176.300 -0.284 0.000 1.137 308 R CA 2.362 58.013 56.100 -0.747 0.000 0.944 308 R CB -0.433 29.292 30.300 -0.958 0.000 0.857 308 R HN 0.809 nan 8.270 nan 0.000 0.435 309 E N 0.253 120.363 120.200 -0.150 0.000 2.107 309 E HA -0.115 4.235 4.350 0.001 0.000 0.191 309 E C 1.704 178.309 176.600 0.008 0.000 0.982 309 E CA 1.224 57.578 56.400 -0.077 0.000 0.809 309 E CB -0.134 29.528 29.700 -0.063 0.000 0.756 309 E HN 0.360 nan 8.360 nan 0.000 0.459 310 D N -0.089 120.351 120.400 0.067 0.000 2.133 310 D HA -0.127 4.514 4.640 0.001 0.000 0.195 310 D C 1.951 178.434 176.300 0.305 0.000 0.997 310 D CA 1.561 55.646 54.000 0.143 0.000 0.840 310 D CB -0.504 40.372 40.800 0.126 0.000 0.947 310 D HN 0.320 nan 8.370 nan 0.000 0.452 311 G N 0.351 109.348 108.800 0.329 0.000 2.395 311 G HA2 -0.212 3.748 3.960 0.001 0.000 0.214 311 G HA3 -0.212 3.748 3.960 0.001 0.000 0.214 311 G C 1.657 176.605 174.900 0.080 0.000 1.177 311 G CA 0.223 45.463 45.100 0.234 0.000 0.794 311 G HN 0.131 nan 8.290 nan 0.000 0.532 312 N N 0.866 119.575 118.700 0.014 0.000 2.037 312 N HA -0.163 4.577 4.740 0.001 0.000 0.196 312 N C 2.078 177.598 175.510 0.017 0.000 1.034 312 N CA 1.702 54.743 53.050 -0.013 0.000 0.861 312 N CB -0.392 38.062 38.487 -0.054 0.000 1.039 312 N HN 0.643 nan 8.380 nan 0.000 0.427 313 E N 0.381 120.602 120.200 0.035 0.000 2.051 313 E HA -0.067 4.283 4.350 0.001 0.000 0.192 313 E C 1.839 178.474 176.600 0.059 0.000 0.991 313 E CA 1.377 57.801 56.400 0.040 0.000 0.799 313 E CB -0.226 29.497 29.700 0.037 0.000 0.748 313 E HN 0.320 nan 8.360 nan 0.000 0.449 314 A N 0.471 123.356 122.820 0.109 0.000 1.978 314 A HA -0.134 4.187 4.320 0.001 0.000 0.220 314 A C 2.417 180.033 177.584 0.052 0.000 1.170 314 A CA 1.549 53.656 52.037 0.116 0.000 0.636 314 A CB -0.616 18.527 19.000 0.238 0.000 0.810 314 A HN 0.255 nan 8.150 nan 0.000 0.448 315 V N 0.603 120.534 119.914 0.028 0.000 2.323 315 V HA -0.194 3.927 4.120 0.001 0.000 0.244 315 V C 2.983 179.086 176.094 0.014 0.000 1.041 315 V CA 2.267 64.568 62.300 0.002 0.000 1.025 315 V CB -0.667 31.150 31.823 -0.009 0.000 0.656 315 V HN 0.811 nan 8.190 nan 0.000 0.451 316 S N -0.108 115.603 115.700 0.019 0.000 2.419 316 S HA -0.141 4.330 4.470 0.001 0.000 0.233 316 S C 1.588 176.200 174.600 0.020 0.000 1.016 316 S CA 0.899 59.111 58.200 0.019 0.000 0.974 316 S CB -0.247 62.961 63.200 0.014 0.000 0.786 316 S HN 0.515 nan 8.310 nan 0.000 0.492 317 K N 0.781 121.194 120.400 0.021 0.000 2.372 317 K HA 0.306 4.626 4.320 0.001 0.000 0.200 317 K C 1.284 177.894 176.600 0.018 0.000 1.022 317 K CA 0.513 56.811 56.287 0.019 0.000 1.125 317 K CB -0.175 32.337 32.500 0.018 0.000 0.855 317 K HN 0.546 nan 8.250 nan 0.000 0.524 318 G N 2.697 111.508 108.800 0.019 0.000 2.168 318 G HA2 -0.324 3.636 3.960 0.001 0.000 0.257 318 G HA3 -0.324 3.636 3.960 0.001 0.000 0.257 318 G C 0.919 175.822 174.900 0.006 0.000 0.997 318 G CA 0.409 45.520 45.100 0.017 0.000 0.708 318 G HN 0.221 nan 8.290 nan 0.000 0.520 319 R N -0.435 120.073 120.500 0.014 0.000 2.189 319 R HA 0.117 4.457 4.340 0.001 0.000 0.218 319 R C 1.189 177.497 176.300 0.014 0.000 1.074 319 R CA 1.385 57.489 56.100 0.006 0.000 0.991 319 R CB -0.425 29.904 30.300 0.049 0.000 0.883 319 R HN 0.516 nan 8.270 nan 0.000 0.457 320 T N -0.909 113.672 114.554 0.046 0.000 2.792 320 T HA 0.233 4.584 4.350 0.001 0.000 0.303 320 T C -0.546 174.148 174.700 -0.011 0.000 1.310 320 T CA -0.752 61.412 62.100 0.107 0.000 1.007 320 T CB 1.900 70.852 68.868 0.139 0.000 1.335 320 T HN -0.132 nan 8.240 nan 0.000 0.504 321 D N 0.630 120.987 120.400 -0.072 0.000 2.269 321 D HA 0.268 4.908 4.640 0.001 0.000 0.220 321 D C 0.410 176.434 176.300 -0.460 0.000 0.962 321 D CA 0.767 54.536 54.000 -0.385 0.000 0.884 321 D CB 0.503 40.946 40.800 -0.595 0.000 1.023 321 D HN 0.332 nan 8.370 nan 0.000 0.484 322 L N 0.511 121.525 121.223 -0.348 0.000 2.333 322 L HA 0.501 4.842 4.340 0.001 0.000 0.263 322 L C -0.829 175.855 176.870 -0.309 0.000 1.014 322 L CA -0.991 53.668 54.840 -0.302 0.000 0.820 322 L CB 3.037 44.909 42.059 -0.313 0.000 1.352 322 L HN -0.342 nan 8.230 nan 0.000 0.421 323 V N 0.930 120.677 119.914 -0.278 0.000 2.483 323 V HA 0.617 4.738 4.120 0.001 0.000 0.297 323 V C 0.053 175.974 176.094 -0.288 0.000 1.027 323 V CA -0.723 61.299 62.300 -0.464 0.000 0.855 323 V CB 1.542 33.029 31.823 -0.560 0.000 0.995 323 V HN 0.820 nan 8.190 nan 0.000 0.424 324 A N 4.660 127.251 122.820 -0.382 0.000 2.320 324 A HA 0.750 5.071 4.320 0.001 0.000 0.287 324 A C -1.040 176.402 177.584 -0.237 0.000 1.181 324 A CA -0.123 51.802 52.037 -0.186 0.000 0.831 324 A CB 0.055 18.956 19.000 -0.166 0.000 1.102 324 A HN 0.744 nan 8.150 nan 0.000 0.513 325 Y N 1.464 121.849 120.300 0.142 0.000 2.377 325 Y HA 0.525 5.076 4.550 0.001 0.000 0.339 325 Y C 1.250 177.248 175.900 0.164 0.000 1.011 325 Y CA 0.456 58.690 58.100 0.223 0.000 1.093 325 Y CB 2.398 41.055 38.460 0.328 0.000 1.201 325 Y HN 0.754 nan 8.280 nan 0.000 0.455 326 G N 1.959 110.862 108.800 0.173 0.000 2.534 326 G HA2 0.048 4.008 3.960 0.001 0.000 0.220 326 G HA3 0.048 4.008 3.960 0.001 0.000 0.220 326 G C 1.219 176.059 174.900 -0.100 0.000 1.699 326 G CA -0.231 44.854 45.100 -0.024 0.000 0.769 326 G HN 0.566 nan 8.290 nan 0.000 0.632 327 R N -0.478 119.864 120.500 -0.264 0.000 2.083 327 R HA -0.097 4.244 4.340 0.001 0.000 0.237 327 R C 2.388 178.533 176.300 -0.259 0.000 1.137 327 R CA 1.739 57.527 56.100 -0.520 0.000 0.951 327 R CB -0.369 29.357 30.300 -0.957 0.000 0.851 327 R HN 0.537 nan 8.270 nan 0.000 0.434 328 W N -0.722 120.637 121.300 0.098 0.000 2.374 328 W HA -0.166 4.494 4.660 0.001 0.000 0.288 328 W C 1.962 178.453 176.519 -0.046 0.000 1.218 328 W CA -0.107 57.296 57.345 0.096 0.000 1.245 328 W CB -0.222 29.320 29.460 0.136 0.000 1.126 328 W HN 0.042 nan 8.180 nan 0.000 0.545 329 F N 0.085 120.072 119.950 0.063 0.000 2.293 329 F HA -0.045 4.483 4.527 0.001 0.000 0.297 329 F C 2.195 177.859 175.800 -0.227 0.000 1.089 329 F CA 0.785 58.720 58.000 -0.109 0.000 1.377 329 F CB -0.975 37.987 39.000 -0.063 0.000 1.051 329 F HN -0.210 nan 8.300 nan 0.000 0.511 330 L N 0.113 121.317 121.223 -0.032 0.000 2.012 330 L HA -0.168 4.172 4.340 0.001 0.000 0.210 330 L C 2.230 178.822 176.870 -0.464 0.000 1.073 330 L CA 2.006 56.712 54.840 -0.223 0.000 0.748 330 L CB -0.613 41.218 42.059 -0.379 0.000 0.891 330 L HN 0.055 nan 8.230 nan 0.000 0.431 331 A N -1.111 121.380 122.820 -0.548 0.000 2.208 331 A HA 0.060 4.381 4.320 0.001 0.000 0.209 331 A C 0.464 177.776 177.584 -0.453 0.000 1.161 331 A CA 0.279 51.683 52.037 -1.054 0.000 0.782 331 A CB -0.266 18.496 19.000 -0.396 0.000 0.816 331 A HN 0.606 nan 8.150 nan 0.000 0.477 332 N N 0.132 118.692 118.700 -0.233 0.000 2.609 332 N HA 0.186 4.926 4.740 0.001 0.000 0.268 332 N C -2.604 172.759 175.510 -0.245 0.000 1.106 332 N CA -1.081 51.840 53.050 -0.215 0.000 0.823 332 N CB 1.935 40.274 38.487 -0.248 0.000 1.263 332 N HN 0.007 nan 8.380 nan 0.000 0.533 333 P HA -0.109 nan 4.420 nan 0.000 0.220 333 P C 0.101 177.285 177.300 -0.193 0.000 1.148 333 P CA 1.407 64.302 63.100 -0.342 0.000 0.803 333 P CB 0.145 31.340 31.700 -0.842 0.000 0.782 334 D N -0.811 119.416 120.400 -0.288 0.000 3.071 334 D HA 0.056 4.696 4.640 0.001 0.000 0.259 334 D C 1.370 177.428 176.300 -0.402 0.000 1.331 334 D CA -0.710 53.192 54.000 -0.163 0.000 0.861 334 D CB -0.631 40.191 40.800 0.035 0.000 1.059 334 D HN -0.070 nan 8.370 nan 0.000 0.486 335 L N 0.962 121.764 121.223 -0.702 0.000 1.990 335 L HA -0.080 4.260 4.340 0.001 0.000 0.213 335 L C -0.773 175.459 176.870 -1.062 0.000 1.072 335 L CA 2.267 56.435 54.840 -1.120 0.000 0.755 335 L CB -1.200 39.839 42.059 -1.701 0.000 0.889 335 L HN 0.066 nan 8.230 nan 0.000 0.432 336 P HA -0.186 nan 4.420 nan 0.000 0.216 336 P C 1.455 178.502 177.300 -0.422 0.000 1.150 336 P CA 1.550 64.263 63.100 -0.644 0.000 0.837 336 P CB 0.012 31.248 31.700 -0.773 0.000 0.786 337 K N 0.004 120.204 120.400 -0.333 0.000 2.025 337 K HA -0.078 4.242 4.320 0.001 0.000 0.207 337 K C 2.180 178.674 176.600 -0.176 0.000 1.049 337 K CA 1.195 57.365 56.287 -0.195 0.000 0.933 337 K CB -0.241 32.188 32.500 -0.117 0.000 0.714 337 K HN -0.155 nan 8.250 nan 0.000 0.438 338 R N -0.691 119.655 120.500 -0.257 0.000 2.105 338 R HA -0.126 4.215 4.340 0.001 0.000 0.239 338 R C 2.083 178.325 176.300 -0.096 0.000 1.135 338 R CA 1.485 57.454 56.100 -0.219 0.000 0.967 338 R CB -0.335 29.759 30.300 -0.344 0.000 0.861 338 R HN 0.206 nan 8.270 nan 0.000 0.442 339 F N 1.030 120.813 119.950 -0.279 0.000 2.259 339 F HA -0.079 4.448 4.527 0.001 0.000 0.298 339 F C 2.476 178.160 175.800 -0.193 0.000 1.088 339 F CA 0.791 58.631 58.000 -0.268 0.000 1.358 339 F CB -0.748 38.049 39.000 -0.339 0.000 1.040 339 F HN 0.092 nan 8.300 nan 0.000 0.505 340 Q N -0.309 119.496 119.800 0.009 0.000 2.291 340 Q HA -0.099 4.242 4.340 0.001 0.000 0.205 340 Q C 1.404 177.389 176.000 -0.025 0.000 0.970 340 Q CA 1.130 56.917 55.803 -0.027 0.000 0.876 340 Q CB 0.227 28.930 28.738 -0.059 0.000 0.935 340 Q HN 0.251 nan 8.270 nan 0.000 0.455 341 V N -0.147 119.752 119.914 -0.025 0.000 3.502 341 V HA -0.010 4.111 4.120 0.001 0.000 0.288 341 V C -0.181 175.896 176.094 -0.029 0.000 1.461 341 V CA 0.170 62.453 62.300 -0.030 0.000 1.029 341 V CB 0.669 32.470 31.823 -0.037 0.000 0.843 341 V HN 0.285 nan 8.190 nan 0.000 0.438 342 D N 1.974 122.362 120.400 -0.020 0.000 2.755 342 D HA -0.188 4.452 4.640 0.001 0.000 0.227 342 D C 0.406 176.683 176.300 -0.038 0.000 1.211 342 D CA 0.920 54.905 54.000 -0.025 0.000 0.663 342 D CB -0.534 40.238 40.800 -0.047 0.000 0.983 342 D HN 0.579 nan 8.370 nan 0.000 0.407 343 A N 1.445 124.238 122.820 -0.046 0.000 2.332 343 A HA 0.562 4.882 4.320 0.001 0.000 0.258 343 A C -1.845 175.690 177.584 -0.081 0.000 1.087 343 A CA -0.855 51.146 52.037 -0.059 0.000 0.802 343 A CB 0.423 19.385 19.000 -0.064 0.000 1.042 343 A HN 0.240 nan 8.150 nan 0.000 0.489 344 P HA 0.306 nan 4.420 nan 0.000 0.271 344 P C -0.933 176.295 177.300 -0.120 0.000 1.218 344 P CA 0.109 63.151 63.100 -0.096 0.000 0.780 344 P CB 0.470 32.134 31.700 -0.059 0.000 0.901 345 L N 2.391 123.512 121.223 -0.171 0.000 2.325 345 L HA 0.330 4.670 4.340 0.001 0.000 0.279 345 L C 0.900 177.766 176.870 -0.007 0.000 1.054 345 L CA -1.010 53.728 54.840 -0.169 0.000 0.804 345 L CB 0.421 42.221 42.059 -0.431 0.000 1.200 345 L HN 0.285 nan 8.230 nan 0.000 0.436 346 N N 2.305 121.044 118.700 0.065 0.000 2.412 346 N HA 0.028 4.768 4.740 0.001 0.000 0.254 346 N C -0.313 175.378 175.510 0.302 0.000 1.232 346 N CA 0.216 53.367 53.050 0.167 0.000 0.880 346 N CB 0.496 39.105 38.487 0.204 0.000 1.076 346 N HN 0.460 nan 8.380 nan 0.000 0.458 347 K N 1.709 122.251 120.400 0.236 0.000 2.355 347 K HA 0.030 4.350 4.320 0.001 0.000 0.270 347 K C -0.267 176.451 176.600 0.195 0.000 1.003 347 K CA -0.105 56.275 56.287 0.155 0.000 0.957 347 K CB 0.223 32.740 32.500 0.029 0.000 0.939 347 K HN 0.481 nan 8.250 nan 0.000 0.482 348 Y N -0.817 119.571 120.300 0.147 0.000 2.313 348 Y HA 0.259 4.810 4.550 0.001 0.000 0.332 348 Y C -0.305 175.699 175.900 0.173 0.000 1.071 348 Y CA -1.837 56.373 58.100 0.183 0.000 1.169 348 Y CB 0.668 39.175 38.460 0.077 0.000 1.192 348 Y HN 0.472 nan 8.280 nan 0.000 0.487 349 D N 3.616 124.300 120.400 0.472 0.000 2.500 349 D HA 0.225 4.865 4.640 0.001 0.000 0.219 349 D C 1.030 177.221 176.300 -0.182 0.000 1.137 349 D CA -0.228 53.870 54.000 0.163 0.000 0.946 349 D CB 0.415 41.319 40.800 0.173 0.000 1.022 349 D HN 0.637 nan 8.370 nan 0.000 0.518 350 R N 2.830 123.003 120.500 -0.546 0.000 2.113 350 R HA -0.134 4.206 4.340 0.001 0.000 0.244 350 R C -0.801 175.112 176.300 -0.646 0.000 1.142 350 R CA 1.431 56.778 56.100 -1.256 0.000 0.953 350 R CB -1.166 28.755 30.300 -0.632 0.000 0.860 350 R HN 0.452 nan 8.270 nan 0.000 0.438 351 P HA -0.073 nan 4.420 nan 0.000 0.226 351 P C 0.481 177.772 177.300 -0.015 0.000 1.146 351 P CA 1.419 64.471 63.100 -0.080 0.000 0.773 351 P CB -0.033 31.643 31.700 -0.040 0.000 0.772 352 T N -6.447 108.102 114.554 -0.008 0.000 3.182 352 T HA 0.207 4.557 4.350 0.001 0.000 0.277 352 T C 1.097 175.924 174.700 0.213 0.000 1.013 352 T CA -0.320 61.837 62.100 0.095 0.000 0.900 352 T CB -0.683 68.238 68.868 0.089 0.000 1.098 352 T HN -0.206 nan 8.240 nan 0.000 0.543 353 F N 1.855 121.746 119.950 -0.098 0.000 2.095 353 F HA 0.070 4.597 4.527 0.001 0.000 0.298 353 F C 1.245 176.789 175.800 -0.427 0.000 1.104 353 F CA 0.507 58.277 58.000 -0.384 0.000 1.232 353 F CB -0.699 37.842 39.000 -0.765 0.000 0.987 353 F HN 0.336 nan 8.300 nan 0.000 0.475 354 Y N -0.939 119.481 120.300 0.200 0.000 2.588 354 Y HA 0.180 4.731 4.550 0.001 0.000 0.247 354 Y C 1.184 177.115 175.900 0.052 0.000 1.157 354 Y CA -0.633 57.519 58.100 0.087 0.000 1.215 354 Y CB -0.869 37.646 38.460 0.092 0.000 1.245 354 Y HN -0.179 nan 8.280 nan 0.000 0.534 355 T N -1.670 112.976 114.554 0.155 0.000 2.726 355 T HA 0.129 4.479 4.350 0.001 0.000 0.294 355 T C 1.218 175.939 174.700 0.035 0.000 1.013 355 T CA 0.071 62.229 62.100 0.095 0.000 0.996 355 T CB 1.357 70.264 68.868 0.065 0.000 1.016 355 T HN 0.229 nan 8.240 nan 0.000 0.529 356 S N -1.727 113.997 115.700 0.040 0.000 2.593 356 S HA 0.141 4.612 4.470 0.001 0.000 0.236 356 S C 0.081 174.700 174.600 0.033 0.000 0.991 356 S CA -0.672 57.565 58.200 0.061 0.000 0.963 356 S CB -0.265 63.022 63.200 0.146 0.000 0.865 356 S HN 0.757 nan 8.310 nan 0.000 0.488 357 D N 2.848 123.222 120.400 -0.043 0.000 2.350 357 D HA 0.195 4.836 4.640 0.001 0.000 0.249 357 D C -1.599 174.570 176.300 -0.218 0.000 1.119 357 D CA -1.636 52.325 54.000 -0.065 0.000 0.886 357 D CB 1.813 42.592 40.800 -0.037 0.000 1.195 357 D HN 0.072 nan 8.370 nan 0.000 0.437 358 P HA -0.091 nan 4.420 nan 0.000 0.222 358 P C 1.136 178.344 177.300 -0.154 0.000 1.147 358 P CA 0.579 63.327 63.100 -0.587 0.000 0.790 358 P CB 0.538 32.096 31.700 -0.236 0.000 0.780 359 V N -1.942 117.963 119.914 -0.014 0.000 2.948 359 V HA 0.061 4.181 4.120 0.001 0.000 0.234 359 V C 1.034 177.173 176.094 0.075 0.000 1.205 359 V CA 0.221 62.571 62.300 0.083 0.000 1.234 359 V CB -0.139 31.717 31.823 0.055 0.000 1.020 359 V HN -0.251 nan 8.190 nan 0.000 0.491 360 V N 2.340 122.267 119.914 0.021 0.000 2.529 360 V HA 0.417 4.537 4.120 0.001 0.000 0.292 360 V C 1.489 177.591 176.094 0.013 0.000 1.028 360 V CA 1.200 63.498 62.300 -0.003 0.000 1.074 360 V CB -0.098 31.716 31.823 -0.015 0.000 0.958 360 V HN 0.795 nan 8.190 nan 0.000 0.481 361 G N 3.821 112.588 108.800 -0.054 0.000 2.233 361 G HA2 -0.346 3.614 3.960 0.001 0.000 0.270 361 G HA3 -0.346 3.614 3.960 0.001 0.000 0.270 361 G C 0.253 175.296 174.900 0.238 0.000 1.011 361 G CA 1.176 46.258 45.100 -0.030 0.000 0.762 361 G HN 0.945 nan 8.290 nan 0.000 0.511 362 Y N -0.402 119.913 120.300 0.025 0.000 2.921 362 Y HA 0.229 4.779 4.550 0.001 0.000 0.246 362 Y C 2.436 178.458 175.900 0.204 0.000 1.030 362 Y CA 1.955 60.093 58.100 0.063 0.000 1.338 362 Y CB 0.226 38.618 38.460 -0.114 0.000 1.493 362 Y HN 0.450 nan 8.280 nan 0.000 0.452 363 T N -2.473 112.123 114.554 0.069 0.000 3.040 363 T HA 0.148 4.498 4.350 0.001 0.000 0.266 363 T C 0.414 175.140 174.700 0.043 0.000 1.005 363 T CA 0.415 62.525 62.100 0.015 0.000 0.906 363 T CB -0.065 68.813 68.868 0.017 0.000 1.082 363 T HN 0.351 nan 8.240 nan 0.000 0.531 364 D N -0.082 120.322 120.400 0.006 0.000 2.328 364 D HA 0.035 4.675 4.640 0.001 0.000 0.221 364 D C -0.282 175.954 176.300 -0.108 0.000 1.072 364 D CA -0.586 53.387 54.000 -0.045 0.000 0.850 364 D CB -0.774 39.985 40.800 -0.068 0.000 0.922 364 D HN 0.401 nan 8.370 nan 0.000 0.516 365 Y N 2.082 122.370 120.300 -0.019 0.000 2.544 365 Y HA 0.237 4.787 4.550 0.001 0.000 0.330 365 Y C -1.718 174.106 175.900 -0.127 0.000 1.136 365 Y CA -1.783 56.286 58.100 -0.050 0.000 1.417 365 Y CB 0.298 38.724 38.460 -0.056 0.000 1.229 365 Y HN -0.016 nan 8.280 nan 0.000 0.532 366 P HA 0.157 nan 4.420 nan 0.000 0.284 366 P C -0.755 176.505 177.300 -0.067 0.000 1.253 366 P CA -0.371 62.743 63.100 0.024 0.000 0.800 366 P CB 0.768 32.509 31.700 0.069 0.000 0.961 367 F N 0.564 120.525 119.950 0.019 0.000 2.435 367 F HA 0.140 4.668 4.527 0.001 0.000 0.316 367 F C 1.456 177.247 175.800 -0.015 0.000 1.220 367 F CA -0.306 57.689 58.000 -0.010 0.000 1.241 367 F CB -0.108 38.883 39.000 -0.016 0.000 1.234 367 F HN 0.079 nan 8.300 nan 0.000 0.569 368 L N 2.479 123.807 121.223 0.174 0.000 2.562 368 L HA -0.011 4.329 4.340 0.001 0.000 0.271 368 L C 0.629 177.542 176.870 0.072 0.000 1.167 368 L CA -0.266 54.620 54.840 0.076 0.000 0.917 368 L CB -0.160 41.920 42.059 0.035 0.000 1.187 368 L HN 0.544 nan 8.230 nan 0.000 0.482 369 E N 0.000 120.231 120.200 0.052 0.000 2.725 369 E HA 0.000 4.350 4.350 0.001 0.000 0.291 369 E CA 0.000 56.423 56.400 0.038 0.000 0.976 369 E CB 0.000 29.715 29.700 0.025 0.000 0.812 369 E HN 0.000 nan 8.360 nan 0.000 0.440