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 2c6h_1_A DATA FIRST_RESID 14 DATA SEQUENCE VLDLGALGQD FAADPYPTYA RLRAEGPAHR VRTPEGDEVW LVVGYDRARA DATA SEQUENCE VLADPRFSKD WRNSTTPLTE AEAALNHNML ESDPPRHTRL RKLVAREFTM DATA SEQUENCE RRVELLRPRV QEIVDGLVDA MLAAPDGRAD LMESLAWPLP ITVISELLGV DATA SEQUENCE PEPDRAAFRV WTDAFVFPDD PAQAQTAMAE MSGYLSRLID SKRGQDGEDL DATA SEQUENCE LSALVRTSDE DGSRLTSEEL LGMAHILLVA GHETTVNLIA NGMYALLSHP DATA SEQUENCE DQLAALRADM TLLDGAVEEM LRYEGPVESA TYRFPVEPVD LDGTVIPAGD DATA SEQUENCE TVLVVLADAH RTPERFPDPH RFDIRRDTAG HLAFGHGIHF CIGAPLARLE DATA SEQUENCE ARIAVRALLE RCPDLALDVS PGELVWYPNP MIRGLKALPI RWRR 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 14 V HA 0.000 nan 4.120 nan 0.000 0.244 14 V C 0.000 176.037 176.094 -0.095 0.000 1.182 14 V CA 0.000 62.238 62.300 -0.103 0.000 1.235 14 V CB 0.000 31.756 31.823 -0.112 0.000 1.184 15 L N 3.709 124.871 121.223 -0.101 0.000 2.410 15 L HA 0.559 4.899 4.340 -0.000 0.000 0.273 15 L C 0.098 176.888 176.870 -0.132 0.000 1.144 15 L CA 0.691 55.461 54.840 -0.117 0.000 0.863 15 L CB 0.834 42.813 42.059 -0.132 0.000 1.140 15 L HN 0.769 nan 8.230 nan 0.000 0.463 16 D N 3.997 124.318 120.400 -0.130 0.000 2.412 16 D HA 0.189 4.829 4.640 -0.000 0.000 0.224 16 D C 0.975 177.169 176.300 -0.177 0.000 1.093 16 D CA -0.160 53.766 54.000 -0.123 0.000 0.850 16 D CB 0.603 41.352 40.800 -0.086 0.000 1.046 16 D HN 0.634 nan 8.370 nan 0.000 0.507 17 L N 3.000 124.095 121.223 -0.213 0.000 2.275 17 L HA 0.067 4.407 4.340 -0.000 0.000 0.215 17 L C 2.377 179.144 176.870 -0.171 0.000 1.119 17 L CA 0.944 55.576 54.840 -0.347 0.000 0.790 17 L CB -0.215 41.651 42.059 -0.322 0.000 0.919 17 L HN 0.559 nan 8.230 nan 0.000 0.443 18 G N 0.070 108.826 108.800 -0.073 0.000 2.418 18 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.217 18 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.217 18 G C 1.637 176.526 174.900 -0.019 0.000 1.158 18 G CA 0.677 45.769 45.100 -0.013 0.000 0.771 18 G HN 0.459 nan 8.290 nan 0.000 0.545 19 A N -0.074 122.717 122.820 -0.049 0.000 2.239 19 A HA 0.347 4.667 4.320 -0.000 0.000 0.209 19 A C 2.122 179.681 177.584 -0.043 0.000 1.171 19 A CA 0.456 52.468 52.037 -0.041 0.000 0.768 19 A CB -0.217 18.754 19.000 -0.049 0.000 0.790 19 A HN 0.383 nan 8.150 nan 0.000 0.478 20 L N -1.686 119.503 121.223 -0.057 0.000 2.477 20 L HA 0.253 4.593 4.340 -0.000 0.000 0.220 20 L C 1.607 178.505 176.870 0.048 0.000 1.106 20 L CA 0.363 55.183 54.840 -0.032 0.000 0.851 20 L CB -0.761 41.227 42.059 -0.119 0.000 0.994 20 L HN 0.565 nan 8.230 nan 0.000 0.462 21 G N 0.725 109.563 108.800 0.064 0.000 2.645 21 G HA2 -0.448 3.512 3.960 -0.000 0.000 0.246 21 G HA3 -0.448 3.512 3.960 -0.000 0.000 0.246 21 G C 0.402 175.366 174.900 0.108 0.000 1.322 21 G CA 0.570 45.717 45.100 0.079 0.000 0.898 21 G HN 0.261 nan 8.290 nan 0.000 0.573 22 Q N -0.393 119.454 119.800 0.078 0.000 2.297 22 Q HA -0.055 4.285 4.340 -0.000 0.000 0.208 22 Q C 2.019 178.047 176.000 0.047 0.000 0.981 22 Q CA 2.609 58.454 55.803 0.070 0.000 0.876 22 Q CB -0.290 28.484 28.738 0.060 0.000 0.921 22 Q HN 0.616 nan 8.270 nan 0.000 0.446 23 D N -0.599 119.831 120.400 0.051 0.000 2.104 23 D HA -0.177 4.463 4.640 -0.000 0.000 0.194 23 D C 1.424 177.734 176.300 0.017 0.000 0.994 23 D CA 1.225 55.243 54.000 0.030 0.000 0.830 23 D CB -0.314 40.508 40.800 0.036 0.000 0.959 23 D HN 0.369 nan 8.370 nan 0.000 0.452 24 F N 1.531 121.423 119.950 -0.097 0.000 2.206 24 F HA 0.024 4.551 4.527 -0.000 0.000 0.298 24 F C 2.165 177.857 175.800 -0.179 0.000 1.090 24 F CA 1.071 58.977 58.000 -0.158 0.000 1.323 24 F CB -0.214 38.700 39.000 -0.142 0.000 1.028 24 F HN -0.101 nan 8.300 nan 0.000 0.492 25 A N 0.393 123.087 122.820 -0.210 0.000 1.898 25 A HA 0.021 4.341 4.320 -0.000 0.000 0.216 25 A C 2.406 179.768 177.584 -0.370 0.000 1.181 25 A CA 1.606 53.487 52.037 -0.260 0.000 0.620 25 A CB -1.466 17.543 19.000 0.014 0.000 0.819 25 A HN 0.455 nan 8.150 nan 0.000 0.442 26 A N -1.152 121.496 122.820 -0.287 0.000 1.929 26 A HA 0.075 4.395 4.320 -0.000 0.000 0.216 26 A C 0.931 178.164 177.584 -0.586 0.000 1.176 26 A CA 1.693 53.447 52.037 -0.471 0.000 0.628 26 A CB -0.100 18.843 19.000 -0.096 0.000 0.816 26 A HN 0.425 nan 8.150 nan 0.000 0.444 27 D N -2.168 117.993 120.400 -0.398 0.000 2.472 27 D HA 0.243 4.883 4.640 -0.000 0.000 0.248 27 D C -2.159 173.916 176.300 -0.375 0.000 1.271 27 D CA -1.299 52.526 54.000 -0.292 0.000 0.888 27 D CB 1.283 42.010 40.800 -0.122 0.000 1.337 27 D HN 0.053 nan 8.370 nan 0.000 0.526 28 P HA -0.091 nan 4.420 nan 0.000 0.231 28 P C 1.040 177.872 177.300 -0.779 0.000 1.168 28 P CA 0.388 62.850 63.100 -1.063 0.000 0.779 28 P CB 0.237 30.932 31.700 -1.674 0.000 0.844 29 Y N 1.456 121.575 120.300 -0.302 0.000 2.069 29 Y HA -0.170 4.380 4.550 -0.000 0.000 0.278 29 Y C -0.039 175.847 175.900 -0.022 0.000 1.175 29 Y CA 2.066 60.128 58.100 -0.063 0.000 1.134 29 Y CB -2.796 35.662 38.460 -0.005 0.000 0.965 29 Y HN 0.152 nan 8.280 nan 0.000 0.498 30 P HA -0.157 nan 4.420 nan 0.000 0.216 30 P C 1.513 178.834 177.300 0.034 0.000 1.150 30 P CA 2.461 65.594 63.100 0.055 0.000 0.843 30 P CB -0.144 31.563 31.700 0.011 0.000 0.787 31 T N -1.760 112.778 114.554 -0.026 0.000 2.708 31 T HA -0.188 4.162 4.350 -0.000 0.000 0.266 31 T C 1.610 176.327 174.700 0.028 0.000 1.037 31 T CA 1.418 63.493 62.100 -0.041 0.000 1.146 31 T CB -1.138 67.698 68.868 -0.053 0.000 0.865 31 T HN 0.212 nan 8.240 nan 0.000 0.435 32 Y N 1.243 121.601 120.300 0.096 0.000 2.145 32 Y HA -0.080 4.470 4.550 -0.000 0.000 0.286 32 Y C 2.968 178.906 175.900 0.064 0.000 1.145 32 Y CA 0.383 58.523 58.100 0.068 0.000 1.148 32 Y CB -0.397 38.104 38.460 0.070 0.000 0.981 32 Y HN 0.190 nan 8.280 nan 0.000 0.507 33 A N 0.536 123.514 122.820 0.263 0.000 1.940 33 A HA -0.246 4.074 4.320 -0.000 0.000 0.219 33 A C 2.205 179.863 177.584 0.123 0.000 1.176 33 A CA 1.742 53.897 52.037 0.195 0.000 0.631 33 A CB -0.766 18.356 19.000 0.203 0.000 0.814 33 A HN 0.432 nan 8.150 nan 0.000 0.446 34 R N -0.231 120.319 120.500 0.083 0.000 2.091 34 R HA -0.104 4.236 4.340 -0.000 0.000 0.238 34 R C 1.912 178.205 176.300 -0.010 0.000 1.136 34 R CA 1.722 57.840 56.100 0.030 0.000 0.959 34 R CB -0.389 29.911 30.300 -0.001 0.000 0.856 34 R HN 0.554 nan 8.270 nan 0.000 0.437 35 L N -0.009 121.176 121.223 -0.064 0.000 2.072 35 L HA -0.086 4.254 4.340 -0.000 0.000 0.205 35 L C 2.903 179.787 176.870 0.024 0.000 1.079 35 L CA 1.092 55.752 54.840 -0.299 0.000 0.752 35 L CB -0.574 41.180 42.059 -0.509 0.000 0.906 35 L HN 0.242 nan 8.230 nan 0.000 0.436 36 R N 0.745 121.323 120.500 0.128 0.000 2.105 36 R HA -0.209 4.131 4.340 -0.000 0.000 0.239 36 R C 2.301 178.697 176.300 0.161 0.000 1.135 36 R CA 1.531 57.741 56.100 0.184 0.000 0.967 36 R CB -0.227 30.167 30.300 0.157 0.000 0.861 36 R HN 0.358 nan 8.270 nan 0.000 0.442 37 A N 1.103 123.995 122.820 0.120 0.000 1.908 37 A HA -0.205 4.114 4.320 -0.000 0.000 0.218 37 A C 1.876 179.527 177.584 0.111 0.000 1.181 37 A CA 1.770 53.867 52.037 0.100 0.000 0.627 37 A CB -0.355 18.690 19.000 0.076 0.000 0.818 37 A HN 0.542 nan 8.150 nan 0.000 0.445 38 E N -1.259 119.026 120.200 0.142 0.000 2.076 38 E HA 0.298 4.647 4.350 -0.000 0.000 0.190 38 E C 1.033 177.749 176.600 0.194 0.000 0.979 38 E CA 0.441 56.943 56.400 0.170 0.000 0.807 38 E CB 0.009 29.834 29.700 0.209 0.000 0.761 38 E HN 0.581 nan 8.360 nan 0.000 0.454 39 G N -0.153 108.814 108.800 0.278 0.000 2.441 39 G HA2 0.128 4.088 3.960 -0.000 0.000 0.294 39 G HA3 0.128 4.088 3.960 -0.000 0.000 0.294 39 G C -2.588 172.387 174.900 0.125 0.000 1.393 39 G CA -0.775 44.401 45.100 0.127 0.000 0.796 39 G HN -0.258 nan 8.290 nan 0.000 0.494 40 P HA 0.224 nan 4.420 nan 0.000 0.221 40 P C 0.622 177.889 177.300 -0.054 0.000 1.155 40 P CA 1.241 64.340 63.100 -0.003 0.000 0.812 40 P CB 0.686 32.372 31.700 -0.023 0.000 0.801 41 A N 0.247 122.943 122.820 -0.207 0.000 2.355 41 A HA 0.688 5.008 4.320 -0.000 0.000 0.317 41 A C -0.786 176.642 177.584 -0.260 0.000 1.094 41 A CA -0.499 51.485 52.037 -0.088 0.000 0.764 41 A CB 0.997 19.969 19.000 -0.047 0.000 1.230 41 A HN 0.095 nan 8.150 nan 0.000 0.448 42 H N 1.115 120.418 119.070 0.388 0.000 2.894 42 H HA 0.357 4.913 4.556 -0.000 0.000 0.367 42 H C -0.793 174.506 175.328 -0.047 0.000 1.144 42 H CA -0.638 55.527 56.048 0.196 0.000 1.180 42 H CB 1.748 31.564 29.762 0.091 0.000 1.758 42 H HN 0.705 nan 8.280 nan 0.000 0.541 43 R N 1.577 121.878 120.500 -0.331 0.000 2.297 43 R HA 0.459 4.799 4.340 -0.000 0.000 0.308 43 R C -0.185 175.945 176.300 -0.285 0.000 1.029 43 R CA -0.567 55.134 56.100 -0.666 0.000 0.929 43 R CB 1.201 30.965 30.300 -0.894 0.000 1.046 43 R HN 0.446 nan 8.270 nan 0.000 0.461 44 V N -0.025 119.748 119.914 -0.235 0.000 3.182 44 V HA 0.621 4.741 4.120 -0.000 0.000 0.308 44 V C -1.050 174.971 176.094 -0.122 0.000 1.240 44 V CA -1.228 60.989 62.300 -0.138 0.000 1.063 44 V CB 2.194 33.974 31.823 -0.073 0.000 1.076 44 V HN 0.769 nan 8.190 nan 0.000 0.446 45 R N 1.659 122.105 120.500 -0.091 0.000 2.371 45 R HA 0.541 4.881 4.340 -0.000 0.000 0.312 45 R C 0.139 176.422 176.300 -0.028 0.000 0.980 45 R CA 0.233 56.298 56.100 -0.058 0.000 0.867 45 R CB 1.264 31.528 30.300 -0.058 0.000 1.163 45 R HN 1.186 nan 8.270 nan 0.000 0.492 46 T N 1.782 116.345 114.554 0.015 0.000 2.791 46 T HA 0.096 4.446 4.350 -0.000 0.000 0.323 46 T C -1.690 173.042 174.700 0.054 0.000 1.082 46 T CA -1.084 61.052 62.100 0.060 0.000 1.084 46 T CB 0.696 69.629 68.868 0.108 0.000 0.992 46 T HN 0.352 nan 8.240 nan 0.000 0.547 47 P HA -0.095 nan 4.420 nan 0.000 0.216 47 P C 1.021 178.360 177.300 0.065 0.000 1.150 47 P CA 1.155 64.299 63.100 0.073 0.000 0.843 47 P CB -0.058 31.709 31.700 0.111 0.000 0.787 48 E N -1.760 118.488 120.200 0.079 0.000 2.482 48 E HA 0.172 4.522 4.350 -0.000 0.000 0.196 48 E C 1.449 178.085 176.600 0.060 0.000 1.047 48 E CA 0.873 57.317 56.400 0.073 0.000 0.869 48 E CB -0.841 28.914 29.700 0.092 0.000 0.836 48 E HN 0.212 nan 8.360 nan 0.000 0.520 49 G N 0.502 109.332 108.800 0.049 0.000 2.148 49 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.203 49 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.203 49 G C -0.660 174.261 174.900 0.035 0.000 0.993 49 G CA -0.204 44.916 45.100 0.032 0.000 0.661 49 G HN 0.213 nan 8.290 nan 0.000 0.518 50 D N 1.797 122.230 120.400 0.055 0.000 2.343 50 D HA 0.503 5.143 4.640 -0.000 0.000 0.255 50 D C 0.698 177.003 176.300 0.008 0.000 1.187 50 D CA 0.874 54.909 54.000 0.057 0.000 0.875 50 D CB 1.059 41.927 40.800 0.112 0.000 1.136 50 D HN 0.689 nan 8.370 nan 0.000 0.469 51 E N 1.773 121.962 120.200 -0.018 0.000 2.105 51 E HA 0.463 4.813 4.350 -0.000 0.000 0.285 51 E C 0.095 176.636 176.600 -0.097 0.000 1.055 51 E CA -0.701 55.653 56.400 -0.076 0.000 0.843 51 E CB 0.763 30.415 29.700 -0.081 0.000 1.067 51 E HN 0.391 nan 8.360 nan 0.000 0.398 52 V N -1.612 118.225 119.914 -0.129 0.000 3.156 52 V HA 0.905 5.025 4.120 -0.000 0.000 0.311 52 V C -1.042 174.952 176.094 -0.167 0.000 1.208 52 V CA -1.526 60.712 62.300 -0.102 0.000 1.063 52 V CB 1.457 33.248 31.823 -0.053 0.000 1.098 52 V HN 0.723 nan 8.190 nan 0.000 0.452 53 W N 0.296 121.575 121.300 -0.035 0.000 2.606 53 W HA 0.835 5.495 4.660 -0.000 0.000 0.332 53 W C -0.687 175.826 176.519 -0.009 0.000 1.052 53 W CA -0.501 56.839 57.345 -0.008 0.000 1.223 53 W CB 1.797 31.252 29.460 -0.008 0.000 1.383 53 W HN 0.527 nan 8.180 nan 0.000 0.524 54 L N 3.241 124.638 121.223 0.291 0.000 2.346 54 L HA 0.638 4.978 4.340 -0.000 0.000 0.276 54 L C -0.654 176.311 176.870 0.157 0.000 1.006 54 L CA -1.305 53.635 54.840 0.167 0.000 0.817 54 L CB 1.517 43.663 42.059 0.143 0.000 1.272 54 L HN 0.011 nan 8.230 nan 0.000 0.421 55 V N 3.979 123.915 119.914 0.037 0.000 2.357 55 V HA 0.413 4.533 4.120 -0.000 0.000 0.284 55 V C 0.078 176.150 176.094 -0.037 0.000 1.018 55 V CA -0.575 61.718 62.300 -0.012 0.000 0.841 55 V CB 1.899 33.655 31.823 -0.111 0.000 0.991 55 V HN 0.540 nan 8.190 nan 0.000 0.437 56 V N 1.848 121.778 119.914 0.026 0.000 3.096 56 V HA 1.105 5.225 4.120 -0.000 0.000 0.319 56 V C 0.257 176.373 176.094 0.036 0.000 1.103 56 V CA -0.394 61.916 62.300 0.018 0.000 1.016 56 V CB 1.306 33.185 31.823 0.093 0.000 1.090 56 V HN 1.668 nan 8.190 nan 0.000 0.449 57 G N 0.044 108.879 108.800 0.058 0.000 3.190 57 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.686 57 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.686 57 G C -0.593 174.355 174.900 0.081 0.000 1.033 57 G CA 0.251 45.406 45.100 0.092 0.000 0.797 57 G HN 1.798 nan 8.290 nan 0.000 0.567 58 Y N 1.613 121.936 120.300 0.039 0.000 2.081 58 Y HA -0.224 4.326 4.550 -0.000 0.000 0.280 58 Y C 2.484 178.384 175.900 0.001 0.000 1.163 58 Y CA 2.780 60.903 58.100 0.038 0.000 1.135 58 Y CB 0.073 38.578 38.460 0.074 0.000 0.970 58 Y HN 0.648 nan 8.280 nan 0.000 0.498 59 D N -0.341 120.149 120.400 0.150 0.000 2.104 59 D HA -0.196 4.444 4.640 -0.000 0.000 0.194 59 D C 2.253 178.500 176.300 -0.089 0.000 0.994 59 D CA 1.606 55.627 54.000 0.035 0.000 0.830 59 D CB -0.409 40.445 40.800 0.090 0.000 0.959 59 D HN 0.203 nan 8.370 nan 0.000 0.452 60 R N 1.093 121.555 120.500 -0.063 0.000 2.081 60 R HA -0.041 4.299 4.340 -0.000 0.000 0.235 60 R C 2.028 178.228 176.300 -0.166 0.000 1.131 60 R CA 1.635 57.678 56.100 -0.095 0.000 0.960 60 R CB -0.721 29.540 30.300 -0.064 0.000 0.856 60 R HN 0.105 nan 8.270 nan 0.000 0.436 61 A N 0.362 123.067 122.820 -0.191 0.000 1.877 61 A HA -0.174 4.146 4.320 -0.000 0.000 0.216 61 A C 2.254 179.679 177.584 -0.266 0.000 1.186 61 A CA 1.647 53.543 52.037 -0.236 0.000 0.620 61 A CB -0.605 18.255 19.000 -0.234 0.000 0.822 61 A HN 0.397 nan 8.150 nan 0.000 0.443 62 R N -0.492 119.785 120.500 -0.371 0.000 2.081 62 R HA -0.095 4.245 4.340 -0.000 0.000 0.235 62 R C 2.341 178.578 176.300 -0.105 0.000 1.131 62 R CA 1.408 57.316 56.100 -0.319 0.000 0.960 62 R CB -0.404 29.579 30.300 -0.528 0.000 0.856 62 R HN 0.452 nan 8.270 nan 0.000 0.436 63 A N 0.241 122.986 122.820 -0.125 0.000 1.858 63 A HA -0.128 4.192 4.320 -0.000 0.000 0.216 63 A C 2.265 179.782 177.584 -0.112 0.000 1.190 63 A CA 1.724 53.720 52.037 -0.068 0.000 0.617 63 A CB -0.724 18.233 19.000 -0.072 0.000 0.827 63 A HN 0.228 nan 8.150 nan 0.000 0.443 64 V N 0.189 119.957 119.914 -0.243 0.000 2.343 64 V HA -0.264 3.856 4.120 -0.000 0.000 0.247 64 V C 2.546 178.436 176.094 -0.340 0.000 1.051 64 V CA 1.916 63.927 62.300 -0.482 0.000 1.036 64 V CB -0.787 30.610 31.823 -0.710 0.000 0.654 64 V HN 0.568 nan 8.190 nan 0.000 0.451 65 L N -0.025 121.089 121.223 -0.182 0.000 2.127 65 L HA -0.169 4.171 4.340 -0.000 0.000 0.211 65 L C 2.165 179.016 176.870 -0.032 0.000 1.089 65 L CA 1.640 56.436 54.840 -0.074 0.000 0.757 65 L CB -0.457 41.619 42.059 0.027 0.000 0.899 65 L HN 0.403 nan 8.230 nan 0.000 0.434 66 A N -2.326 120.481 122.820 -0.022 0.000 2.470 66 A HA 0.037 4.357 4.320 -0.000 0.000 0.251 66 A C 0.386 177.960 177.584 -0.016 0.000 1.245 66 A CA -0.307 51.692 52.037 -0.063 0.000 0.932 66 A CB -0.036 18.885 19.000 -0.133 0.000 1.037 66 A HN 0.145 nan 8.150 nan 0.000 0.522 67 D N 0.956 121.364 120.400 0.013 0.000 2.336 67 D HA 0.215 4.855 4.640 -0.000 0.000 0.249 67 D C -1.766 174.632 176.300 0.163 0.000 1.213 67 D CA -1.671 52.391 54.000 0.102 0.000 0.870 67 D CB 1.329 42.235 40.800 0.177 0.000 1.076 67 D HN 0.011 nan 8.370 nan 0.000 0.483 68 P HA -0.107 nan 4.420 nan 0.000 0.220 68 P C 1.043 178.377 177.300 0.056 0.000 1.144 68 P CA 0.878 64.011 63.100 0.055 0.000 0.800 68 P CB 0.220 31.932 31.700 0.019 0.000 0.772 69 R N -1.934 118.605 120.500 0.065 0.000 2.285 69 R HA -0.003 4.337 4.340 -0.000 0.000 0.213 69 R C 0.047 176.199 176.300 -0.246 0.000 1.068 69 R CA 0.512 56.558 56.100 -0.091 0.000 1.004 69 R CB -0.384 29.824 30.300 -0.153 0.000 0.873 69 R HN 0.234 nan 8.270 nan 0.000 0.467 70 F N 0.326 120.244 119.950 -0.054 0.000 2.293 70 F HA 0.215 4.742 4.527 0.000 0.000 0.370 70 F C 0.544 176.305 175.800 -0.065 0.000 1.090 70 F CA -0.611 57.343 58.000 -0.076 0.000 1.133 70 F CB 1.288 40.225 39.000 -0.105 0.000 1.360 70 F HN -0.200 nan 8.300 nan 0.000 0.489 71 S N 2.423 118.154 115.700 0.052 0.000 2.632 71 S HA 0.346 4.816 4.470 -0.000 0.000 0.267 71 S C 0.841 175.445 174.600 0.007 0.000 1.276 71 S CA -0.460 57.780 58.200 0.067 0.000 0.998 71 S CB 0.836 64.094 63.200 0.096 0.000 0.953 71 S HN 0.718 nan 8.310 nan 0.000 0.547 72 K N 0.828 121.245 120.400 0.028 0.000 2.447 72 K HA 0.180 4.500 4.320 -0.000 0.000 0.205 72 K C -0.649 176.012 176.600 0.101 0.000 1.059 72 K CA -0.295 55.946 56.287 -0.076 0.000 1.065 72 K CB 0.373 32.755 32.500 -0.196 0.000 0.885 72 K HN 0.531 nan 8.250 nan 0.000 0.545 73 D N -0.086 120.423 120.400 0.182 0.000 2.316 73 D HA 0.018 4.658 4.640 -0.000 0.000 0.245 73 D C 0.343 176.741 176.300 0.164 0.000 1.171 73 D CA -0.408 53.707 54.000 0.191 0.000 0.856 73 D CB 0.529 41.415 40.800 0.143 0.000 1.090 73 D HN 0.044 nan 8.370 nan 0.000 0.476 74 W N 3.217 124.565 121.300 0.080 0.000 2.424 74 W HA -0.073 4.587 4.660 -0.000 0.000 0.264 74 W C 2.218 178.608 176.519 -0.215 0.000 1.229 74 W CA 0.123 57.371 57.345 -0.161 0.000 1.208 74 W CB -0.110 29.290 29.460 -0.099 0.000 1.127 74 W HN 0.405 nan 8.180 nan 0.000 0.588 75 R N 0.069 120.616 120.500 0.079 0.000 2.241 75 R HA -0.099 4.241 4.340 -0.000 0.000 0.224 75 R C 1.015 177.289 176.300 -0.044 0.000 1.101 75 R CA 0.978 57.092 56.100 0.024 0.000 0.995 75 R CB -0.308 30.017 30.300 0.042 0.000 0.870 75 R HN 0.198 nan 8.270 nan 0.000 0.463 76 N N -0.224 118.422 118.700 -0.090 0.000 2.230 76 N HA -0.013 4.727 4.740 -0.000 0.000 0.202 76 N C -0.317 175.022 175.510 -0.285 0.000 1.119 76 N CA 0.175 53.162 53.050 -0.104 0.000 0.851 76 N CB 1.082 39.575 38.487 0.009 0.000 0.990 76 N HN -0.060 nan 8.380 nan 0.000 0.497 77 S N -0.353 114.983 115.700 -0.606 0.000 2.462 77 S HA 0.264 4.734 4.470 -0.000 0.000 0.294 77 S C 1.202 175.598 174.600 -0.340 0.000 1.144 77 S CA -0.414 57.227 58.200 -0.933 0.000 1.088 77 S CB 1.174 63.219 63.200 -1.925 0.000 1.009 77 S HN 0.055 nan 8.310 nan 0.000 0.484 78 T N 3.360 117.796 114.554 -0.195 0.000 2.821 78 T HA -0.009 4.341 4.350 -0.000 0.000 0.267 78 T C 0.702 175.389 174.700 -0.020 0.000 1.046 78 T CA 1.242 63.302 62.100 -0.067 0.000 1.139 78 T CB -0.268 68.591 68.868 -0.016 0.000 0.871 78 T HN 0.678 nan 8.240 nan 0.000 0.454 79 T N 4.538 119.095 114.554 0.005 0.000 2.814 79 T HA 0.280 4.630 4.350 -0.000 0.000 0.297 79 T C -2.281 172.534 174.700 0.191 0.000 0.956 79 T CA -1.069 61.102 62.100 0.118 0.000 1.123 79 T CB 1.208 70.203 68.868 0.212 0.000 0.902 79 T HN 0.190 nan 8.240 nan 0.000 0.528 80 P HA 0.354 nan 4.420 nan 0.000 0.282 80 P C -0.389 176.881 177.300 -0.050 0.000 1.259 80 P CA -0.705 62.431 63.100 0.060 0.000 0.826 80 P CB 1.045 32.750 31.700 0.007 0.000 1.064 81 L N 1.369 122.452 121.223 -0.233 0.000 2.452 81 L HA 0.181 4.521 4.340 -0.000 0.000 0.267 81 L C 1.718 178.428 176.870 -0.265 0.000 1.188 81 L CA -0.033 54.510 54.840 -0.497 0.000 0.821 81 L CB 0.280 41.971 42.059 -0.614 0.000 1.102 81 L HN 0.526 nan 8.230 nan 0.000 0.470 82 T N -2.239 112.163 114.554 -0.253 0.000 2.771 82 T HA 0.066 4.416 4.350 -0.000 0.000 0.290 82 T C 0.901 175.508 174.700 -0.154 0.000 1.005 82 T CA -0.465 61.542 62.100 -0.154 0.000 0.944 82 T CB 0.995 69.788 68.868 -0.125 0.000 1.147 82 T HN 0.739 nan 8.240 nan 0.000 0.534 83 E N 0.185 120.319 120.200 -0.110 0.000 2.051 83 E HA -0.122 4.228 4.350 -0.000 0.000 0.192 83 E C 2.297 178.827 176.600 -0.116 0.000 0.991 83 E CA 1.063 57.404 56.400 -0.098 0.000 0.799 83 E CB -0.595 29.064 29.700 -0.069 0.000 0.748 83 E HN 0.763 nan 8.360 nan 0.000 0.449 84 A N 0.765 123.512 122.820 -0.122 0.000 2.014 84 A HA -0.158 4.162 4.320 -0.000 0.000 0.218 84 A C 1.807 179.275 177.584 -0.194 0.000 1.163 84 A CA 1.337 53.291 52.037 -0.139 0.000 0.652 84 A CB -0.338 18.590 19.000 -0.121 0.000 0.808 84 A HN 0.338 nan 8.150 nan 0.000 0.449 85 E N -0.120 119.942 120.200 -0.231 0.000 2.112 85 E HA 0.025 4.375 4.350 -0.000 0.000 0.190 85 E C 2.098 178.507 176.600 -0.318 0.000 0.979 85 E CA 0.689 56.899 56.400 -0.317 0.000 0.814 85 E CB -0.241 29.218 29.700 -0.402 0.000 0.762 85 E HN 0.575 nan 8.360 nan 0.000 0.460 86 A N 1.266 123.929 122.820 -0.262 0.000 2.178 86 A HA -0.005 4.315 4.320 -0.000 0.000 0.218 86 A C 2.202 179.727 177.584 -0.098 0.000 1.157 86 A CA 1.286 53.205 52.037 -0.197 0.000 0.689 86 A CB -0.361 18.556 19.000 -0.138 0.000 0.787 86 A HN 0.262 nan 8.150 nan 0.000 0.465 87 A N -1.027 121.721 122.820 -0.120 0.000 2.132 87 A HA 0.388 4.708 4.320 -0.000 0.000 0.213 87 A C 1.544 179.079 177.584 -0.081 0.000 1.154 87 A CA 0.752 52.744 52.037 -0.075 0.000 0.753 87 A CB -0.139 18.800 19.000 -0.102 0.000 0.826 87 A HN 0.450 nan 8.150 nan 0.000 0.469 88 L N -0.041 121.077 121.223 -0.175 0.000 2.966 88 L HA 0.124 4.464 4.340 -0.000 0.000 0.262 88 L C 1.452 178.244 176.870 -0.130 0.000 1.165 88 L CA 0.165 54.853 54.840 -0.253 0.000 0.978 88 L CB 0.013 41.662 42.059 -0.684 0.000 1.337 88 L HN 0.454 nan 8.230 nan 0.000 0.563 89 N N -0.841 117.788 118.700 -0.119 0.000 2.461 89 N HA -0.130 4.610 4.740 -0.000 0.000 0.188 89 N C 0.530 175.984 175.510 -0.094 0.000 1.134 89 N CA 0.404 53.395 53.050 -0.100 0.000 0.878 89 N CB -0.152 38.200 38.487 -0.224 0.000 0.972 89 N HN 0.393 nan 8.380 nan 0.000 0.456 90 H N 1.003 120.113 119.070 0.066 0.000 2.768 90 H HA 0.162 4.718 4.556 -0.000 0.000 0.219 90 H C -0.320 175.074 175.328 0.111 0.000 1.898 90 H CA -0.180 55.920 56.048 0.087 0.000 1.313 90 H CB -0.503 29.291 29.762 0.053 0.000 1.701 90 H HN 0.563 nan 8.280 nan 0.000 0.534 91 N N -0.815 117.997 118.700 0.187 0.000 2.405 91 N HA 0.120 4.860 4.740 -0.000 0.000 0.285 91 N C 1.313 176.927 175.510 0.174 0.000 1.262 91 N CA -0.905 52.252 53.050 0.178 0.000 0.773 91 N CB 1.111 39.717 38.487 0.198 0.000 1.490 91 N HN 0.050 nan 8.380 nan 0.000 0.486 92 M N -0.641 119.052 119.600 0.155 0.000 2.149 92 M HA -0.078 4.402 4.480 -0.000 0.000 0.261 92 M C 1.049 177.570 176.300 0.367 0.000 1.064 92 M CA 1.611 57.047 55.300 0.226 0.000 1.102 92 M CB -0.461 32.190 32.600 0.085 0.000 1.369 92 M HN 0.517 nan 8.290 nan 0.000 0.408 93 L N 1.220 122.569 121.223 0.211 0.000 2.362 93 L HA 0.021 4.361 4.340 -0.000 0.000 0.219 93 L C 0.857 177.722 176.870 -0.008 0.000 1.134 93 L CA 1.670 56.555 54.840 0.075 0.000 0.807 93 L CB -0.466 41.606 42.059 0.022 0.000 0.927 93 L HN 0.423 nan 8.230 nan 0.000 0.447 94 E N -0.668 119.608 120.200 0.126 0.000 2.939 94 E HA 0.261 4.611 4.350 -0.000 0.000 0.215 94 E C -0.418 176.297 176.600 0.191 0.000 1.025 94 E CA -0.035 56.466 56.400 0.168 0.000 1.259 94 E CB 0.226 30.101 29.700 0.291 0.000 1.228 94 E HN 0.414 nan 8.360 nan 0.000 0.443 95 S N -0.550 115.276 115.700 0.209 0.000 2.550 95 S HA 0.453 4.923 4.470 -0.000 0.000 0.270 95 S C -1.113 173.655 174.600 0.280 0.000 1.145 95 S CA -1.187 57.151 58.200 0.229 0.000 0.852 95 S CB 2.217 65.551 63.200 0.224 0.000 1.119 95 S HN -0.091 nan 8.310 nan 0.000 0.465 96 D N 1.425 121.947 120.400 0.204 0.000 2.384 96 D HA 0.610 5.250 4.640 -0.000 0.000 0.250 96 D C -2.597 173.794 176.300 0.151 0.000 1.029 96 D CA -1.463 52.629 54.000 0.154 0.000 0.990 96 D CB 0.858 41.721 40.800 0.105 0.000 1.175 96 D HN 0.325 nan 8.370 nan 0.000 0.532 97 P HA 0.095 nan 4.420 nan 0.000 0.270 97 P C -1.676 175.674 177.300 0.083 0.000 1.223 97 P CA -0.786 62.379 63.100 0.108 0.000 0.785 97 P CB 0.195 31.935 31.700 0.066 0.000 0.923 98 P HA 0.019 nan 4.420 nan 0.000 0.231 98 P C 1.580 178.934 177.300 0.091 0.000 1.168 98 P CA 0.638 63.783 63.100 0.076 0.000 0.779 98 P CB 0.252 31.984 31.700 0.053 0.000 0.844 99 R N 0.148 120.713 120.500 0.108 0.000 2.083 99 R HA -0.221 4.119 4.340 -0.000 0.000 0.237 99 R C 2.646 179.019 176.300 0.122 0.000 1.137 99 R CA 1.594 57.762 56.100 0.114 0.000 0.951 99 R CB -1.021 29.361 30.300 0.137 0.000 0.851 99 R HN 0.223 nan 8.270 nan 0.000 0.434 100 H N -0.025 119.093 119.070 0.080 0.000 2.319 100 H HA -0.107 4.449 4.556 -0.000 0.000 0.299 100 H C 1.418 176.773 175.328 0.044 0.000 1.092 100 H CA 2.273 58.368 56.048 0.079 0.000 1.302 100 H CB -0.202 29.604 29.762 0.073 0.000 1.373 100 H HN 0.271 nan 8.280 nan 0.000 0.497 101 T N 1.184 115.783 114.554 0.076 0.000 2.635 101 T HA -0.216 4.134 4.350 -0.000 0.000 0.267 101 T C 2.170 176.840 174.700 -0.049 0.000 1.040 101 T CA 1.916 64.025 62.100 0.014 0.000 1.156 101 T CB -0.316 68.591 68.868 0.064 0.000 0.863 101 T HN 0.403 nan 8.240 nan 0.000 0.430 102 R N 0.739 121.233 120.500 -0.009 0.000 2.081 102 R HA -0.022 4.318 4.340 -0.000 0.000 0.235 102 R C 2.448 178.735 176.300 -0.020 0.000 1.131 102 R CA 1.238 57.336 56.100 -0.004 0.000 0.960 102 R CB -0.473 29.839 30.300 0.020 0.000 0.856 102 R HN 0.373 nan 8.270 nan 0.000 0.436 103 L N 0.094 121.297 121.223 -0.033 0.000 2.017 103 L HA -0.131 4.209 4.340 -0.000 0.000 0.208 103 L C 2.923 179.758 176.870 -0.059 0.000 1.073 103 L CA 1.631 56.456 54.840 -0.026 0.000 0.745 103 L CB -0.482 41.576 42.059 -0.000 0.000 0.894 103 L HN 0.267 nan 8.230 nan 0.000 0.432 104 R N 0.676 121.077 120.500 -0.165 0.000 2.092 104 R HA -0.159 4.181 4.340 -0.000 0.000 0.231 104 R C 2.266 178.540 176.300 -0.044 0.000 1.119 104 R CA 1.261 57.277 56.100 -0.141 0.000 0.970 104 R CB 0.012 30.134 30.300 -0.297 0.000 0.864 104 R HN 0.219 nan 8.270 nan 0.000 0.440 105 K N 0.014 120.389 120.400 -0.042 0.000 2.152 105 K HA -0.141 4.179 4.320 -0.000 0.000 0.206 105 K C 1.765 178.373 176.600 0.013 0.000 1.048 105 K CA 0.908 57.192 56.287 -0.005 0.000 0.933 105 K CB -0.072 32.424 32.500 -0.005 0.000 0.721 105 K HN 0.101 nan 8.250 nan 0.000 0.447 106 L N 0.009 121.241 121.223 0.014 0.000 2.187 106 L HA -0.142 4.198 4.340 -0.000 0.000 0.213 106 L C 1.909 178.807 176.870 0.047 0.000 1.100 106 L CA 1.574 56.430 54.840 0.027 0.000 0.765 106 L CB -0.307 41.770 42.059 0.030 0.000 0.904 106 L HN 0.132 nan 8.230 nan 0.000 0.437 107 V N -6.370 113.590 119.914 0.076 0.000 3.382 107 V HA 0.451 4.571 4.120 -0.000 0.000 0.296 107 V C 2.026 178.237 176.094 0.194 0.000 1.529 107 V CA 0.326 62.708 62.300 0.136 0.000 1.048 107 V CB -0.401 31.567 31.823 0.242 0.000 0.878 107 V HN 0.068 nan 8.190 nan 0.000 0.442 108 A N 1.716 124.620 122.820 0.139 0.000 1.903 108 A HA -0.251 4.069 4.320 -0.000 0.000 0.219 108 A C 2.542 180.202 177.584 0.126 0.000 1.191 108 A CA 3.744 55.871 52.037 0.150 0.000 0.638 108 A CB -0.960 18.087 19.000 0.079 0.000 0.823 108 A HN 0.962 nan 8.150 nan 0.000 0.451 109 R N -0.228 120.305 120.500 0.055 0.000 2.159 109 R HA -0.149 4.191 4.340 -0.000 0.000 0.237 109 R C 1.738 178.005 176.300 -0.055 0.000 1.131 109 R CA 1.924 58.028 56.100 0.006 0.000 0.982 109 R CB -1.151 29.144 30.300 -0.010 0.000 0.868 109 R HN 0.730 nan 8.270 nan 0.000 0.453 110 E N -0.599 119.524 120.200 -0.129 0.000 2.274 110 E HA -0.026 4.324 4.350 -0.000 0.000 0.194 110 E C 0.712 176.956 176.600 -0.593 0.000 0.996 110 E CA 0.816 56.971 56.400 -0.408 0.000 0.840 110 E CB -0.015 29.297 29.700 -0.646 0.000 0.772 110 E HN 0.737 nan 8.360 nan 0.000 0.491 111 F N 0.964 120.912 119.950 -0.004 0.000 2.647 111 F HA 0.083 4.609 4.527 -0.000 0.000 0.300 111 F C 1.097 176.894 175.800 -0.005 0.000 1.106 111 F CA -0.419 57.577 58.000 -0.006 0.000 1.313 111 F CB 0.045 39.041 39.000 -0.006 0.000 1.007 111 F HN -0.231 nan 8.300 nan 0.000 0.536 112 T N -2.472 112.139 114.554 0.095 0.000 2.802 112 T HA -0.012 4.338 4.350 -0.000 0.000 0.305 112 T C 1.408 176.138 174.700 0.049 0.000 1.053 112 T CA -0.504 61.637 62.100 0.067 0.000 1.058 112 T CB 1.076 69.962 68.868 0.031 0.000 0.988 112 T HN 0.342 nan 8.240 nan 0.000 0.539 113 M N 0.606 120.231 119.600 0.041 0.000 2.117 113 M HA -0.056 4.424 4.480 -0.000 0.000 0.262 113 M C 2.583 178.893 176.300 0.017 0.000 1.065 113 M CA 1.518 56.837 55.300 0.032 0.000 1.114 113 M CB -0.173 32.444 32.600 0.029 0.000 1.361 113 M HN 0.647 nan 8.290 nan 0.000 0.408 114 R N -0.858 119.648 120.500 0.009 0.000 2.096 114 R HA -0.141 4.199 4.340 -0.000 0.000 0.235 114 R C 2.252 178.545 176.300 -0.011 0.000 1.127 114 R CA 1.368 57.468 56.100 -0.001 0.000 0.968 114 R CB -0.435 29.864 30.300 -0.002 0.000 0.861 114 R HN 0.236 nan 8.270 nan 0.000 0.440 115 R N 0.775 121.263 120.500 -0.020 0.000 2.075 115 R HA -0.045 4.295 4.340 -0.000 0.000 0.232 115 R C 1.989 178.260 176.300 -0.047 0.000 1.126 115 R CA 1.128 57.201 56.100 -0.046 0.000 0.963 115 R CB -0.527 29.727 30.300 -0.076 0.000 0.858 115 R HN 0.025 nan 8.270 nan 0.000 0.435 116 V N 0.588 120.487 119.914 -0.024 0.000 2.515 116 V HA -0.140 3.980 4.120 -0.000 0.000 0.250 116 V C 2.049 178.140 176.094 -0.005 0.000 1.058 116 V CA 1.845 64.139 62.300 -0.010 0.000 1.064 116 V CB -0.422 31.421 31.823 0.033 0.000 0.675 116 V HN 0.330 nan 8.190 nan 0.000 0.461 117 E N 0.546 120.745 120.200 -0.002 0.000 2.209 117 E HA -0.189 4.161 4.350 -0.000 0.000 0.196 117 E C 1.912 178.507 176.600 -0.008 0.000 0.993 117 E CA 1.254 57.653 56.400 -0.001 0.000 0.819 117 E CB -0.400 29.301 29.700 0.002 0.000 0.745 117 E HN 0.595 nan 8.360 nan 0.000 0.477 118 L N -0.166 121.047 121.223 -0.017 0.000 2.362 118 L HA -0.070 4.270 4.340 -0.000 0.000 0.219 118 L C 1.837 178.693 176.870 -0.022 0.000 1.134 118 L CA 0.458 55.285 54.840 -0.021 0.000 0.807 118 L CB -0.193 41.849 42.059 -0.029 0.000 0.927 118 L HN 0.202 nan 8.230 nan 0.000 0.447 119 L N -0.852 120.358 121.223 -0.022 0.000 2.558 119 L HA -0.010 4.330 4.340 -0.000 0.000 0.225 119 L C 2.555 179.416 176.870 -0.015 0.000 1.128 119 L CA 0.114 54.940 54.840 -0.023 0.000 0.868 119 L CB -0.379 41.665 42.059 -0.024 0.000 1.006 119 L HN 0.248 nan 8.230 nan 0.000 0.454 120 R N 1.461 121.955 120.500 -0.010 0.000 2.094 120 R HA -0.192 4.148 4.340 -0.000 0.000 0.239 120 R C -0.464 175.830 176.300 -0.009 0.000 1.137 120 R CA 1.994 58.090 56.100 -0.006 0.000 0.943 120 R CB -1.142 29.157 30.300 -0.002 0.000 0.850 120 R HN 0.178 nan 8.270 nan 0.000 0.433 121 P HA -0.177 nan 4.420 nan 0.000 0.215 121 P C 0.797 178.089 177.300 -0.015 0.000 1.157 121 P CA 1.420 64.512 63.100 -0.012 0.000 0.874 121 P CB -0.106 31.587 31.700 -0.012 0.000 0.790 122 R N -0.025 120.465 120.500 -0.017 0.000 2.075 122 R HA -0.068 4.271 4.340 -0.000 0.000 0.232 122 R C 1.937 178.223 176.300 -0.023 0.000 1.126 122 R CA 1.537 57.625 56.100 -0.021 0.000 0.963 122 R CB -1.551 28.735 30.300 -0.024 0.000 0.858 122 R HN -0.019 nan 8.270 nan 0.000 0.435 123 V N 0.911 120.812 119.914 -0.022 0.000 2.392 123 V HA -0.241 3.879 4.120 -0.000 0.000 0.249 123 V C 2.352 178.433 176.094 -0.021 0.000 1.059 123 V CA 2.119 64.405 62.300 -0.023 0.000 1.051 123 V CB -0.646 31.168 31.823 -0.016 0.000 0.658 123 V HN 0.375 nan 8.190 nan 0.000 0.455 124 Q N 0.438 120.228 119.800 -0.017 0.000 2.084 124 Q HA -0.218 4.122 4.340 -0.000 0.000 0.202 124 Q C 2.140 178.129 176.000 -0.020 0.000 0.978 124 Q CA 2.064 57.857 55.803 -0.016 0.000 0.844 124 Q CB -0.315 28.416 28.738 -0.013 0.000 0.898 124 Q HN 0.692 nan 8.270 nan 0.000 0.426 125 E N -0.347 119.841 120.200 -0.019 0.000 2.038 125 E HA -0.204 4.146 4.350 -0.000 0.000 0.195 125 E C 2.040 178.626 176.600 -0.023 0.000 1.000 125 E CA 1.531 57.920 56.400 -0.020 0.000 0.803 125 E CB -0.266 29.423 29.700 -0.018 0.000 0.750 125 E HN 0.437 nan 8.360 nan 0.000 0.448 126 I N 0.653 121.206 120.570 -0.028 0.000 2.208 126 I HA -0.283 3.886 4.170 -0.000 0.000 0.245 126 I C 2.393 178.491 176.117 -0.033 0.000 1.097 126 I CA 0.859 62.139 61.300 -0.034 0.000 1.363 126 I CB -0.249 37.723 38.000 -0.046 0.000 1.051 126 I HN -0.002 nan 8.210 nan 0.000 0.413 127 V N 0.615 120.510 119.914 -0.032 0.000 2.307 127 V HA -0.266 3.854 4.120 -0.000 0.000 0.245 127 V C 2.059 178.133 176.094 -0.034 0.000 1.045 127 V CA 1.974 64.255 62.300 -0.032 0.000 1.024 127 V CB -0.668 31.138 31.823 -0.028 0.000 0.651 127 V HN 0.393 nan 8.190 nan 0.000 0.449 128 D N 0.767 121.148 120.400 -0.031 0.000 2.144 128 D HA -0.121 4.519 4.640 -0.000 0.000 0.199 128 D C 2.179 178.460 176.300 -0.032 0.000 0.984 128 D CA 1.660 55.640 54.000 -0.033 0.000 0.834 128 D CB -0.541 40.243 40.800 -0.027 0.000 0.955 128 D HN 0.488 nan 8.370 nan 0.000 0.465 129 G N 0.675 109.460 108.800 -0.025 0.000 2.402 129 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.216 129 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.216 129 G C 1.807 176.696 174.900 -0.018 0.000 1.162 129 G CA 0.125 45.214 45.100 -0.019 0.000 0.777 129 G HN 0.236 nan 8.290 nan 0.000 0.539 130 L N 0.265 121.475 121.223 -0.021 0.000 2.056 130 L HA -0.064 4.275 4.340 -0.000 0.000 0.207 130 L C 2.955 179.807 176.870 -0.030 0.000 1.078 130 L CA 0.457 55.288 54.840 -0.015 0.000 0.749 130 L CB -0.331 41.719 42.059 -0.015 0.000 0.901 130 L HN 0.093 nan 8.230 nan 0.000 0.433 131 V N -0.605 119.277 119.914 -0.054 0.000 2.453 131 V HA -0.237 3.883 4.120 -0.000 0.000 0.247 131 V C 2.070 178.107 176.094 -0.095 0.000 1.048 131 V CA 1.508 63.750 62.300 -0.097 0.000 1.049 131 V CB -0.490 31.266 31.823 -0.111 0.000 0.672 131 V HN 0.403 nan 8.190 nan 0.000 0.457 132 D N 0.916 121.281 120.400 -0.057 0.000 2.092 132 D HA -0.174 4.466 4.640 -0.000 0.000 0.193 132 D C 2.280 178.569 176.300 -0.017 0.000 0.994 132 D CA 1.888 55.865 54.000 -0.038 0.000 0.828 132 D CB -0.387 40.401 40.800 -0.020 0.000 0.963 132 D HN 0.424 nan 8.370 nan 0.000 0.450 133 A N 0.925 123.742 122.820 -0.005 0.000 1.908 133 A HA -0.195 4.125 4.320 -0.000 0.000 0.218 133 A C 2.233 179.839 177.584 0.037 0.000 1.181 133 A CA 1.857 53.906 52.037 0.019 0.000 0.627 133 A CB -0.681 18.332 19.000 0.023 0.000 0.818 133 A HN 0.253 nan 8.150 nan 0.000 0.445 134 M N -0.483 119.124 119.600 0.011 0.000 2.117 134 M HA -0.068 4.412 4.480 -0.000 0.000 0.262 134 M C 1.531 177.887 176.300 0.092 0.000 1.065 134 M CA 1.559 56.882 55.300 0.038 0.000 1.114 134 M CB -0.240 32.326 32.600 -0.056 0.000 1.361 134 M HN 0.390 nan 8.290 nan 0.000 0.408 135 L N 0.030 121.232 121.223 -0.036 0.000 2.622 135 L HA -0.035 4.305 4.340 -0.000 0.000 0.233 135 L C 2.304 179.304 176.870 0.217 0.000 1.156 135 L CA 0.298 55.169 54.840 0.053 0.000 0.866 135 L CB -0.792 41.196 42.059 -0.118 0.000 0.980 135 L HN 0.365 nan 8.230 nan 0.000 0.448 136 A N 0.339 123.251 122.820 0.153 0.000 2.167 136 A HA 0.235 4.555 4.320 -0.000 0.000 0.214 136 A C 1.425 179.094 177.584 0.142 0.000 1.151 136 A CA 0.484 52.595 52.037 0.123 0.000 0.735 136 A CB -0.296 18.750 19.000 0.077 0.000 0.802 136 A HN 0.280 nan 8.150 nan 0.000 0.467 137 A N 0.908 123.854 122.820 0.211 0.000 2.476 137 A HA 0.466 4.786 4.320 -0.000 0.000 0.275 137 A C -0.999 176.635 177.584 0.083 0.000 1.133 137 A CA -0.928 51.194 52.037 0.142 0.000 0.797 137 A CB -0.053 19.047 19.000 0.167 0.000 1.081 137 A HN 0.217 nan 8.150 nan 0.000 0.510 138 P HA -0.178 nan 4.420 nan 0.000 0.218 138 P C 0.760 178.026 177.300 -0.057 0.000 1.146 138 P CA 1.576 64.677 63.100 0.002 0.000 0.813 138 P CB 0.161 31.861 31.700 -0.001 0.000 0.778 139 D N -1.933 118.406 120.400 -0.102 0.000 2.349 139 D HA 0.040 4.679 4.640 -0.000 0.000 0.215 139 D C 1.277 177.367 176.300 -0.350 0.000 1.016 139 D CA 0.741 54.637 54.000 -0.173 0.000 0.870 139 D CB -0.908 39.806 40.800 -0.143 0.000 0.917 139 D HN 0.170 nan 8.370 nan 0.000 0.524 140 G N 1.017 109.523 108.800 -0.490 0.000 2.249 140 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.273 140 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.273 140 G C -0.013 173.886 174.900 -1.667 0.000 1.036 140 G CA 0.202 44.533 45.100 -1.281 0.000 0.824 140 G HN 0.471 nan 8.290 nan 0.000 0.504 141 R N -0.821 119.127 120.500 -0.920 0.000 2.795 141 R HA 0.881 5.220 4.340 -0.000 0.000 0.275 141 R C -0.128 176.095 176.300 -0.129 0.000 0.981 141 R CA -0.107 55.689 56.100 -0.506 0.000 0.917 141 R CB 2.223 32.364 30.300 -0.266 0.000 1.202 141 R HN 1.048 nan 8.270 nan 0.000 0.469 142 A N 0.843 123.704 122.820 0.067 0.000 2.544 142 A HA 0.328 4.648 4.320 -0.000 0.000 0.291 142 A C -2.027 175.629 177.584 0.120 0.000 1.055 142 A CA -0.760 51.373 52.037 0.161 0.000 0.651 142 A CB 1.720 20.922 19.000 0.336 0.000 1.296 142 A HN 0.631 nan 8.150 nan 0.000 0.431 143 D N 0.621 121.072 120.400 0.085 0.000 2.373 143 D HA 0.392 5.032 4.640 -0.000 0.000 0.227 143 D C 0.762 177.104 176.300 0.070 0.000 1.091 143 D CA -0.465 53.565 54.000 0.049 0.000 0.840 143 D CB 1.203 42.012 40.800 0.014 0.000 1.060 143 D HN 0.369 nan 8.370 nan 0.000 0.502 144 L N 4.522 125.788 121.223 0.071 0.000 2.191 144 L HA -0.047 4.293 4.340 -0.000 0.000 0.212 144 L C 1.879 178.791 176.870 0.070 0.000 1.103 144 L CA 1.503 56.386 54.840 0.072 0.000 0.769 144 L CB -0.568 41.532 42.059 0.068 0.000 0.908 144 L HN 0.598 nan 8.230 nan 0.000 0.438 145 M N -0.546 119.087 119.600 0.055 0.000 2.086 145 M HA -0.215 4.264 4.480 -0.000 0.000 0.261 145 M C 2.223 178.604 176.300 0.135 0.000 1.067 145 M CA 1.964 57.313 55.300 0.081 0.000 1.116 145 M CB -0.355 32.266 32.600 0.035 0.000 1.348 145 M HN 0.400 nan 8.290 nan 0.000 0.407 146 E N -1.479 118.777 120.200 0.093 0.000 2.158 146 E HA -0.092 4.258 4.350 -0.000 0.000 0.191 146 E C 1.619 178.302 176.600 0.139 0.000 0.982 146 E CA 1.165 57.628 56.400 0.105 0.000 0.823 146 E CB 0.098 29.819 29.700 0.035 0.000 0.766 146 E HN 0.505 nan 8.360 nan 0.000 0.468 147 S N 0.109 115.874 115.700 0.108 0.000 2.425 147 S HA -0.014 4.456 4.470 -0.000 0.000 0.225 147 S C 1.451 176.098 174.600 0.079 0.000 1.024 147 S CA 0.688 58.944 58.200 0.092 0.000 0.951 147 S CB 0.219 63.465 63.200 0.078 0.000 0.796 147 S HN 0.252 nan 8.310 nan 0.000 0.498 148 L N -0.111 121.161 121.223 0.080 0.000 2.603 148 L HA 0.552 4.892 4.340 -0.000 0.000 0.189 148 L C 1.982 178.884 176.870 0.052 0.000 1.082 148 L CA 0.981 55.849 54.840 0.047 0.000 0.921 148 L CB -1.166 40.904 42.059 0.020 0.000 1.694 148 L HN 0.066 nan 8.230 nan 0.000 0.491 149 A N -0.416 122.451 122.820 0.078 0.000 1.927 149 A HA -0.316 4.004 4.320 -0.000 0.000 0.220 149 A C 2.050 179.693 177.584 0.099 0.000 1.185 149 A CA 2.594 54.682 52.037 0.085 0.000 0.639 149 A CB -1.356 17.709 19.000 0.108 0.000 0.820 149 A HN 0.740 nan 8.150 nan 0.000 0.451 150 W N 0.290 121.595 121.300 0.008 0.000 2.526 150 W HA 0.103 4.763 4.660 -0.000 0.000 0.294 150 W C -1.170 175.325 176.519 -0.040 0.000 1.181 150 W CA 1.356 58.703 57.345 0.004 0.000 1.373 150 W CB -0.817 28.670 29.460 0.045 0.000 1.112 150 W HN 0.221 nan 8.180 nan 0.000 0.545 151 P HA -0.222 nan 4.420 nan 0.000 0.215 151 P C 1.813 178.927 177.300 -0.310 0.000 1.157 151 P CA 1.824 64.788 63.100 -0.227 0.000 0.868 151 P CB -0.314 31.408 31.700 0.036 0.000 0.788 152 L N 0.078 121.184 121.223 -0.195 0.000 1.955 152 L HA -0.094 4.246 4.340 -0.000 0.000 0.213 152 L C -0.824 175.903 176.870 -0.238 0.000 1.072 152 L CA 2.873 57.612 54.840 -0.169 0.000 0.755 152 L CB -2.263 39.739 42.059 -0.095 0.000 0.888 152 L HN -0.001 nan 8.230 nan 0.000 0.432 153 P HA -0.198 nan 4.420 nan 0.000 0.214 153 P C 1.989 179.033 177.300 -0.426 0.000 1.163 153 P CA 1.575 64.484 63.100 -0.318 0.000 0.889 153 P CB -0.154 31.338 31.700 -0.347 0.000 0.790 154 I N -1.126 119.032 120.570 -0.687 0.000 2.361 154 I HA -0.184 3.986 4.170 -0.000 0.000 0.251 154 I C 1.706 177.581 176.117 -0.404 0.000 1.133 154 I CA 1.962 62.870 61.300 -0.653 0.000 1.413 154 I CB -1.140 36.279 38.000 -0.967 0.000 1.073 154 I HN -0.089 nan 8.210 nan 0.000 0.424 155 T N -0.313 114.028 114.554 -0.356 0.000 2.737 155 T HA -0.105 4.245 4.350 -0.000 0.000 0.265 155 T C 2.022 176.630 174.700 -0.152 0.000 1.038 155 T CA 1.742 63.713 62.100 -0.215 0.000 1.144 155 T CB -0.393 68.372 68.868 -0.172 0.000 0.866 155 T HN 0.178 nan 8.240 nan 0.000 0.434 156 V N 1.354 121.180 119.914 -0.147 0.000 2.237 156 V HA -0.131 3.989 4.120 -0.000 0.000 0.245 156 V C 2.382 178.431 176.094 -0.076 0.000 1.046 156 V CA 1.438 63.682 62.300 -0.093 0.000 1.007 156 V CB -0.621 31.158 31.823 -0.074 0.000 0.638 156 V HN 0.332 nan 8.190 nan 0.000 0.445 157 I N 0.098 120.613 120.570 -0.091 0.000 2.264 157 I HA -0.203 3.967 4.170 -0.000 0.000 0.248 157 I C 2.506 178.583 176.117 -0.067 0.000 1.111 157 I CA 1.558 62.826 61.300 -0.053 0.000 1.382 157 I CB -0.355 37.607 38.000 -0.063 0.000 1.060 157 I HN 0.206 nan 8.210 nan 0.000 0.418 158 S N -0.055 115.575 115.700 -0.117 0.000 2.399 158 S HA -0.178 4.292 4.470 -0.000 0.000 0.231 158 S C 1.859 176.429 174.600 -0.049 0.000 1.022 158 S CA 1.359 59.498 58.200 -0.102 0.000 0.983 158 S CB -0.291 62.833 63.200 -0.126 0.000 0.803 158 S HN 0.557 nan 8.310 nan 0.000 0.480 159 E N 0.626 120.796 120.200 -0.050 0.000 2.112 159 E HA 0.031 4.380 4.350 -0.000 0.000 0.190 159 E C 1.966 178.551 176.600 -0.025 0.000 0.979 159 E CA 0.534 56.915 56.400 -0.032 0.000 0.814 159 E CB -0.135 29.542 29.700 -0.038 0.000 0.762 159 E HN 0.400 nan 8.360 nan 0.000 0.460 160 L N 0.572 121.779 121.223 -0.027 0.000 2.056 160 L HA -0.160 4.180 4.340 -0.000 0.000 0.207 160 L C 2.277 179.140 176.870 -0.011 0.000 1.078 160 L CA 0.949 55.773 54.840 -0.027 0.000 0.749 160 L CB -0.146 41.901 42.059 -0.020 0.000 0.901 160 L HN 0.170 nan 8.230 nan 0.000 0.433 161 L N -1.116 120.111 121.223 0.007 0.000 2.307 161 L HA 0.155 4.495 4.340 -0.000 0.000 0.211 161 L C 1.196 178.083 176.870 0.028 0.000 1.099 161 L CA 0.656 55.512 54.840 0.026 0.000 0.816 161 L CB -0.201 41.884 42.059 0.042 0.000 0.952 161 L HN 0.470 nan 8.230 nan 0.000 0.455 162 G N 0.696 109.508 108.800 0.021 0.000 2.215 162 G HA2 -0.185 3.774 3.960 -0.000 0.000 0.198 162 G HA3 -0.185 3.774 3.960 -0.000 0.000 0.198 162 G C -0.214 174.724 174.900 0.064 0.000 1.047 162 G CA -0.364 44.756 45.100 0.033 0.000 0.747 162 G HN 0.023 nan 8.290 nan 0.000 0.495 163 V N 1.431 121.383 119.914 0.064 0.000 2.385 163 V HA 0.361 4.481 4.120 -0.000 0.000 0.269 163 V C -1.297 174.863 176.094 0.111 0.000 1.043 163 V CA -1.495 60.882 62.300 0.128 0.000 0.906 163 V CB 1.304 33.175 31.823 0.081 0.000 0.995 163 V HN 0.204 nan 8.190 nan 0.000 0.467 164 P HA -0.037 nan 4.420 nan 0.000 0.264 164 P C 1.004 178.361 177.300 0.095 0.000 1.179 164 P CA 0.213 63.383 63.100 0.115 0.000 0.763 164 P CB 0.643 32.430 31.700 0.145 0.000 0.806 165 E N 4.701 124.937 120.200 0.061 0.000 2.070 165 E HA -0.199 4.150 4.350 -0.000 0.000 0.197 165 E C -0.855 175.780 176.600 0.059 0.000 1.004 165 E CA 2.267 58.695 56.400 0.047 0.000 0.805 165 E CB -1.730 27.990 29.700 0.033 0.000 0.744 165 E HN 0.385 nan 8.360 nan 0.000 0.451 166 P HA -0.040 nan 4.420 nan 0.000 0.230 166 P C 0.173 177.498 177.300 0.042 0.000 1.158 166 P CA 1.027 64.157 63.100 0.050 0.000 0.769 166 P CB 0.022 31.752 31.700 0.051 0.000 0.807 167 D N -1.584 118.857 120.400 0.069 0.000 2.367 167 D HA 0.070 4.710 4.640 -0.000 0.000 0.207 167 D C 1.759 178.103 176.300 0.073 0.000 1.034 167 D CA 0.280 54.293 54.000 0.023 0.000 0.861 167 D CB -0.220 40.654 40.800 0.123 0.000 0.943 167 D HN 0.143 nan 8.370 nan 0.000 0.515 168 R N 0.903 121.478 120.500 0.124 0.000 2.148 168 R HA 0.051 4.391 4.340 -0.000 0.000 0.227 168 R C 2.076 178.559 176.300 0.305 0.000 1.103 168 R CA 1.048 57.264 56.100 0.193 0.000 0.983 168 R CB -0.136 30.212 30.300 0.079 0.000 0.874 168 R HN 0.070 nan 8.270 nan 0.000 0.451 169 A N 1.588 124.511 122.820 0.171 0.000 1.898 169 A HA -0.086 4.234 4.320 -0.000 0.000 0.216 169 A C 2.427 179.942 177.584 -0.116 0.000 1.181 169 A CA 1.495 53.591 52.037 0.099 0.000 0.620 169 A CB -0.661 18.328 19.000 -0.019 0.000 0.819 169 A HN 0.359 nan 8.150 nan 0.000 0.442 170 A N -1.109 121.501 122.820 -0.349 0.000 1.997 170 A HA -0.126 4.194 4.320 -0.000 0.000 0.221 170 A C 1.894 178.787 177.584 -1.151 0.000 1.172 170 A CA 1.721 53.185 52.037 -0.953 0.000 0.645 170 A CB -0.820 17.346 19.000 -1.391 0.000 0.813 170 A HN 0.498 nan 8.150 nan 0.000 0.454 171 F N -0.777 118.890 119.950 -0.470 0.000 2.259 171 F HA -0.029 4.498 4.527 -0.000 0.000 0.298 171 F C 2.396 178.184 175.800 -0.020 0.000 1.088 171 F CA 1.496 59.450 58.000 -0.076 0.000 1.358 171 F CB -0.247 38.878 39.000 0.209 0.000 1.040 171 F HN 0.164 nan 8.300 nan 0.000 0.505 172 R N 0.290 120.931 120.500 0.234 0.000 2.096 172 R HA -0.119 4.221 4.340 -0.000 0.000 0.235 172 R C 2.029 178.220 176.300 -0.181 0.000 1.127 172 R CA 1.297 57.444 56.100 0.079 0.000 0.968 172 R CB -0.354 29.741 30.300 -0.343 0.000 0.861 172 R HN 0.161 nan 8.270 nan 0.000 0.440 173 V N -0.216 119.518 119.914 -0.300 0.000 2.270 173 V HA -0.246 3.874 4.120 -0.000 0.000 0.245 173 V C 2.126 178.046 176.094 -0.290 0.000 1.043 173 V CA 1.582 63.681 62.300 -0.334 0.000 1.014 173 V CB -0.646 30.916 31.823 -0.435 0.000 0.645 173 V HN 0.444 nan 8.190 nan 0.000 0.447 174 W N 0.508 121.564 121.300 -0.407 0.000 2.358 174 W HA -0.123 4.537 4.660 0.000 0.000 0.303 174 W C 2.677 178.498 176.519 -1.163 0.000 1.208 174 W CA 1.663 58.578 57.345 -0.718 0.000 1.274 174 W CB -1.854 27.232 29.460 -0.625 0.000 1.138 174 W HN 0.247 nan 8.180 nan 0.000 0.515 175 T N 0.393 114.687 114.554 -0.432 0.000 2.788 175 T HA -0.169 4.181 4.350 -0.000 0.000 0.268 175 T C 1.228 175.769 174.700 -0.265 0.000 1.044 175 T CA 1.868 63.777 62.100 -0.319 0.000 1.139 175 T CB -0.329 68.404 68.868 -0.225 0.000 0.867 175 T HN -0.015 nan 8.240 nan 0.000 0.454 176 D N 1.347 121.591 120.400 -0.259 0.000 2.117 176 D HA 0.006 4.646 4.640 -0.000 0.000 0.197 176 D C 2.241 178.420 176.300 -0.201 0.000 0.987 176 D CA 1.105 54.967 54.000 -0.231 0.000 0.829 176 D CB -0.395 40.276 40.800 -0.215 0.000 0.961 176 D HN 0.409 nan 8.370 nan 0.000 0.460 177 A N -0.353 122.326 122.820 -0.234 0.000 2.172 177 A HA -0.055 4.265 4.320 -0.000 0.000 0.216 177 A C 1.918 179.527 177.584 0.041 0.000 1.154 177 A CA 0.555 52.516 52.037 -0.126 0.000 0.701 177 A CB -0.796 18.128 19.000 -0.127 0.000 0.789 177 A HN 0.226 nan 8.150 nan 0.000 0.465 178 F N -1.425 118.520 119.950 -0.009 0.000 2.317 178 F HA -0.046 4.481 4.527 -0.000 0.000 0.293 178 F C 2.191 177.976 175.800 -0.024 0.000 1.085 178 F CA 0.414 58.411 58.000 -0.005 0.000 1.390 178 F CB 0.089 39.099 39.000 0.017 0.000 1.077 178 F HN 0.036 nan 8.300 nan 0.000 0.517 179 V N 0.262 120.241 119.914 0.108 0.000 2.284 179 V HA -0.128 3.992 4.120 -0.000 0.000 0.236 179 V C 1.104 177.165 176.094 -0.054 0.000 1.044 179 V CA 1.748 64.046 62.300 -0.004 0.000 1.019 179 V CB -0.884 30.860 31.823 -0.133 0.000 0.657 179 V HN 0.188 nan 8.190 nan 0.000 0.465 180 F N 2.987 122.837 119.950 -0.167 0.000 2.550 180 F HA 0.635 5.162 4.527 -0.000 0.000 0.312 180 F C -2.191 173.578 175.800 -0.052 0.000 1.256 180 F CA -2.397 55.539 58.000 -0.107 0.000 1.182 180 F CB -0.993 37.888 39.000 -0.200 0.000 1.383 180 F HN 0.207 nan 8.300 nan 0.000 0.541 181 P HA 0.164 nan 4.420 nan 0.000 0.271 181 P C -0.119 177.191 177.300 0.017 0.000 1.216 181 P CA 0.033 63.139 63.100 0.009 0.000 0.771 181 P CB 1.610 33.337 31.700 0.045 0.000 0.864 182 D N 1.539 121.944 120.400 0.009 0.000 2.087 182 D HA -0.143 4.497 4.640 -0.000 0.000 0.192 182 D C 0.421 176.734 176.300 0.022 0.000 0.993 182 D CA 1.919 55.927 54.000 0.015 0.000 0.828 182 D CB -0.199 40.605 40.800 0.007 0.000 0.968 182 D HN 0.647 nan 8.370 nan 0.000 0.448 183 D N -2.765 117.649 120.400 0.022 0.000 2.581 183 D HA 0.277 4.917 4.640 -0.000 0.000 0.232 183 D C -2.367 173.952 176.300 0.032 0.000 1.143 183 D CA -1.740 52.275 54.000 0.026 0.000 0.881 183 D CB 1.550 42.362 40.800 0.019 0.000 1.500 183 D HN -0.291 nan 8.370 nan 0.000 0.458 184 P HA -0.211 nan 4.420 nan 0.000 0.217 184 P C 1.240 178.560 177.300 0.033 0.000 1.151 184 P CA 2.356 65.479 63.100 0.038 0.000 0.849 184 P CB 0.030 31.749 31.700 0.033 0.000 0.787 185 A N -0.588 122.246 122.820 0.024 0.000 1.933 185 A HA -0.269 4.051 4.320 -0.000 0.000 0.218 185 A C 2.289 179.888 177.584 0.024 0.000 1.175 185 A CA 1.491 53.539 52.037 0.018 0.000 0.628 185 A CB -1.215 17.793 19.000 0.012 0.000 0.814 185 A HN 0.184 nan 8.150 nan 0.000 0.444 186 Q N -0.716 119.101 119.800 0.028 0.000 2.077 186 Q HA -0.228 4.112 4.340 -0.000 0.000 0.206 186 Q C 2.513 178.546 176.000 0.054 0.000 0.989 186 Q CA 1.663 57.485 55.803 0.031 0.000 0.853 186 Q CB -0.422 28.329 28.738 0.021 0.000 0.907 186 Q HN 0.693 nan 8.270 nan 0.000 0.418 187 A N 1.005 123.873 122.820 0.081 0.000 1.883 187 A HA -0.243 4.077 4.320 -0.000 0.000 0.217 187 A C 2.035 179.705 177.584 0.144 0.000 1.186 187 A CA 1.455 53.591 52.037 0.165 0.000 0.624 187 A CB -0.507 18.589 19.000 0.161 0.000 0.822 187 A HN 0.306 nan 8.150 nan 0.000 0.444 188 Q N -0.644 119.192 119.800 0.060 0.000 2.124 188 Q HA -0.121 4.219 4.340 -0.000 0.000 0.202 188 Q C 2.173 178.172 176.000 -0.002 0.000 0.977 188 Q CA 1.975 57.785 55.803 0.011 0.000 0.850 188 Q CB -0.995 27.737 28.738 -0.009 0.000 0.901 188 Q HN 0.683 nan 8.270 nan 0.000 0.429 189 T N 1.232 115.792 114.554 0.010 0.000 2.812 189 T HA -0.033 4.317 4.350 -0.000 0.000 0.264 189 T C 1.883 176.564 174.700 -0.032 0.000 1.042 189 T CA 1.221 63.318 62.100 -0.007 0.000 1.140 189 T CB -0.182 68.693 68.868 0.012 0.000 0.870 189 T HN 0.401 nan 8.240 nan 0.000 0.445 190 A N 1.469 124.290 122.820 0.002 0.000 1.908 190 A HA -0.089 4.231 4.320 -0.000 0.000 0.218 190 A C 2.339 179.775 177.584 -0.247 0.000 1.181 190 A CA 1.574 53.557 52.037 -0.090 0.000 0.627 190 A CB -0.703 18.283 19.000 -0.022 0.000 0.818 190 A HN 0.438 nan 8.150 nan 0.000 0.445 191 M N -0.683 118.938 119.600 0.034 0.000 2.080 191 M HA -0.185 4.295 4.480 -0.000 0.000 0.260 191 M C 2.574 178.745 176.300 -0.214 0.000 1.068 191 M CA 1.566 56.834 55.300 -0.054 0.000 1.109 191 M CB -0.450 32.094 32.600 -0.094 0.000 1.342 191 M HN 0.496 nan 8.290 nan 0.000 0.405 192 A N 0.296 123.016 122.820 -0.168 0.000 1.940 192 A HA -0.200 4.120 4.320 -0.000 0.000 0.219 192 A C 1.887 179.349 177.584 -0.204 0.000 1.176 192 A CA 1.880 53.825 52.037 -0.154 0.000 0.631 192 A CB -0.702 18.241 19.000 -0.095 0.000 0.814 192 A HN 0.585 nan 8.150 nan 0.000 0.446 193 E N -0.963 119.064 120.200 -0.289 0.000 2.028 193 E HA -0.182 4.168 4.350 -0.000 0.000 0.191 193 E C 2.118 178.337 176.600 -0.636 0.000 0.988 193 E CA 1.260 57.471 56.400 -0.315 0.000 0.799 193 E CB -0.337 29.261 29.700 -0.170 0.000 0.755 193 E HN 0.721 nan 8.360 nan 0.000 0.447 194 M N 1.106 119.912 119.600 -1.323 0.000 2.080 194 M HA -0.223 4.256 4.480 -0.000 0.000 0.260 194 M C 2.505 178.564 176.300 -0.402 0.000 1.068 194 M CA 1.731 56.208 55.300 -1.371 0.000 1.109 194 M CB -0.114 31.854 32.600 -1.054 0.000 1.342 194 M HN 0.065 nan 8.290 nan 0.000 0.405 195 S N -0.086 115.437 115.700 -0.295 0.000 2.359 195 S HA -0.127 4.343 4.470 -0.000 0.000 0.224 195 S C 1.925 176.474 174.600 -0.084 0.000 1.035 195 S CA 1.813 59.926 58.200 -0.145 0.000 1.018 195 S CB -0.944 62.163 63.200 -0.155 0.000 0.876 195 S HN 0.725 nan 8.310 nan 0.000 0.448 196 G N -0.624 108.123 108.800 -0.088 0.000 2.402 196 G HA2 -0.184 3.775 3.960 -0.000 0.000 0.216 196 G HA3 -0.184 3.775 3.960 -0.000 0.000 0.216 196 G C 1.323 176.238 174.900 0.026 0.000 1.162 196 G CA 0.951 46.036 45.100 -0.025 0.000 0.777 196 G HN 0.653 nan 8.290 nan 0.000 0.539 197 Y N 1.157 121.441 120.300 -0.028 0.000 2.163 197 Y HA 0.013 4.563 4.550 -0.000 0.000 0.288 197 Y C 2.523 178.496 175.900 0.121 0.000 1.136 197 Y CA 1.227 59.382 58.100 0.093 0.000 1.147 197 Y CB -0.272 38.323 38.460 0.225 0.000 0.987 197 Y HN 0.094 nan 8.280 nan 0.000 0.509 198 L N -0.842 120.373 121.223 -0.012 0.000 2.046 198 L HA -0.249 4.091 4.340 -0.000 0.000 0.208 198 L C 2.539 179.350 176.870 -0.099 0.000 1.077 198 L CA 1.579 56.399 54.840 -0.033 0.000 0.747 198 L CB -0.769 41.379 42.059 0.149 0.000 0.896 198 L HN 0.172 nan 8.230 nan 0.000 0.432 199 S N -0.471 115.188 115.700 -0.068 0.000 2.368 199 S HA -0.173 4.297 4.470 -0.000 0.000 0.225 199 S C 2.055 176.605 174.600 -0.083 0.000 1.030 199 S CA 1.223 59.390 58.200 -0.056 0.000 0.999 199 S CB -0.188 62.989 63.200 -0.039 0.000 0.844 199 S HN 0.359 nan 8.310 nan 0.000 0.459 200 R N 0.215 120.641 120.500 -0.123 0.000 2.075 200 R HA 0.003 4.343 4.340 -0.000 0.000 0.232 200 R C 2.317 178.520 176.300 -0.162 0.000 1.126 200 R CA 0.977 57.007 56.100 -0.118 0.000 0.963 200 R CB -0.493 29.752 30.300 -0.091 0.000 0.858 200 R HN 0.270 nan 8.270 nan 0.000 0.435 201 L N 1.243 122.279 121.223 -0.312 0.000 2.017 201 L HA -0.134 4.206 4.340 -0.000 0.000 0.208 201 L C 1.942 178.753 176.870 -0.099 0.000 1.073 201 L CA 1.638 56.329 54.840 -0.248 0.000 0.745 201 L CB -0.369 41.473 42.059 -0.362 0.000 0.894 201 L HN 0.118 nan 8.230 nan 0.000 0.432 202 I N -0.270 120.253 120.570 -0.079 0.000 2.163 202 I HA -0.324 3.846 4.170 -0.000 0.000 0.243 202 I C 2.203 178.306 176.117 -0.024 0.000 1.085 202 I CA 1.883 63.166 61.300 -0.029 0.000 1.347 202 I CB -0.425 37.566 38.000 -0.014 0.000 1.044 202 I HN 0.352 nan 8.210 nan 0.000 0.408 203 D N 0.242 120.623 120.400 -0.033 0.000 2.178 203 D HA -0.168 4.472 4.640 -0.000 0.000 0.201 203 D C 2.250 178.541 176.300 -0.015 0.000 0.980 203 D CA 1.412 55.400 54.000 -0.021 0.000 0.842 203 D CB 0.039 40.827 40.800 -0.022 0.000 0.948 203 D HN 0.325 nan 8.370 nan 0.000 0.472 204 S N -0.839 114.848 115.700 -0.020 0.000 2.474 204 S HA -0.083 4.387 4.470 -0.000 0.000 0.235 204 S C 1.689 176.290 174.600 0.001 0.000 0.997 204 S CA 0.427 58.622 58.200 -0.007 0.000 0.949 204 S CB -0.161 63.036 63.200 -0.005 0.000 0.766 204 S HN 0.082 nan 8.310 nan 0.000 0.517 205 K N 1.224 121.624 120.400 -0.001 0.000 2.305 205 K HA 0.177 4.497 4.320 -0.000 0.000 0.199 205 K C 0.615 177.218 176.600 0.004 0.000 1.047 205 K CA 0.140 56.430 56.287 0.005 0.000 0.976 205 K CB -0.222 32.282 32.500 0.007 0.000 0.765 205 K HN 0.474 nan 8.250 nan 0.000 0.474 206 R N 0.666 121.167 120.500 0.001 0.000 2.502 206 R HA 0.023 4.363 4.340 -0.000 0.000 0.292 206 R C 0.939 177.241 176.300 0.002 0.000 0.998 206 R CA 0.918 57.019 56.100 0.001 0.000 1.056 206 R CB -0.173 30.127 30.300 -0.001 0.000 0.939 206 R HN 0.445 nan 8.270 nan 0.000 0.411 207 G N 2.228 111.030 108.800 0.003 0.000 2.184 207 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.264 207 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.264 207 G C 0.723 175.625 174.900 0.004 0.000 0.975 207 G CA 0.028 45.130 45.100 0.003 0.000 0.642 207 G HN 0.569 nan 8.290 nan 0.000 0.536 208 Q N 0.361 120.164 119.800 0.005 0.000 2.360 208 Q HA 0.153 4.493 4.340 -0.000 0.000 0.202 208 Q C 0.806 176.809 176.000 0.005 0.000 0.915 208 Q CA 0.723 56.530 55.803 0.006 0.000 0.943 208 Q CB 0.172 28.914 28.738 0.008 0.000 1.064 208 Q HN 0.631 nan 8.270 nan 0.000 0.511 209 D N 0.368 120.770 120.400 0.003 0.000 2.811 209 D HA -0.154 4.486 4.640 -0.000 0.000 0.231 209 D C 0.461 176.762 176.300 0.002 0.000 1.157 209 D CA 1.351 55.352 54.000 0.002 0.000 0.716 209 D CB -1.541 39.260 40.800 0.001 0.000 1.077 209 D HN 0.370 nan 8.370 nan 0.000 0.428 210 G N -0.198 108.604 108.800 0.003 0.000 2.594 210 G HA2 0.289 4.249 3.960 -0.000 0.000 0.243 210 G HA3 0.289 4.249 3.960 -0.000 0.000 0.243 210 G C 0.756 175.655 174.900 -0.001 0.000 1.229 210 G CA -0.388 44.714 45.100 0.003 0.000 0.843 210 G HN 0.226 nan 8.290 nan 0.000 0.578 211 E N -0.514 119.684 120.200 -0.004 0.000 2.538 211 E HA 0.075 4.425 4.350 -0.000 0.000 0.207 211 E C -0.266 176.325 176.600 -0.014 0.000 1.002 211 E CA -0.172 56.223 56.400 -0.010 0.000 0.952 211 E CB 0.414 30.107 29.700 -0.012 0.000 1.031 211 E HN 0.787 nan 8.360 nan 0.000 0.476 212 D N -0.052 120.343 120.400 -0.009 0.000 2.358 212 D HA -0.018 4.622 4.640 -0.000 0.000 0.244 212 D C 1.090 177.384 176.300 -0.010 0.000 1.163 212 D CA -0.607 53.386 54.000 -0.011 0.000 0.945 212 D CB 1.062 41.862 40.800 -0.000 0.000 1.152 212 D HN -0.173 nan 8.370 nan 0.000 0.451 213 L N 1.057 122.271 121.223 -0.015 0.000 2.013 213 L HA -0.113 4.227 4.340 -0.000 0.000 0.212 213 L C 1.844 178.723 176.870 0.016 0.000 1.073 213 L CA 1.556 56.391 54.840 -0.008 0.000 0.753 213 L CB -1.031 41.021 42.059 -0.011 0.000 0.890 213 L HN 0.688 nan 8.230 nan 0.000 0.432 214 L N -1.075 120.164 121.223 0.028 0.000 2.042 214 L HA -0.195 4.145 4.340 -0.000 0.000 0.210 214 L C 2.558 179.443 176.870 0.024 0.000 1.076 214 L CA 2.011 56.873 54.840 0.036 0.000 0.749 214 L CB -0.858 41.227 42.059 0.045 0.000 0.893 214 L HN 0.293 nan 8.230 nan 0.000 0.432 215 S N -0.529 115.181 115.700 0.016 0.000 2.383 215 S HA -0.196 4.274 4.470 -0.000 0.000 0.229 215 S C 2.064 176.669 174.600 0.008 0.000 1.030 215 S CA 1.131 59.338 58.200 0.011 0.000 1.002 215 S CB -0.535 62.669 63.200 0.007 0.000 0.829 215 S HN 0.662 nan 8.310 nan 0.000 0.467 216 A N 1.350 124.173 122.820 0.006 0.000 1.873 216 A HA 0.032 4.352 4.320 -0.000 0.000 0.215 216 A C 2.110 179.700 177.584 0.010 0.000 1.186 216 A CA 1.054 53.093 52.037 0.003 0.000 0.616 216 A CB -0.706 18.292 19.000 -0.004 0.000 0.823 216 A HN 0.445 nan 8.150 nan 0.000 0.442 217 L N -0.436 120.797 121.223 0.018 0.000 2.042 217 L HA -0.178 4.162 4.340 -0.000 0.000 0.210 217 L C 2.539 179.421 176.870 0.020 0.000 1.076 217 L CA 1.169 56.023 54.840 0.025 0.000 0.749 217 L CB -0.629 41.453 42.059 0.039 0.000 0.893 217 L HN 0.247 nan 8.230 nan 0.000 0.432 218 V N -0.282 119.643 119.914 0.018 0.000 2.343 218 V HA -0.306 3.814 4.120 -0.000 0.000 0.247 218 V C 2.644 178.744 176.094 0.009 0.000 1.051 218 V CA 1.805 64.112 62.300 0.013 0.000 1.036 218 V CB -0.584 31.245 31.823 0.010 0.000 0.654 218 V HN 0.375 nan 8.190 nan 0.000 0.451 219 R N -0.351 120.154 120.500 0.008 0.000 2.081 219 R HA -0.135 4.205 4.340 -0.000 0.000 0.235 219 R C 2.469 178.772 176.300 0.006 0.000 1.131 219 R CA 2.006 58.109 56.100 0.005 0.000 0.960 219 R CB -0.624 29.678 30.300 0.003 0.000 0.856 219 R HN 0.530 nan 8.270 nan 0.000 0.436 220 T N -0.676 113.882 114.554 0.008 0.000 2.684 220 T HA -0.187 4.163 4.350 -0.000 0.000 0.267 220 T C 1.834 176.539 174.700 0.008 0.000 1.036 220 T CA 1.771 63.876 62.100 0.009 0.000 1.148 220 T CB -0.385 68.490 68.868 0.012 0.000 0.863 220 T HN 0.252 nan 8.240 nan 0.000 0.436 221 S N 0.680 116.386 115.700 0.010 0.000 2.356 221 S HA -0.161 4.309 4.470 -0.000 0.000 0.223 221 S C 1.752 176.354 174.600 0.003 0.000 1.032 221 S CA 1.468 59.672 58.200 0.007 0.000 1.005 221 S CB -0.569 62.636 63.200 0.009 0.000 0.867 221 S HN 0.381 nan 8.310 nan 0.000 0.449 222 D N 1.034 121.436 120.400 0.003 0.000 2.144 222 D HA -0.055 4.585 4.640 -0.000 0.000 0.199 222 D C 2.027 178.328 176.300 0.001 0.000 0.984 222 D CA 1.042 55.042 54.000 0.001 0.000 0.834 222 D CB -0.382 40.419 40.800 0.001 0.000 0.955 222 D HN 0.604 nan 8.370 nan 0.000 0.465 223 E N -0.315 119.886 120.200 0.002 0.000 2.106 223 E HA -0.083 4.267 4.350 -0.000 0.000 0.192 223 E C 0.113 176.715 176.600 0.002 0.000 0.984 223 E CA 0.752 57.154 56.400 0.002 0.000 0.806 223 E CB 0.337 30.039 29.700 0.002 0.000 0.750 223 E HN 0.042 nan 8.360 nan 0.000 0.458 224 D N -1.480 118.921 120.400 0.003 0.000 2.318 224 D HA 0.088 4.728 4.640 -0.000 0.000 0.233 224 D C 0.405 176.707 176.300 0.003 0.000 1.348 224 D CA -0.140 53.861 54.000 0.003 0.000 0.983 224 D CB 0.864 41.667 40.800 0.004 0.000 1.416 224 D HN 0.053 nan 8.370 nan 0.000 0.558 225 G N 1.407 110.207 108.800 -0.000 0.000 2.586 225 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.215 225 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.215 225 G C 1.270 176.169 174.900 -0.001 0.000 1.128 225 G CA 1.034 46.133 45.100 -0.003 0.000 0.774 225 G HN 0.437 nan 8.290 nan 0.000 0.543 226 S N -0.204 115.498 115.700 0.002 0.000 2.446 226 S HA 0.054 4.524 4.470 -0.000 0.000 0.225 226 S C 2.328 176.934 174.600 0.011 0.000 1.016 226 S CA 0.462 58.666 58.200 0.006 0.000 0.943 226 S CB -0.100 63.103 63.200 0.006 0.000 0.786 226 S HN 0.464 nan 8.310 nan 0.000 0.508 227 R N -0.524 119.983 120.500 0.011 0.000 2.173 227 R HA 0.318 4.658 4.340 -0.000 0.000 0.208 227 R C -0.607 175.704 176.300 0.018 0.000 1.035 227 R CA 0.383 56.492 56.100 0.014 0.000 1.004 227 R CB 0.114 30.421 30.300 0.012 0.000 0.917 227 R HN 0.335 nan 8.270 nan 0.000 0.462 228 L N 1.227 122.459 121.223 0.015 0.000 2.680 228 L HA 0.142 4.482 4.340 -0.000 0.000 0.260 228 L C -0.347 176.528 176.870 0.009 0.000 0.975 228 L CA -0.343 54.508 54.840 0.019 0.000 0.920 228 L CB 1.461 43.533 42.059 0.022 0.000 1.234 228 L HN 0.055 nan 8.230 nan 0.000 0.429 229 T N -0.073 114.481 114.554 0.001 0.000 2.813 229 T HA 0.280 4.630 4.350 -0.000 0.000 0.297 229 T C 1.362 176.050 174.700 -0.021 0.000 1.036 229 T CA 0.155 62.242 62.100 -0.021 0.000 1.044 229 T CB 0.959 69.797 68.868 -0.050 0.000 0.993 229 T HN 0.753 nan 8.240 nan 0.000 0.535 230 S N 0.389 116.070 115.700 -0.032 0.000 2.399 230 S HA -0.148 4.322 4.470 -0.000 0.000 0.231 230 S C 1.681 176.261 174.600 -0.033 0.000 1.022 230 S CA 1.059 59.244 58.200 -0.026 0.000 0.983 230 S CB -0.700 62.483 63.200 -0.029 0.000 0.803 230 S HN 0.839 nan 8.310 nan 0.000 0.480 231 E N 1.444 121.598 120.200 -0.076 0.000 2.072 231 E HA -0.128 4.222 4.350 -0.000 0.000 0.191 231 E C 2.194 178.790 176.600 -0.006 0.000 0.985 231 E CA 1.384 57.725 56.400 -0.098 0.000 0.801 231 E CB -0.158 29.348 29.700 -0.323 0.000 0.750 231 E HN 0.708 nan 8.360 nan 0.000 0.452 232 E N 0.445 120.648 120.200 0.004 0.000 2.152 232 E HA -0.157 4.192 4.350 -0.000 0.000 0.192 232 E C 2.016 178.662 176.600 0.076 0.000 0.983 232 E CA 0.319 56.766 56.400 0.079 0.000 0.818 232 E CB 0.030 29.771 29.700 0.069 0.000 0.758 232 E HN 0.085 nan 8.360 nan 0.000 0.467 233 L N 1.043 122.295 121.223 0.047 0.000 2.017 233 L HA -0.151 4.189 4.340 -0.000 0.000 0.208 233 L C 2.149 179.061 176.870 0.071 0.000 1.073 233 L CA 1.415 56.285 54.840 0.051 0.000 0.745 233 L CB -0.530 41.546 42.059 0.029 0.000 0.894 233 L HN 0.151 nan 8.230 nan 0.000 0.432 234 L N -0.184 121.076 121.223 0.061 0.000 2.046 234 L HA 0.008 4.348 4.340 -0.000 0.000 0.208 234 L C 2.317 179.266 176.870 0.132 0.000 1.077 234 L CA 2.117 57.002 54.840 0.075 0.000 0.747 234 L CB -1.443 40.637 42.059 0.035 0.000 0.896 234 L HN 0.303 nan 8.230 nan 0.000 0.432 235 G N -0.698 108.187 108.800 0.142 0.000 2.418 235 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.217 235 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.217 235 G C 1.563 176.608 174.900 0.242 0.000 1.158 235 G CA 1.059 46.292 45.100 0.222 0.000 0.771 235 G HN 0.435 nan 8.290 nan 0.000 0.545 236 M N 1.543 121.239 119.600 0.160 0.000 2.132 236 M HA 0.223 4.703 4.480 -0.000 0.000 0.263 236 M C 2.651 179.025 176.300 0.124 0.000 1.065 236 M CA 1.708 57.082 55.300 0.124 0.000 1.122 236 M CB -0.423 32.236 32.600 0.099 0.000 1.365 236 M HN 0.201 nan 8.290 nan 0.000 0.411 237 A N -0.561 122.346 122.820 0.144 0.000 1.933 237 A HA -0.233 4.087 4.320 -0.000 0.000 0.218 237 A C 2.300 180.003 177.584 0.198 0.000 1.175 237 A CA 2.020 54.151 52.037 0.156 0.000 0.628 237 A CB -1.434 17.660 19.000 0.157 0.000 0.814 237 A HN 0.826 nan 8.150 nan 0.000 0.444 238 H N -0.840 118.315 119.070 0.142 0.000 2.326 238 H HA -0.090 4.466 4.556 -0.000 0.000 0.301 238 H C 2.017 177.431 175.328 0.144 0.000 1.081 238 H CA 1.796 57.944 56.048 0.167 0.000 1.334 238 H CB -0.353 29.478 29.762 0.115 0.000 1.385 238 H HN 0.329 nan 8.280 nan 0.000 0.504 239 I N 1.422 121.744 120.570 -0.412 0.000 2.226 239 I HA -0.224 3.946 4.170 -0.000 0.000 0.245 239 I C 2.554 178.574 176.117 -0.161 0.000 1.100 239 I CA 0.934 61.990 61.300 -0.407 0.000 1.374 239 I CB -0.528 37.383 38.000 -0.148 0.000 1.057 239 I HN 0.273 nan 8.210 nan 0.000 0.413 240 L N -0.814 120.379 121.223 -0.051 0.000 2.141 240 L HA -0.190 4.150 4.340 -0.000 0.000 0.209 240 L C 2.367 179.246 176.870 0.014 0.000 1.094 240 L CA 1.073 55.906 54.840 -0.011 0.000 0.763 240 L CB -0.516 41.586 42.059 0.071 0.000 0.908 240 L HN 0.280 nan 8.230 nan 0.000 0.437 241 L N -1.502 119.746 121.223 0.042 0.000 2.162 241 L HA -0.079 4.261 4.340 -0.000 0.000 0.205 241 L C 2.249 179.206 176.870 0.145 0.000 1.086 241 L CA 0.440 55.323 54.840 0.072 0.000 0.778 241 L CB -0.095 42.026 42.059 0.102 0.000 0.928 241 L HN 0.016 nan 8.230 nan 0.000 0.446 242 V N -0.584 119.403 119.914 0.122 0.000 2.725 242 V HA 0.016 4.136 4.120 -0.000 0.000 0.247 242 V C 2.529 178.686 176.094 0.105 0.000 1.058 242 V CA 1.217 63.619 62.300 0.171 0.000 1.080 242 V CB -0.236 31.684 31.823 0.162 0.000 0.713 242 V HN 0.367 nan 8.190 nan 0.000 0.465 243 A N 0.597 123.421 122.820 0.006 0.000 2.067 243 A HA 0.025 4.345 4.320 -0.000 0.000 0.219 243 A C 2.103 179.714 177.584 0.044 0.000 1.158 243 A CA 1.703 53.744 52.037 0.006 0.000 0.661 243 A CB -0.573 18.399 19.000 -0.047 0.000 0.801 243 A HN 0.555 nan 8.150 nan 0.000 0.452 244 G N -2.939 105.893 108.800 0.054 0.000 3.159 244 G HA2 0.168 4.128 3.960 -0.000 0.000 0.232 244 G HA3 0.168 4.128 3.960 -0.000 0.000 0.232 244 G C 1.154 176.114 174.900 0.101 0.000 1.116 244 G CA 0.528 45.663 45.100 0.057 0.000 0.767 244 G HN 0.524 nan 8.290 nan 0.000 0.547 245 H N 1.368 120.468 119.070 0.049 0.000 2.275 245 H HA 0.036 4.592 4.556 -0.000 0.000 0.315 245 H C 2.209 177.596 175.328 0.098 0.000 1.058 245 H CA 1.575 57.660 56.048 0.062 0.000 1.387 245 H CB -0.091 29.742 29.762 0.118 0.000 1.435 245 H HN 0.260 nan 8.280 nan 0.000 0.530 246 E N 0.040 120.507 120.200 0.446 0.000 2.273 246 E HA -0.128 4.222 4.350 -0.000 0.000 0.198 246 E C 2.014 178.749 176.600 0.224 0.000 1.002 246 E CA 2.015 58.604 56.400 0.316 0.000 0.828 246 E CB -0.167 29.648 29.700 0.193 0.000 0.747 246 E HN 0.684 nan 8.360 nan 0.000 0.491 247 T N -3.723 110.938 114.554 0.177 0.000 2.814 247 T HA -0.052 4.298 4.350 -0.000 0.000 0.254 247 T C 2.021 176.788 174.700 0.111 0.000 1.037 247 T CA 1.359 63.535 62.100 0.126 0.000 1.143 247 T CB -0.839 68.090 68.868 0.102 0.000 0.866 247 T HN 0.013 nan 8.240 nan 0.000 0.431 248 T N 2.163 116.776 114.554 0.099 0.000 2.746 248 T HA -0.042 4.308 4.350 -0.000 0.000 0.267 248 T C 2.166 176.906 174.700 0.066 0.000 1.039 248 T CA 1.082 63.225 62.100 0.072 0.000 1.142 248 T CB -0.731 68.156 68.868 0.032 0.000 0.866 248 T HN 0.176 nan 8.240 nan 0.000 0.444 249 V N 2.717 122.679 119.914 0.081 0.000 2.282 249 V HA -0.221 3.899 4.120 -0.000 0.000 0.249 249 V C 2.419 178.591 176.094 0.129 0.000 1.057 249 V CA 1.687 64.053 62.300 0.111 0.000 1.032 249 V CB -0.537 31.421 31.823 0.224 0.000 0.645 249 V HN 0.503 nan 8.190 nan 0.000 0.447 250 N N -0.340 118.448 118.700 0.145 0.000 2.331 250 N HA -0.079 4.661 4.740 -0.000 0.000 0.180 250 N C 1.651 177.230 175.510 0.115 0.000 1.019 250 N CA 0.973 54.106 53.050 0.138 0.000 0.881 250 N CB -0.239 38.347 38.487 0.165 0.000 0.972 250 N HN 0.404 nan 8.380 nan 0.000 0.435 251 L N 1.445 122.724 121.223 0.093 0.000 2.017 251 L HA -0.012 4.328 4.340 -0.000 0.000 0.208 251 L C 1.977 178.894 176.870 0.078 0.000 1.073 251 L CA 1.304 56.187 54.840 0.071 0.000 0.745 251 L CB -0.586 41.505 42.059 0.053 0.000 0.894 251 L HN 0.016 nan 8.230 nan 0.000 0.432 252 I N -0.241 120.373 120.570 0.074 0.000 2.127 252 I HA -0.336 3.834 4.170 -0.000 0.000 0.241 252 I C 2.603 178.767 176.117 0.079 0.000 1.075 252 I CA 1.415 62.756 61.300 0.068 0.000 1.334 252 I CB -0.728 37.304 38.000 0.054 0.000 1.040 252 I HN 0.403 nan 8.210 nan 0.000 0.405 253 A N 0.898 123.767 122.820 0.082 0.000 1.855 253 A HA -0.191 4.129 4.320 -0.000 0.000 0.215 253 A C 2.053 179.706 177.584 0.114 0.000 1.191 253 A CA 1.923 54.004 52.037 0.074 0.000 0.613 253 A CB -0.700 18.323 19.000 0.039 0.000 0.829 253 A HN 0.395 nan 8.150 nan 0.000 0.442 254 N N 0.317 119.103 118.700 0.143 0.000 2.166 254 N HA -0.091 4.649 4.740 -0.000 0.000 0.186 254 N C 1.761 177.390 175.510 0.198 0.000 1.019 254 N CA 1.441 54.639 53.050 0.247 0.000 0.856 254 N CB -0.772 37.867 38.487 0.253 0.000 0.993 254 N HN 0.479 nan 8.380 nan 0.000 0.426 255 G N 0.632 109.504 108.800 0.120 0.000 2.402 255 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.216 255 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.216 255 G C 1.434 176.374 174.900 0.067 0.000 1.162 255 G CA 0.482 45.627 45.100 0.075 0.000 0.777 255 G HN 0.127 nan 8.290 nan 0.000 0.539 256 M N -0.408 119.251 119.600 0.099 0.000 2.254 256 M HA 0.074 4.554 4.480 -0.000 0.000 0.265 256 M C 2.277 178.652 176.300 0.125 0.000 1.066 256 M CA 0.488 55.848 55.300 0.100 0.000 1.123 256 M CB -1.011 31.646 32.600 0.096 0.000 1.388 256 M HN 0.426 nan 8.290 nan 0.000 0.425 257 Y N 1.367 121.685 120.300 0.030 0.000 2.200 257 Y HA -0.061 4.489 4.550 -0.000 0.000 0.290 257 Y C 2.300 178.227 175.900 0.045 0.000 1.137 257 Y CA 1.587 59.713 58.100 0.043 0.000 1.163 257 Y CB -0.687 37.806 38.460 0.056 0.000 0.988 257 Y HN 0.152 nan 8.280 nan 0.000 0.518 258 A N 0.502 123.140 122.820 -0.304 0.000 1.883 258 A HA -0.203 4.117 4.320 -0.000 0.000 0.217 258 A C 2.232 179.569 177.584 -0.411 0.000 1.186 258 A CA 1.996 53.663 52.037 -0.616 0.000 0.624 258 A CB -1.304 17.140 19.000 -0.927 0.000 0.822 258 A HN 0.503 nan 8.150 nan 0.000 0.444 259 L N -0.336 120.803 121.223 -0.140 0.000 2.017 259 L HA -0.068 4.272 4.340 -0.000 0.000 0.208 259 L C 2.382 179.311 176.870 0.099 0.000 1.073 259 L CA 1.589 56.503 54.840 0.123 0.000 0.745 259 L CB -0.547 41.597 42.059 0.141 0.000 0.894 259 L HN 0.418 nan 8.230 nan 0.000 0.432 260 L N -1.060 120.196 121.223 0.055 0.000 2.275 260 L HA -0.121 4.219 4.340 -0.000 0.000 0.215 260 L C 2.144 179.030 176.870 0.026 0.000 1.119 260 L CA 1.184 56.064 54.840 0.066 0.000 0.790 260 L CB -0.613 41.509 42.059 0.105 0.000 0.919 260 L HN 0.433 nan 8.230 nan 0.000 0.443 261 S N -2.683 112.980 115.700 -0.062 0.000 2.575 261 S HA 0.008 4.478 4.470 -0.000 0.000 0.215 261 S C 0.312 174.722 174.600 -0.317 0.000 0.966 261 S CA -0.217 57.880 58.200 -0.173 0.000 0.911 261 S CB -0.233 62.736 63.200 -0.385 0.000 0.780 261 S HN 0.433 nan 8.310 nan 0.000 0.514 262 H N 0.883 119.924 119.070 -0.050 0.000 2.429 262 H HA 0.390 4.946 4.556 0.000 0.000 0.231 262 H C -2.387 172.965 175.328 0.041 0.000 1.416 262 H CA -1.523 54.536 56.048 0.018 0.000 1.443 262 H CB 0.977 30.807 29.762 0.115 0.000 1.591 262 H HN 0.113 nan 8.280 nan 0.000 0.507 263 P HA -0.282 nan 4.420 nan 0.000 0.217 263 P C 1.496 178.833 177.300 0.062 0.000 1.158 263 P CA 1.853 64.988 63.100 0.058 0.000 0.887 263 P CB 0.399 32.115 31.700 0.027 0.000 0.792 264 D N -0.861 119.576 120.400 0.061 0.000 2.104 264 D HA -0.226 4.414 4.640 -0.000 0.000 0.194 264 D C 1.659 177.978 176.300 0.032 0.000 0.994 264 D CA 1.378 55.402 54.000 0.040 0.000 0.830 264 D CB -0.962 39.858 40.800 0.034 0.000 0.959 264 D HN 0.191 nan 8.370 nan 0.000 0.452 265 Q N 0.078 119.912 119.800 0.057 0.000 2.119 265 Q HA -0.028 4.312 4.340 -0.000 0.000 0.201 265 Q C 2.526 178.544 176.000 0.030 0.000 0.972 265 Q CA 0.361 56.165 55.803 0.001 0.000 0.847 265 Q CB -0.563 28.154 28.738 -0.035 0.000 0.903 265 Q HN 0.348 nan 8.270 nan 0.000 0.433 266 L N 0.816 122.089 121.223 0.084 0.000 2.083 266 L HA -0.091 4.249 4.340 -0.000 0.000 0.209 266 L C 2.093 178.987 176.870 0.040 0.000 1.083 266 L CA 2.041 56.925 54.840 0.073 0.000 0.752 266 L CB -0.730 41.380 42.059 0.084 0.000 0.899 266 L HN 0.112 nan 8.230 nan 0.000 0.433 267 A N -0.385 122.454 122.820 0.032 0.000 1.873 267 A HA -0.043 4.277 4.320 -0.000 0.000 0.215 267 A C 2.476 180.064 177.584 0.006 0.000 1.186 267 A CA 1.691 53.740 52.037 0.020 0.000 0.616 267 A CB -1.212 17.799 19.000 0.017 0.000 0.823 267 A HN 0.577 nan 8.150 nan 0.000 0.442 268 A N -0.503 122.315 122.820 -0.005 0.000 1.908 268 A HA -0.072 4.248 4.320 -0.000 0.000 0.218 268 A C 2.139 179.712 177.584 -0.018 0.000 1.181 268 A CA 1.829 53.854 52.037 -0.019 0.000 0.627 268 A CB -0.618 18.357 19.000 -0.041 0.000 0.818 268 A HN 0.703 nan 8.150 nan 0.000 0.445 269 L N -0.360 120.855 121.223 -0.015 0.000 2.093 269 L HA -0.061 4.279 4.340 -0.000 0.000 0.208 269 L C 2.382 179.252 176.870 0.002 0.000 1.085 269 L CA 1.773 56.608 54.840 -0.009 0.000 0.755 269 L CB -0.602 41.458 42.059 0.001 0.000 0.904 269 L HN 0.333 nan 8.230 nan 0.000 0.435 270 R N -0.647 119.858 120.500 0.009 0.000 2.081 270 R HA -0.136 4.204 4.340 -0.000 0.000 0.235 270 R C 2.237 178.540 176.300 0.005 0.000 1.131 270 R CA 1.374 57.480 56.100 0.010 0.000 0.960 270 R CB -0.587 29.723 30.300 0.016 0.000 0.856 270 R HN 0.540 nan 8.270 nan 0.000 0.436 271 A N 0.645 123.466 122.820 0.002 0.000 1.877 271 A HA -0.146 4.174 4.320 -0.000 0.000 0.216 271 A C 0.779 178.362 177.584 -0.003 0.000 1.186 271 A CA 1.374 53.410 52.037 -0.001 0.000 0.620 271 A CB -0.041 18.957 19.000 -0.003 0.000 0.822 271 A HN 0.230 nan 8.150 nan 0.000 0.443 272 D N -1.130 119.266 120.400 -0.007 0.000 2.420 272 D HA 0.358 4.998 4.640 -0.000 0.000 0.255 272 D C 0.605 176.901 176.300 -0.007 0.000 1.185 272 D CA -0.429 53.567 54.000 -0.008 0.000 0.904 272 D CB 0.415 41.208 40.800 -0.012 0.000 1.102 272 D HN 0.019 nan 8.370 nan 0.000 0.534 273 M N 1.544 121.142 119.600 -0.003 0.000 2.632 273 M HA -0.062 4.418 4.480 -0.000 0.000 0.256 273 M C 1.628 177.928 176.300 0.000 0.000 1.080 273 M CA 0.796 56.096 55.300 -0.000 0.000 1.084 273 M CB -0.987 31.614 32.600 0.002 0.000 1.439 273 M HN 0.467 nan 8.290 nan 0.000 0.509 274 T N -3.156 111.397 114.554 -0.002 0.000 3.118 274 T HA 0.048 4.398 4.350 -0.000 0.000 0.260 274 T C 1.605 176.303 174.700 -0.003 0.000 1.139 274 T CA 0.369 62.468 62.100 -0.001 0.000 1.085 274 T CB -0.345 68.522 68.868 -0.002 0.000 0.934 274 T HN 0.392 nan 8.240 nan 0.000 0.518 275 L N 0.404 121.621 121.223 -0.010 0.000 2.554 275 L HA 0.209 4.549 4.340 -0.000 0.000 0.226 275 L C 2.457 179.319 176.870 -0.013 0.000 1.137 275 L CA -0.116 54.712 54.840 -0.019 0.000 0.863 275 L CB -0.582 41.456 42.059 -0.035 0.000 0.985 275 L HN 0.227 nan 8.230 nan 0.000 0.451 276 L N 0.876 122.099 121.223 0.000 0.000 1.951 276 L HA -0.309 4.031 4.340 -0.000 0.000 0.222 276 L C 2.022 178.905 176.870 0.022 0.000 1.078 276 L CA 2.339 57.187 54.840 0.013 0.000 0.778 276 L CB -0.749 41.321 42.059 0.018 0.000 0.893 276 L HN 0.318 nan 8.230 nan 0.000 0.436 277 D N -0.195 120.222 120.400 0.028 0.000 2.149 277 D HA -0.180 4.460 4.640 -0.000 0.000 0.194 277 D C 2.043 178.369 176.300 0.043 0.000 1.001 277 D CA 1.582 55.608 54.000 0.044 0.000 0.849 277 D CB -0.523 40.304 40.800 0.045 0.000 0.939 277 D HN 0.599 nan 8.370 nan 0.000 0.449 278 G N 0.400 109.212 108.800 0.019 0.000 2.408 278 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.217 278 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.217 278 G C 1.715 176.602 174.900 -0.023 0.000 1.150 278 G CA 1.177 46.278 45.100 0.002 0.000 0.776 278 G HN 0.418 nan 8.290 nan 0.000 0.542 279 A N 0.288 123.092 122.820 -0.028 0.000 1.877 279 A HA 0.037 4.357 4.320 -0.000 0.000 0.216 279 A C 2.600 180.205 177.584 0.036 0.000 1.186 279 A CA 1.863 53.879 52.037 -0.034 0.000 0.620 279 A CB -0.738 18.259 19.000 -0.006 0.000 0.822 279 A HN 0.253 nan 8.150 nan 0.000 0.443 280 V N 0.415 120.361 119.914 0.053 0.000 2.332 280 V HA -0.227 3.892 4.120 -0.000 0.000 0.248 280 V C 2.576 178.702 176.094 0.052 0.000 1.055 280 V CA 2.169 64.513 62.300 0.072 0.000 1.038 280 V CB -0.725 31.148 31.823 0.084 0.000 0.651 280 V HN 0.526 nan 8.190 nan 0.000 0.450 281 E N -0.014 120.219 120.200 0.054 0.000 2.077 281 E HA -0.238 4.112 4.350 -0.000 0.000 0.193 281 E C 2.211 178.762 176.600 -0.082 0.000 0.989 281 E CA 1.379 57.800 56.400 0.036 0.000 0.800 281 E CB -0.246 29.532 29.700 0.131 0.000 0.746 281 E HN 0.678 nan 8.360 nan 0.000 0.452 282 E N 0.633 120.810 120.200 -0.038 0.000 2.204 282 E HA -0.096 4.254 4.350 -0.000 0.000 0.194 282 E C 1.974 178.648 176.600 0.123 0.000 0.989 282 E CA 0.915 57.290 56.400 -0.042 0.000 0.824 282 E CB -0.134 29.465 29.700 -0.168 0.000 0.756 282 E HN 0.216 nan 8.360 nan 0.000 0.477 283 M N -0.498 119.196 119.600 0.158 0.000 2.200 283 M HA -0.066 4.414 4.480 -0.000 0.000 0.265 283 M C 2.121 178.411 176.300 -0.016 0.000 1.066 283 M CA 1.059 56.455 55.300 0.161 0.000 1.127 283 M CB -0.196 32.479 32.600 0.125 0.000 1.379 283 M HN 0.137 nan 8.290 nan 0.000 0.420 284 L N -0.361 120.764 121.223 -0.162 0.000 2.046 284 L HA -0.195 4.145 4.340 -0.000 0.000 0.208 284 L C 2.860 179.437 176.870 -0.488 0.000 1.077 284 L CA 1.130 55.753 54.840 -0.361 0.000 0.747 284 L CB -0.627 41.080 42.059 -0.587 0.000 0.896 284 L HN 0.322 nan 8.230 nan 0.000 0.432 285 R N -0.779 119.385 120.500 -0.561 0.000 2.093 285 R HA -0.185 4.155 4.340 -0.000 0.000 0.224 285 R C 2.282 178.360 176.300 -0.369 0.000 1.101 285 R CA 1.430 57.088 56.100 -0.737 0.000 0.979 285 R CB -0.342 29.550 30.300 -0.680 0.000 0.877 285 R HN 0.281 nan 8.270 nan 0.000 0.441 286 Y N 0.940 121.095 120.300 -0.242 0.000 2.231 286 Y HA 0.070 4.620 4.550 -0.000 0.000 0.294 286 Y C 0.719 176.574 175.900 -0.075 0.000 1.120 286 Y CA 1.179 59.200 58.100 -0.131 0.000 1.141 286 Y CB 0.556 39.007 38.460 -0.017 0.000 1.022 286 Y HN -0.020 nan 8.280 nan 0.000 0.523 287 E N 0.542 120.699 120.200 -0.072 0.000 3.575 287 E HA 0.230 4.580 4.350 -0.000 0.000 0.201 287 E C -0.006 176.612 176.600 0.031 0.000 0.999 287 E CA 0.009 56.378 56.400 -0.052 0.000 1.315 287 E CB 0.246 29.964 29.700 0.030 0.000 1.146 287 E HN 0.390 nan 8.360 nan 0.000 0.453 288 G N 2.801 111.602 108.800 0.002 0.000 2.484 288 G HA2 0.023 3.983 3.960 -0.000 0.000 0.235 288 G HA3 0.023 3.983 3.960 -0.000 0.000 0.235 288 G C -1.012 173.914 174.900 0.044 0.000 1.282 288 G CA -0.638 44.453 45.100 -0.015 0.000 0.857 288 G HN 0.008 nan 8.290 nan 0.000 0.571 289 P HA -0.060 nan 4.420 nan 0.000 0.223 289 P C 0.464 177.807 177.300 0.071 0.000 1.151 289 P CA 0.500 63.651 63.100 0.084 0.000 0.787 289 P CB 0.257 32.006 31.700 0.081 0.000 0.788 290 V N 1.993 121.928 119.914 0.036 0.000 2.320 290 V HA 0.124 4.243 4.120 -0.000 0.000 0.265 290 V C 1.882 177.986 176.094 0.016 0.000 1.048 290 V CA 0.037 62.354 62.300 0.028 0.000 0.865 290 V CB 0.383 32.212 31.823 0.010 0.000 1.043 290 V HN 0.050 nan 8.190 nan 0.000 0.474 291 E N 2.974 123.184 120.200 0.017 0.000 2.072 291 E HA -0.033 4.317 4.350 -0.000 0.000 0.190 291 E C 0.462 177.024 176.600 -0.064 0.000 0.982 291 E CA 0.715 57.104 56.400 -0.019 0.000 0.803 291 E CB 0.365 30.063 29.700 -0.003 0.000 0.755 291 E HN 0.656 nan 8.360 nan 0.000 0.453 292 S N -0.459 115.224 115.700 -0.028 0.000 2.547 292 S HA 0.599 5.069 4.470 -0.000 0.000 0.281 292 S C -0.733 173.858 174.600 -0.015 0.000 1.118 292 S CA -0.618 57.557 58.200 -0.041 0.000 0.947 292 S CB 1.837 65.035 63.200 -0.002 0.000 1.053 292 S HN 0.404 nan 8.310 nan 0.000 0.482 293 A N 2.202 125.001 122.820 -0.036 0.000 2.366 293 A HA 0.570 4.890 4.320 -0.000 0.000 0.250 293 A C 0.901 178.478 177.584 -0.011 0.000 1.099 293 A CA -0.167 51.852 52.037 -0.030 0.000 0.794 293 A CB -0.387 18.580 19.000 -0.054 0.000 1.056 293 A HN 0.878 nan 8.150 nan 0.000 0.499 294 T N -1.478 113.054 114.554 -0.038 0.000 2.860 294 T HA 0.369 4.719 4.350 -0.000 0.000 0.299 294 T C -0.075 174.615 174.700 -0.017 0.000 1.045 294 T CA -0.346 61.726 62.100 -0.047 0.000 1.071 294 T CB -0.031 68.778 68.868 -0.099 0.000 0.985 294 T HN 0.316 nan 8.240 nan 0.000 0.537 295 Y N 1.497 121.657 120.300 -0.233 0.000 2.969 295 Y HA 0.122 4.672 4.550 -0.000 0.000 0.339 295 Y C 1.355 176.765 175.900 -0.816 0.000 1.272 295 Y CA -0.098 57.707 58.100 -0.491 0.000 1.577 295 Y CB -0.357 37.774 38.460 -0.548 0.000 1.234 295 Y HN 0.557 nan 8.280 nan 0.000 0.590 296 R N 3.202 123.276 120.500 -0.709 0.000 2.686 296 R HA 0.592 4.932 4.340 -0.000 0.000 0.286 296 R C -1.679 174.133 176.300 -0.813 0.000 0.969 296 R CA -0.861 54.846 56.100 -0.654 0.000 0.898 296 R CB 1.644 31.840 30.300 -0.174 0.000 1.183 296 R HN 0.430 nan 8.270 nan 0.000 0.456 297 F N 2.831 122.739 119.950 -0.069 0.000 2.496 297 F HA 0.344 4.871 4.527 -0.000 0.000 0.341 297 F C -1.970 173.712 175.800 -0.197 0.000 1.134 297 F CA -2.501 55.416 58.000 -0.137 0.000 0.968 297 F CB 1.780 40.668 39.000 -0.186 0.000 1.205 297 F HN 0.216 nan 8.300 nan 0.000 0.436 298 P HA -0.028 nan 4.420 nan 0.000 0.267 298 P C 0.774 177.934 177.300 -0.234 0.000 1.205 298 P CA 0.091 62.906 63.100 -0.474 0.000 0.765 298 P CB 1.637 32.970 31.700 -0.610 0.000 0.828 299 V N 0.643 120.426 119.914 -0.219 0.000 3.380 299 V HA 0.026 4.146 4.120 -0.000 0.000 0.268 299 V C 0.687 176.705 176.094 -0.126 0.000 1.168 299 V CA 0.847 63.074 62.300 -0.122 0.000 1.156 299 V CB -1.413 30.359 31.823 -0.085 0.000 0.785 299 V HN 0.669 nan 8.190 nan 0.000 0.487 300 E N -0.838 119.254 120.200 -0.180 0.000 2.445 300 E HA 0.566 4.916 4.350 -0.000 0.000 0.279 300 E C -3.351 173.137 176.600 -0.187 0.000 1.018 300 E CA -2.715 53.596 56.400 -0.148 0.000 0.816 300 E CB 1.113 30.738 29.700 -0.125 0.000 1.356 300 E HN 0.011 nan 8.360 nan 0.000 0.462 301 P HA 0.098 nan 4.420 nan 0.000 0.268 301 P C -0.923 176.270 177.300 -0.178 0.000 1.204 301 P CA -0.198 62.811 63.100 -0.153 0.000 0.768 301 P CB 0.653 32.293 31.700 -0.101 0.000 0.842 302 V N 3.494 123.275 119.914 -0.223 0.000 2.495 302 V HA 0.299 4.419 4.120 -0.000 0.000 0.298 302 V C -0.078 175.929 176.094 -0.145 0.000 1.031 302 V CA -0.442 61.746 62.300 -0.187 0.000 0.871 302 V CB 2.047 33.729 31.823 -0.236 0.000 0.988 302 V HN 0.511 nan 8.190 nan 0.000 0.432 303 D N 4.973 125.319 120.400 -0.090 0.000 2.373 303 D HA 0.351 4.991 4.640 -0.000 0.000 0.227 303 D C -0.855 175.413 176.300 -0.053 0.000 1.091 303 D CA -0.271 53.683 54.000 -0.077 0.000 0.840 303 D CB 1.420 42.188 40.800 -0.054 0.000 1.060 303 D HN 0.425 nan 8.370 nan 0.000 0.502 304 L N 4.110 125.291 121.223 -0.071 0.000 2.321 304 L HA 0.169 4.508 4.340 -0.000 0.000 0.272 304 L C 0.190 177.033 176.870 -0.045 0.000 1.050 304 L CA -0.620 54.189 54.840 -0.053 0.000 0.893 304 L CB 0.641 42.656 42.059 -0.074 0.000 1.272 304 L HN 0.495 nan 8.230 nan 0.000 0.435 305 D N 3.068 123.452 120.400 -0.027 0.000 2.697 305 D HA -0.197 4.443 4.640 -0.000 0.000 0.238 305 D C 1.098 177.389 176.300 -0.015 0.000 1.152 305 D CA 1.442 55.433 54.000 -0.015 0.000 0.666 305 D CB -0.530 40.265 40.800 -0.008 0.000 1.037 305 D HN 0.990 nan 8.370 nan 0.000 0.423 306 G N -1.128 107.661 108.800 -0.019 0.000 2.358 306 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.224 306 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.224 306 G C 0.569 175.459 174.900 -0.018 0.000 1.073 306 G CA 0.264 45.357 45.100 -0.012 0.000 0.635 306 G HN 0.744 nan 8.290 nan 0.000 0.509 307 T N 1.759 116.294 114.554 -0.033 0.000 2.794 307 T HA 0.523 4.873 4.350 -0.000 0.000 0.296 307 T C 0.118 174.753 174.700 -0.108 0.000 0.949 307 T CA 0.009 62.086 62.100 -0.039 0.000 1.101 307 T CB 2.221 71.065 68.868 -0.039 0.000 0.905 307 T HN 0.529 nan 8.240 nan 0.000 0.516 308 V N 5.752 125.606 119.914 -0.100 0.000 2.347 308 V HA 0.367 4.487 4.120 -0.000 0.000 0.280 308 V C 0.203 176.122 176.094 -0.291 0.000 1.021 308 V CA -0.744 61.461 62.300 -0.159 0.000 0.847 308 V CB 0.919 32.694 31.823 -0.079 0.000 0.990 308 V HN 0.789 nan 8.190 nan 0.000 0.444 309 I N 8.543 128.820 120.570 -0.488 0.000 2.301 309 I HA 0.287 4.457 4.170 -0.000 0.000 0.292 309 I C -1.879 174.024 176.117 -0.358 0.000 1.046 309 I CA -1.783 59.063 61.300 -0.756 0.000 1.282 309 I CB 1.438 38.850 38.000 -0.980 0.000 1.409 309 I HN 0.400 nan 8.210 nan 0.000 0.484 310 P HA 0.046 nan 4.420 nan 0.000 0.269 310 P C -0.284 176.957 177.300 -0.098 0.000 1.215 310 P CA -0.307 62.745 63.100 -0.080 0.000 0.780 310 P CB 0.746 32.459 31.700 0.020 0.000 0.898 311 A N 1.805 124.567 122.820 -0.096 0.000 2.531 311 A HA 0.401 4.721 4.320 -0.000 0.000 0.236 311 A C 1.545 179.100 177.584 -0.047 0.000 1.062 311 A CA 0.880 52.858 52.037 -0.098 0.000 0.760 311 A CB -1.395 17.553 19.000 -0.088 0.000 0.995 311 A HN 0.893 nan 8.150 nan 0.000 0.501 312 G N 1.779 110.559 108.800 -0.033 0.000 2.268 312 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.240 312 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.240 312 G C 0.081 175.013 174.900 0.054 0.000 1.010 312 G CA 0.428 45.519 45.100 -0.015 0.000 0.618 312 G HN 0.850 nan 8.290 nan 0.000 0.516 313 D N 1.338 121.794 120.400 0.093 0.000 2.368 313 D HA 0.499 5.139 4.640 -0.000 0.000 0.240 313 D C 0.677 177.117 176.300 0.234 0.000 1.169 313 D CA 0.662 54.775 54.000 0.189 0.000 0.906 313 D CB 0.713 41.704 40.800 0.318 0.000 1.187 313 D HN 0.098 nan 8.370 nan 0.000 0.435 314 T N 0.988 115.659 114.554 0.195 0.000 2.780 314 T HA 0.403 4.752 4.350 -0.000 0.000 0.294 314 T C -0.158 174.554 174.700 0.020 0.000 0.949 314 T CA -0.511 61.587 62.100 -0.002 0.000 1.074 314 T CB 0.635 69.323 68.868 -0.300 0.000 0.910 314 T HN -0.026 nan 8.240 nan 0.000 0.501 315 V N 5.313 125.173 119.914 -0.089 0.000 2.604 315 V HA 0.506 4.626 4.120 -0.000 0.000 0.305 315 V C -0.353 175.708 176.094 -0.055 0.000 1.043 315 V CA -0.899 61.413 62.300 0.019 0.000 0.888 315 V CB 1.752 33.620 31.823 0.074 0.000 0.995 315 V HN 0.719 nan 8.190 nan 0.000 0.429 316 L N 4.724 125.951 121.223 0.006 0.000 2.342 316 L HA 0.522 4.862 4.340 -0.000 0.000 0.276 316 L C -0.569 176.272 176.870 -0.047 0.000 0.997 316 L CA -0.773 54.066 54.840 -0.002 0.000 0.838 316 L CB 1.959 44.047 42.059 0.049 0.000 1.224 316 L HN 0.372 nan 8.230 nan 0.000 0.416 317 V N 4.389 124.245 119.914 -0.097 0.000 2.427 317 V HA 0.061 4.181 4.120 -0.000 0.000 0.268 317 V C 0.543 176.548 176.094 -0.148 0.000 1.046 317 V CA -0.433 61.783 62.300 -0.139 0.000 0.970 317 V CB 1.391 33.113 31.823 -0.169 0.000 1.001 317 V HN 0.430 nan 8.190 nan 0.000 0.476 318 V N 7.594 127.392 119.914 -0.194 0.000 2.287 318 V HA 0.082 4.202 4.120 -0.000 0.000 0.246 318 V C 1.417 177.349 176.094 -0.269 0.000 1.165 318 V CA 0.059 62.182 62.300 -0.296 0.000 1.088 318 V CB -0.131 31.374 31.823 -0.530 0.000 1.242 318 V HN 0.772 nan 8.190 nan 0.000 0.497 319 L N 3.033 124.113 121.223 -0.238 0.000 2.131 319 L HA -0.161 4.179 4.340 -0.000 0.000 0.210 319 L C 2.634 179.242 176.870 -0.438 0.000 1.092 319 L CA 1.621 56.261 54.840 -0.334 0.000 0.759 319 L CB -0.639 41.273 42.059 -0.244 0.000 0.903 319 L HN 0.676 nan 8.230 nan 0.000 0.435 320 A N 0.434 123.126 122.820 -0.213 0.000 1.902 320 A HA -0.288 4.032 4.320 -0.000 0.000 0.217 320 A C 2.004 179.657 177.584 0.116 0.000 1.181 320 A CA 2.170 54.207 52.037 0.000 0.000 0.623 320 A CB -0.631 18.364 19.000 -0.008 0.000 0.818 320 A HN 0.462 nan 8.150 nan 0.000 0.443 321 D N -0.608 119.783 120.400 -0.015 0.000 2.183 321 D HA 0.057 4.697 4.640 -0.000 0.000 0.203 321 D C 1.955 178.343 176.300 0.146 0.000 0.969 321 D CA 1.227 55.302 54.000 0.124 0.000 0.842 321 D CB -0.135 40.673 40.800 0.013 0.000 0.957 321 D HN 0.337 nan 8.370 nan 0.000 0.484 322 A N -0.436 122.412 122.820 0.047 0.000 1.933 322 A HA -0.188 4.132 4.320 -0.000 0.000 0.218 322 A C 1.778 179.626 177.584 0.440 0.000 1.175 322 A CA 1.487 53.641 52.037 0.195 0.000 0.628 322 A CB -1.035 17.974 19.000 0.015 0.000 0.814 322 A HN 0.508 nan 8.150 nan 0.000 0.444 323 H N -1.652 117.587 119.070 0.283 0.000 2.563 323 H HA 0.096 4.652 4.556 -0.000 0.000 0.272 323 H C 0.942 176.316 175.328 0.076 0.000 1.005 323 H CA 0.114 56.226 56.048 0.106 0.000 1.171 323 H CB 0.339 30.072 29.762 -0.048 0.000 1.351 323 H HN 0.180 nan 8.280 nan 0.000 0.602 324 R N 0.383 121.054 120.500 0.285 0.000 2.577 324 R HA 0.137 4.477 4.340 -0.000 0.000 0.344 324 R C -0.204 176.196 176.300 0.167 0.000 1.037 324 R CA -0.015 56.182 56.100 0.161 0.000 1.102 324 R CB 0.242 30.660 30.300 0.196 0.000 1.313 324 R HN 0.015 nan 8.270 nan 0.000 0.561 325 T N 3.061 117.768 114.554 0.255 0.000 2.727 325 T HA 0.147 4.497 4.350 -0.000 0.000 0.295 325 T C -1.711 173.058 174.700 0.115 0.000 0.915 325 T CA -1.264 60.947 62.100 0.184 0.000 1.066 325 T CB 1.658 70.657 68.868 0.218 0.000 0.891 325 T HN -0.074 nan 8.240 nan 0.000 0.516 326 P HA -0.152 nan 4.420 nan 0.000 0.216 326 P C 1.279 178.566 177.300 -0.022 0.000 1.154 326 P CA 1.052 64.164 63.100 0.020 0.000 0.865 326 P CB 0.226 31.938 31.700 0.020 0.000 0.789 327 E N -1.292 118.889 120.200 -0.031 0.000 2.209 327 E HA -0.163 4.187 4.350 -0.000 0.000 0.196 327 E C 2.026 178.511 176.600 -0.191 0.000 0.993 327 E CA 1.022 57.376 56.400 -0.077 0.000 0.819 327 E CB -0.360 29.313 29.700 -0.045 0.000 0.745 327 E HN 0.125 nan 8.360 nan 0.000 0.477 328 R N -1.052 119.276 120.500 -0.287 0.000 2.146 328 R HA 0.200 4.540 4.340 -0.000 0.000 0.206 328 R C -0.091 175.661 176.300 -0.913 0.000 1.049 328 R CA 0.405 56.085 56.100 -0.699 0.000 1.029 328 R CB 0.373 30.038 30.300 -1.058 0.000 0.949 328 R HN 0.157 nan 8.270 nan 0.000 0.471 329 F N 1.516 121.390 119.950 -0.126 0.000 2.676 329 F HA 0.381 4.908 4.527 -0.000 0.000 0.371 329 F C -2.237 173.518 175.800 -0.076 0.000 1.141 329 F CA -2.475 55.472 58.000 -0.088 0.000 1.133 329 F CB 1.739 40.707 39.000 -0.054 0.000 1.376 329 F HN -0.248 nan 8.300 nan 0.000 0.491 330 P HA -0.069 nan 4.420 nan 0.000 0.265 330 P C 0.048 177.359 177.300 0.019 0.000 1.187 330 P CA 0.656 63.763 63.100 0.011 0.000 0.766 330 P CB 0.445 32.140 31.700 -0.009 0.000 0.820 331 D N 3.134 123.532 120.400 -0.003 0.000 2.735 331 D HA -0.148 4.492 4.640 -0.000 0.000 0.235 331 D C -1.419 174.855 176.300 -0.042 0.000 1.175 331 D CA 0.153 54.145 54.000 -0.012 0.000 0.683 331 D CB -0.733 40.069 40.800 0.003 0.000 1.008 331 D HN 0.214 nan 8.370 nan 0.000 0.416 332 P HA -0.200 nan 4.420 nan 0.000 0.217 332 P C 1.150 178.347 177.300 -0.171 0.000 1.162 332 P CA 1.484 64.470 63.100 -0.191 0.000 0.901 332 P CB -0.085 31.382 31.700 -0.389 0.000 0.793 333 H N -1.845 117.276 119.070 0.085 0.000 2.563 333 H HA 0.047 4.603 4.556 -0.000 0.000 0.272 333 H C 1.060 176.485 175.328 0.162 0.000 1.005 333 H CA 0.475 56.598 56.048 0.126 0.000 1.171 333 H CB -0.467 29.332 29.762 0.062 0.000 1.351 333 H HN 0.167 nan 8.280 nan 0.000 0.602 334 R N 0.946 121.510 120.500 0.107 0.000 2.221 334 R HA 0.065 4.405 4.340 -0.000 0.000 0.327 334 R C -1.012 175.166 176.300 -0.203 0.000 1.033 334 R CA -0.619 55.477 56.100 -0.007 0.000 0.887 334 R CB 0.119 30.408 30.300 -0.017 0.000 1.057 334 R HN -0.084 nan 8.270 nan 0.000 0.455 335 F N 5.352 124.887 119.950 -0.692 0.000 2.405 335 F HA 0.197 4.724 4.527 -0.000 0.000 0.358 335 F C -0.736 174.742 175.800 -0.537 0.000 1.151 335 F CA -0.796 56.588 58.000 -1.026 0.000 1.161 335 F CB 0.486 38.422 39.000 -1.773 0.000 1.245 335 F HN 0.451 nan 8.300 nan 0.000 0.545 336 D N 7.023 127.003 120.400 -0.701 0.000 2.462 336 D HA 0.137 4.777 4.640 -0.000 0.000 0.245 336 D C 1.119 177.063 176.300 -0.593 0.000 1.122 336 D CA -0.406 53.261 54.000 -0.555 0.000 0.864 336 D CB 0.812 41.444 40.800 -0.279 0.000 1.098 336 D HN 0.636 nan 8.370 nan 0.000 0.541 337 I N 0.825 121.000 120.570 -0.658 0.000 2.916 337 I HA 0.020 4.190 4.170 -0.000 0.000 0.267 337 I C 1.315 177.287 176.117 -0.241 0.000 1.263 337 I CA 0.437 61.461 61.300 -0.460 0.000 1.471 337 I CB 0.144 37.915 38.000 -0.381 0.000 1.089 337 I HN 0.053 nan 8.210 nan 0.000 0.468 338 R N 1.304 121.680 120.500 -0.206 0.000 2.334 338 R HA 0.208 4.548 4.340 -0.000 0.000 0.216 338 R C 0.975 177.220 176.300 -0.092 0.000 0.905 338 R CA -0.352 55.675 56.100 -0.121 0.000 1.064 338 R CB 0.089 30.328 30.300 -0.101 0.000 1.046 338 R HN 0.391 nan 8.270 nan 0.000 0.508 339 R N 1.880 122.311 120.500 -0.114 0.000 2.734 339 R HA -0.067 4.272 4.340 -0.000 0.000 0.266 339 R C -0.565 175.731 176.300 -0.007 0.000 1.044 339 R CA 0.071 56.135 56.100 -0.060 0.000 1.128 339 R CB 0.428 30.683 30.300 -0.075 0.000 1.010 339 R HN -0.191 nan 8.270 nan 0.000 0.461 340 D N 1.670 122.088 120.400 0.030 0.000 2.339 340 D HA 0.002 4.642 4.640 -0.000 0.000 0.256 340 D C 0.599 176.988 176.300 0.149 0.000 1.214 340 D CA 0.049 54.084 54.000 0.058 0.000 0.877 340 D CB 1.292 42.110 40.800 0.030 0.000 1.111 340 D HN 0.604 nan 8.370 nan 0.000 0.478 341 T N 0.859 115.512 114.554 0.165 0.000 3.022 341 T HA 0.329 4.679 4.350 -0.000 0.000 0.250 341 T C 1.022 175.928 174.700 0.343 0.000 1.060 341 T CA 0.060 62.331 62.100 0.285 0.000 1.013 341 T CB -0.035 68.961 68.868 0.215 0.000 0.982 341 T HN 0.449 nan 8.240 nan 0.000 0.508 342 A N 1.015 123.950 122.820 0.192 0.000 2.600 342 A HA 0.423 4.743 4.320 -0.000 0.000 0.244 342 A C 1.733 179.400 177.584 0.137 0.000 1.016 342 A CA 0.663 52.773 52.037 0.121 0.000 0.778 342 A CB -1.235 17.796 19.000 0.052 0.000 0.920 342 A HN 1.646 nan 8.150 nan 0.000 0.513 343 G N 1.577 110.448 108.800 0.119 0.000 2.179 343 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.220 343 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.220 343 G C 0.267 175.427 174.900 0.434 0.000 0.990 343 G CA 0.436 45.654 45.100 0.196 0.000 0.646 343 G HN 1.995 nan 8.290 nan 0.000 0.517 344 H N 0.153 119.510 119.070 0.478 0.000 2.757 344 H HA 0.433 4.989 4.556 -0.000 0.000 0.370 344 H C 0.869 176.494 175.328 0.494 0.000 1.172 344 H CA 0.291 56.628 56.048 0.482 0.000 1.426 344 H CB 0.752 30.513 29.762 -0.002 0.000 1.438 344 H HN 0.186 nan 8.280 nan 0.000 0.612 345 L N 2.019 123.781 121.223 0.898 0.000 2.818 345 L HA 0.212 4.552 4.340 -0.000 0.000 0.243 345 L C 2.331 179.475 176.870 0.455 0.000 1.185 345 L CA 0.189 55.338 54.840 0.515 0.000 0.988 345 L CB 0.032 42.229 42.059 0.231 0.000 1.292 345 L HN 0.767 nan 8.230 nan 0.000 0.519 346 A N 0.517 123.699 122.820 0.605 0.000 1.997 346 A HA -0.176 4.143 4.320 -0.000 0.000 0.221 346 A C 1.728 179.229 177.584 -0.139 0.000 1.172 346 A CA 1.771 53.882 52.037 0.124 0.000 0.645 346 A CB -0.552 18.268 19.000 -0.299 0.000 0.813 346 A HN 0.484 nan 8.150 nan 0.000 0.454 347 F N -1.264 118.772 119.950 0.143 0.000 2.653 347 F HA 0.421 4.948 4.527 -0.000 0.000 0.304 347 F C 1.497 177.142 175.800 -0.258 0.000 1.092 347 F CA 0.398 58.284 58.000 -0.190 0.000 1.279 347 F CB 0.418 39.102 39.000 -0.527 0.000 1.044 347 F HN 0.518 nan 8.300 nan 0.000 0.564 348 G N 0.593 109.490 108.800 0.162 0.000 2.587 348 G HA2 -0.110 3.850 3.960 -0.000 0.000 0.212 348 G HA3 -0.110 3.850 3.960 -0.000 0.000 0.212 348 G C -1.495 173.675 174.900 0.450 0.000 1.327 348 G CA -0.504 44.718 45.100 0.204 0.000 0.898 348 G HN 0.533 nan 8.290 nan 0.000 0.551 349 H N -0.824 118.419 119.070 0.289 0.000 3.140 349 H HA 0.682 5.238 4.556 -0.000 0.000 0.336 349 H C 0.395 175.825 175.328 0.170 0.000 1.142 349 H CA 1.893 58.109 56.048 0.280 0.000 1.308 349 H CB 1.104 30.946 29.762 0.134 0.000 1.970 349 H HN 2.720 nan 8.280 nan 0.000 0.521 350 G N 2.485 110.995 108.800 -0.483 0.000 2.472 350 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.205 350 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.205 350 G C 1.177 175.986 174.900 -0.152 0.000 1.270 350 G CA -0.052 44.805 45.100 -0.406 0.000 0.974 350 G HN 1.300 nan 8.290 nan 0.000 0.542 351 I N -2.304 118.137 120.570 -0.217 0.000 2.700 351 I HA 0.049 4.219 4.170 -0.000 0.000 0.261 351 I C 1.499 177.448 176.117 -0.279 0.000 1.219 351 I CA 1.786 62.930 61.300 -0.261 0.000 1.463 351 I CB -0.301 37.427 38.000 -0.454 0.000 1.092 351 I HN 0.446 nan 8.210 nan 0.000 0.452 352 H N 0.628 119.684 119.070 -0.023 0.000 2.549 352 H HA 0.219 4.775 4.556 -0.000 0.000 0.279 352 H C 0.073 175.476 175.328 0.126 0.000 1.018 352 H CA -0.653 55.427 56.048 0.054 0.000 1.175 352 H CB -0.202 29.547 29.762 -0.022 0.000 1.485 352 H HN 0.332 nan 8.280 nan 0.000 0.543 353 F N 2.198 122.203 119.950 0.091 0.000 2.623 353 F HA -0.115 4.412 4.527 -0.000 0.000 0.386 353 F C 0.921 176.777 175.800 0.093 0.000 1.068 353 F CA -0.382 57.678 58.000 0.101 0.000 1.265 353 F CB 0.351 39.387 39.000 0.060 0.000 1.026 353 F HN 0.142 nan 8.300 nan 0.000 0.568 354 C N 8.975 127.985 119.300 -0.483 0.000 2.298 354 C HA -0.079 4.381 4.460 -0.000 0.000 0.395 354 C C 1.920 176.761 174.990 -0.249 0.000 1.526 354 C CA 0.023 58.844 59.018 -0.329 0.000 1.458 354 C CB -1.871 25.695 27.740 -0.292 0.000 2.506 354 C HN 0.971 nan 8.230 nan 0.000 0.604 355 I N 4.621 125.099 120.570 -0.153 0.000 2.928 355 I HA 0.120 4.290 4.170 -0.000 0.000 0.266 355 I C 1.915 177.860 176.117 -0.288 0.000 1.234 355 I CA 1.491 62.700 61.300 -0.152 0.000 1.483 355 I CB -0.096 37.787 38.000 -0.195 0.000 1.097 355 I HN 0.892 nan 8.210 nan 0.000 0.455 356 G N -0.360 108.230 108.800 -0.350 0.000 3.284 356 G HA2 0.177 4.137 3.960 -0.000 0.000 0.236 356 G HA3 0.177 4.137 3.960 -0.000 0.000 0.236 356 G C 1.497 176.266 174.900 -0.217 0.000 1.158 356 G CA 0.465 45.391 45.100 -0.291 0.000 0.774 356 G HN 0.442 nan 8.290 nan 0.000 0.545 357 A N 2.152 124.710 122.820 -0.437 0.000 1.892 357 A HA -0.034 4.286 4.320 -0.000 0.000 0.218 357 A C 0.621 178.004 177.584 -0.336 0.000 1.188 357 A CA 1.842 53.371 52.037 -0.846 0.000 0.631 357 A CB -1.057 17.219 19.000 -1.206 0.000 0.822 357 A HN 0.349 nan 8.150 nan 0.000 0.447 358 P HA -0.114 nan 4.420 nan 0.000 0.217 358 P C 1.581 178.898 177.300 0.030 0.000 1.150 358 P CA 0.798 63.891 63.100 -0.012 0.000 0.832 358 P CB -0.036 31.685 31.700 0.035 0.000 0.787 359 L N -0.663 120.593 121.223 0.055 0.000 2.156 359 L HA 0.042 4.382 4.340 -0.000 0.000 0.208 359 L C 2.165 179.075 176.870 0.067 0.000 1.095 359 L CA 1.588 56.477 54.840 0.080 0.000 0.770 359 L CB -1.465 40.683 42.059 0.148 0.000 0.914 359 L HN -0.144 nan 8.230 nan 0.000 0.439 360 A N -0.291 122.571 122.820 0.070 0.000 1.877 360 A HA -0.200 4.120 4.320 -0.000 0.000 0.216 360 A C 2.415 180.090 177.584 0.152 0.000 1.186 360 A CA 1.675 53.793 52.037 0.135 0.000 0.620 360 A CB -0.511 18.651 19.000 0.270 0.000 0.822 360 A HN 0.458 nan 8.150 nan 0.000 0.443 361 R N -1.157 119.438 120.500 0.158 0.000 2.096 361 R HA -0.124 4.216 4.340 -0.000 0.000 0.235 361 R C 2.124 178.482 176.300 0.096 0.000 1.127 361 R CA 1.434 57.626 56.100 0.154 0.000 0.968 361 R CB -0.575 29.812 30.300 0.145 0.000 0.861 361 R HN 0.499 nan 8.270 nan 0.000 0.440 362 L N 1.581 122.847 121.223 0.071 0.000 1.994 362 L HA -0.161 4.179 4.340 -0.000 0.000 0.208 362 L C 1.838 178.732 176.870 0.041 0.000 1.071 362 L CA 1.846 56.716 54.840 0.049 0.000 0.745 362 L CB -0.344 41.737 42.059 0.038 0.000 0.892 362 L HN 0.110 nan 8.230 nan 0.000 0.431 363 E N -0.383 119.841 120.200 0.040 0.000 2.058 363 E HA -0.246 4.104 4.350 -0.000 0.000 0.194 363 E C 2.149 178.768 176.600 0.032 0.000 0.997 363 E CA 1.217 57.632 56.400 0.024 0.000 0.801 363 E CB -0.366 29.342 29.700 0.014 0.000 0.746 363 E HN 0.669 nan 8.360 nan 0.000 0.450 364 A N 1.523 124.376 122.820 0.054 0.000 1.877 364 A HA -0.209 4.111 4.320 -0.000 0.000 0.216 364 A C 2.093 179.708 177.584 0.052 0.000 1.186 364 A CA 1.483 53.556 52.037 0.060 0.000 0.620 364 A CB -0.440 18.612 19.000 0.085 0.000 0.822 364 A HN 0.073 nan 8.150 nan 0.000 0.443 365 R N -0.500 120.033 120.500 0.055 0.000 2.083 365 R HA -0.070 4.270 4.340 -0.000 0.000 0.237 365 R C 1.998 178.315 176.300 0.029 0.000 1.137 365 R CA 1.771 57.898 56.100 0.045 0.000 0.951 365 R CB -0.501 29.826 30.300 0.047 0.000 0.851 365 R HN 0.579 nan 8.270 nan 0.000 0.434 366 I N 0.261 120.844 120.570 0.022 0.000 2.394 366 I HA -0.203 3.967 4.170 -0.000 0.000 0.251 366 I C 2.474 178.593 176.117 0.003 0.000 1.136 366 I CA 0.974 62.280 61.300 0.009 0.000 1.425 366 I CB -0.325 37.677 38.000 0.004 0.000 1.079 366 I HN 0.223 nan 8.210 nan 0.000 0.425 367 A N 0.439 123.263 122.820 0.008 0.000 1.897 367 A HA -0.088 4.232 4.320 -0.000 0.000 0.215 367 A C 2.400 179.988 177.584 0.007 0.000 1.181 367 A CA 1.179 53.218 52.037 0.003 0.000 0.620 367 A CB -0.748 18.257 19.000 0.009 0.000 0.821 367 A HN 0.205 nan 8.150 nan 0.000 0.443 368 V N 0.257 120.184 119.914 0.021 0.000 2.358 368 V HA -0.230 3.890 4.120 -0.000 0.000 0.246 368 V C 2.651 178.754 176.094 0.015 0.000 1.047 368 V CA 2.224 64.540 62.300 0.027 0.000 1.035 368 V CB -0.800 31.049 31.823 0.044 0.000 0.658 368 V HN 0.690 nan 8.190 nan 0.000 0.452 369 R N 0.409 120.916 120.500 0.011 0.000 2.092 369 R HA -0.114 4.226 4.340 -0.000 0.000 0.231 369 R C 2.246 178.539 176.300 -0.011 0.000 1.119 369 R CA 1.548 57.650 56.100 0.003 0.000 0.970 369 R CB -0.387 29.915 30.300 0.004 0.000 0.864 369 R HN 0.461 nan 8.270 nan 0.000 0.440 370 A N 1.046 123.855 122.820 -0.018 0.000 1.930 370 A HA -0.088 4.232 4.320 -0.000 0.000 0.217 370 A C 2.149 179.700 177.584 -0.056 0.000 1.175 370 A CA 1.051 53.066 52.037 -0.036 0.000 0.627 370 A CB -0.384 18.592 19.000 -0.039 0.000 0.815 370 A HN 0.345 nan 8.150 nan 0.000 0.443 371 L N -0.652 120.542 121.223 -0.047 0.000 2.109 371 L HA -0.088 4.252 4.340 -0.000 0.000 0.207 371 L C 2.429 179.270 176.870 -0.048 0.000 1.086 371 L CA 0.726 55.527 54.840 -0.065 0.000 0.760 371 L CB -0.400 41.638 42.059 -0.036 0.000 0.910 371 L HN 0.351 nan 8.230 nan 0.000 0.437 372 L N -0.571 120.641 121.223 -0.018 0.000 2.156 372 L HA -0.145 4.195 4.340 -0.000 0.000 0.208 372 L C 2.071 178.934 176.870 -0.013 0.000 1.095 372 L CA 1.216 56.053 54.840 -0.004 0.000 0.770 372 L CB -0.410 41.655 42.059 0.010 0.000 0.914 372 L HN 0.341 nan 8.230 nan 0.000 0.439 373 E N -0.186 120.000 120.200 -0.024 0.000 2.478 373 E HA -0.010 4.340 4.350 -0.000 0.000 0.194 373 E C 1.465 178.041 176.600 -0.040 0.000 1.045 373 E CA 0.152 56.538 56.400 -0.024 0.000 0.868 373 E CB 0.385 30.073 29.700 -0.020 0.000 0.885 373 E HN 0.460 nan 8.360 nan 0.000 0.505 374 R N -0.614 119.843 120.500 -0.070 0.000 2.521 374 R HA 0.229 4.569 4.340 -0.000 0.000 0.289 374 R C -0.072 176.130 176.300 -0.164 0.000 0.936 374 R CA -0.059 55.979 56.100 -0.105 0.000 1.089 374 R CB 0.933 31.158 30.300 -0.125 0.000 1.348 374 R HN -0.045 nan 8.270 nan 0.000 0.536 375 C N 3.997 123.208 119.300 -0.148 0.000 2.242 375 C HA 0.350 4.810 4.460 -0.000 0.000 0.317 375 C C -2.207 172.790 174.990 0.011 0.000 1.087 375 C CA -1.899 57.020 59.018 -0.166 0.000 1.535 375 C CB 0.630 28.249 27.740 -0.201 0.000 1.893 375 C HN 0.173 nan 8.230 nan 0.000 0.426 376 P HA 0.122 nan 4.420 nan 0.000 0.271 376 P C -0.094 177.291 177.300 0.141 0.000 1.220 376 P CA 0.959 64.114 63.100 0.091 0.000 0.768 376 P CB 0.579 32.333 31.700 0.090 0.000 0.848 377 D N -0.614 119.847 120.400 0.102 0.000 2.772 377 D HA -0.175 4.465 4.640 -0.000 0.000 0.233 377 D C 0.346 176.729 176.300 0.138 0.000 1.143 377 D CA 0.572 54.633 54.000 0.102 0.000 0.700 377 D CB -1.245 39.610 40.800 0.091 0.000 1.076 377 D HN 0.328 nan 8.370 nan 0.000 0.430 378 L N 0.294 121.604 121.223 0.145 0.000 2.525 378 L HA 0.336 4.676 4.340 -0.000 0.000 0.278 378 L C 0.262 177.212 176.870 0.134 0.000 1.218 378 L CA 0.646 55.592 54.840 0.175 0.000 0.878 378 L CB 0.611 42.743 42.059 0.122 0.000 1.127 378 L HN 0.240 nan 8.230 nan 0.000 0.492 379 A N 5.214 128.120 122.820 0.143 0.000 2.594 379 A HA 0.452 4.772 4.320 -0.000 0.000 0.295 379 A C -1.223 176.421 177.584 0.099 0.000 1.071 379 A CA -0.756 51.342 52.037 0.100 0.000 0.685 379 A CB 0.789 19.832 19.000 0.072 0.000 1.285 379 A HN 0.763 nan 8.150 nan 0.000 0.405 380 L N 1.099 122.375 121.223 0.088 0.000 2.462 380 L HA 0.144 4.484 4.340 -0.000 0.000 0.272 380 L C 0.066 176.969 176.870 0.055 0.000 1.166 380 L CA 0.167 55.060 54.840 0.089 0.000 0.880 380 L CB 0.749 42.876 42.059 0.114 0.000 1.142 380 L HN 0.924 nan 8.230 nan 0.000 0.473 381 D N 3.220 123.644 120.400 0.039 0.000 2.434 381 D HA 0.226 4.866 4.640 -0.000 0.000 0.232 381 D C -0.518 175.780 176.300 -0.004 0.000 1.166 381 D CA 0.236 54.240 54.000 0.008 0.000 0.830 381 D CB 0.260 41.054 40.800 -0.009 0.000 0.960 381 D HN 0.170 nan 8.370 nan 0.000 0.497 382 V N -0.608 119.310 119.914 0.007 0.000 3.278 382 V HA 0.369 4.488 4.120 -0.000 0.000 0.288 382 V C -1.071 175.034 176.094 0.018 0.000 1.514 382 V CA -0.586 61.712 62.300 -0.003 0.000 1.051 382 V CB 1.902 33.708 31.823 -0.028 0.000 1.163 382 V HN 0.160 nan 8.190 nan 0.000 0.458 383 S N 3.685 119.394 115.700 0.017 0.000 2.584 383 S HA 0.499 4.969 4.470 -0.000 0.000 0.273 383 S C -1.972 172.665 174.600 0.061 0.000 1.311 383 S CA -0.586 57.637 58.200 0.039 0.000 1.034 383 S CB 1.301 64.518 63.200 0.028 0.000 0.939 383 S HN 0.634 nan 8.310 nan 0.000 0.513 384 P HA -0.044 nan 4.420 nan 0.000 0.216 384 P C 1.652 179.031 177.300 0.132 0.000 1.150 384 P CA 1.696 64.917 63.100 0.201 0.000 0.843 384 P CB -0.391 31.471 31.700 0.270 0.000 0.787 385 G N -0.424 108.432 108.800 0.092 0.000 2.471 385 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.219 385 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.219 385 G C 1.321 176.245 174.900 0.041 0.000 1.125 385 G CA 0.421 45.563 45.100 0.070 0.000 0.775 385 G HN 0.321 nan 8.290 nan 0.000 0.548 386 E N -0.466 119.741 120.200 0.013 0.000 2.435 386 E HA 0.166 4.516 4.350 -0.000 0.000 0.195 386 E C 0.604 177.163 176.600 -0.068 0.000 1.029 386 E CA -0.450 55.937 56.400 -0.021 0.000 0.865 386 E CB 0.112 29.796 29.700 -0.027 0.000 0.833 386 E HN 0.339 nan 8.360 nan 0.000 0.510 387 L N 1.424 122.588 121.223 -0.097 0.000 2.461 387 L HA 0.071 4.411 4.340 -0.000 0.000 0.272 387 L C -0.058 176.662 176.870 -0.250 0.000 1.197 387 L CA -0.189 54.497 54.840 -0.257 0.000 0.836 387 L CB 0.683 42.489 42.059 -0.422 0.000 1.105 387 L HN -0.134 nan 8.230 nan 0.000 0.477 388 V N 1.402 121.070 119.914 -0.409 0.000 2.409 388 V HA 0.305 4.425 4.120 -0.000 0.000 0.291 388 V C -0.715 175.047 176.094 -0.553 0.000 1.020 388 V CA -0.512 61.594 62.300 -0.323 0.000 0.848 388 V CB 1.363 33.035 31.823 -0.252 0.000 0.990 388 V HN 0.557 nan 8.190 nan 0.000 0.430 389 W N 3.033 124.177 121.300 -0.261 0.000 2.512 389 W HA 0.602 5.262 4.660 -0.000 0.000 0.335 389 W C -0.162 176.216 176.519 -0.235 0.000 1.088 389 W CA -0.744 56.437 57.345 -0.272 0.000 1.236 389 W CB 0.627 29.986 29.460 -0.168 0.000 1.307 389 W HN 0.466 nan 8.180 nan 0.000 0.567 390 Y N 2.668 123.084 120.300 0.193 0.000 2.346 390 Y HA 0.057 4.607 4.550 0.000 0.000 0.330 390 Y C -1.014 174.961 175.900 0.124 0.000 1.178 390 Y CA -1.525 56.647 58.100 0.121 0.000 1.331 390 Y CB 0.407 38.924 38.460 0.095 0.000 1.253 390 Y HN 0.270 nan 8.280 nan 0.000 0.529 391 P HA -0.188 nan 4.420 nan 0.000 0.215 391 P C -0.015 177.399 177.300 0.190 0.000 1.157 391 P CA 1.001 64.223 63.100 0.203 0.000 0.863 391 P CB 0.103 31.912 31.700 0.183 0.000 0.787 392 N N 0.691 119.500 118.700 0.182 0.000 2.217 392 N HA -0.093 4.647 4.740 -0.000 0.000 0.268 392 N C -1.191 174.415 175.510 0.161 0.000 1.290 392 N CA -0.225 52.921 53.050 0.160 0.000 0.831 392 N CB 0.496 39.061 38.487 0.130 0.000 1.057 392 N HN 0.080 nan 8.380 nan 0.000 0.481 393 P HA -0.121 nan 4.420 nan 0.000 0.221 393 P C 1.254 178.637 177.300 0.139 0.000 1.150 393 P CA 1.198 64.418 63.100 0.200 0.000 0.800 393 P CB 0.266 32.116 31.700 0.251 0.000 0.787 394 M N -1.506 118.168 119.600 0.122 0.000 2.447 394 M HA 0.061 4.541 4.480 -0.000 0.000 0.264 394 M C 0.744 177.091 176.300 0.078 0.000 1.095 394 M CA 0.815 56.167 55.300 0.087 0.000 1.125 394 M CB 0.175 32.822 32.600 0.077 0.000 1.389 394 M HN -0.173 nan 8.290 nan 0.000 0.459 395 I N 0.368 121.000 120.570 0.103 0.000 2.433 395 I HA 0.273 4.443 4.170 -0.000 0.000 0.292 395 I C -0.220 175.988 176.117 0.152 0.000 1.001 395 I CA -0.477 60.897 61.300 0.124 0.000 1.119 395 I CB 1.738 39.822 38.000 0.140 0.000 1.289 395 I HN 0.010 nan 8.210 nan 0.000 0.438 396 R N 4.646 125.242 120.500 0.160 0.000 2.272 396 R HA 0.691 5.031 4.340 -0.000 0.000 0.323 396 R C -0.693 175.815 176.300 0.347 0.000 1.002 396 R CA -0.324 55.902 56.100 0.210 0.000 0.900 396 R CB 0.802 31.172 30.300 0.116 0.000 1.151 396 R HN 0.805 nan 8.270 nan 0.000 0.507 397 G N 3.007 112.074 108.800 0.445 0.000 2.704 397 G HA2 0.438 4.398 3.960 -0.000 0.000 0.293 397 G HA3 0.438 4.398 3.960 -0.000 0.000 0.293 397 G C -1.520 173.382 174.900 0.002 0.000 1.421 397 G CA -0.821 44.458 45.100 0.299 0.000 0.870 397 G HN 0.408 nan 8.290 nan 0.000 0.492 398 L N 0.739 121.740 121.223 -0.369 0.000 2.421 398 L HA 0.432 4.772 4.340 -0.000 0.000 0.263 398 L C 1.875 178.401 176.870 -0.573 0.000 1.122 398 L CA -0.751 53.630 54.840 -0.765 0.000 0.804 398 L CB 1.831 43.390 42.059 -0.833 0.000 1.150 398 L HN 0.758 nan 8.230 nan 0.000 0.457 399 K N 1.273 121.243 120.400 -0.715 0.000 2.137 399 K HA 0.207 4.527 4.320 -0.000 0.000 0.202 399 K C 0.134 176.580 176.600 -0.258 0.000 1.052 399 K CA 0.906 56.870 56.287 -0.538 0.000 0.961 399 K CB 0.367 32.560 32.500 -0.512 0.000 0.741 399 K HN 0.714 nan 8.250 nan 0.000 0.452 400 A N 0.565 123.208 122.820 -0.295 0.000 2.605 400 A HA 0.504 4.824 4.320 -0.000 0.000 0.294 400 A C -2.105 175.347 177.584 -0.219 0.000 1.062 400 A CA -0.755 51.168 52.037 -0.189 0.000 0.682 400 A CB 1.451 20.366 19.000 -0.142 0.000 1.278 400 A HN 0.125 nan 8.150 nan 0.000 0.410 401 L N 2.081 123.224 121.223 -0.133 0.000 2.462 401 L HA 0.540 4.879 4.340 -0.000 0.000 0.255 401 L C -2.780 174.070 176.870 -0.033 0.000 1.076 401 L CA -1.671 53.102 54.840 -0.112 0.000 0.920 401 L CB 1.337 43.347 42.059 -0.082 0.000 1.214 401 L HN 0.330 nan 8.230 nan 0.000 0.472 402 P HA 0.313 nan 4.420 nan 0.000 0.271 402 P C -0.719 176.604 177.300 0.039 0.000 1.226 402 P CA 0.270 63.369 63.100 -0.001 0.000 0.765 402 P CB 0.545 32.228 31.700 -0.028 0.000 0.835 403 I N 0.744 121.364 120.570 0.083 0.000 3.074 403 I HA 0.843 5.013 4.170 -0.000 0.000 0.310 403 I C -0.617 175.579 176.117 0.132 0.000 1.153 403 I CA -1.619 59.763 61.300 0.137 0.000 0.993 403 I CB 2.866 40.990 38.000 0.207 0.000 1.237 403 I HN 0.283 nan 8.210 nan 0.000 0.443 404 R N 1.646 122.235 120.500 0.149 0.000 2.781 404 R HA 0.829 5.169 4.340 -0.000 0.000 0.269 404 R C -2.250 174.168 176.300 0.197 0.000 1.025 404 R CA -0.723 55.355 56.100 -0.037 0.000 0.914 404 R CB 1.474 31.687 30.300 -0.145 0.000 1.236 404 R HN 0.957 nan 8.270 nan 0.000 0.465 405 W N -2.409 118.897 121.300 0.010 0.000 2.959 405 W HA 0.673 5.333 4.660 0.000 0.000 0.358 405 W C -0.987 175.537 176.519 0.009 0.000 1.228 405 W CA -1.056 56.295 57.345 0.011 0.000 1.183 405 W CB 0.510 29.978 29.460 0.013 0.000 1.467 405 W HN 0.826 nan 8.180 nan 0.000 0.578 406 R N 0.623 121.255 120.500 0.220 0.000 2.387 406 R HA 0.760 5.100 4.340 -0.000 0.000 0.321 406 R C -0.022 176.372 176.300 0.158 0.000 1.174 406 R CA 0.861 57.027 56.100 0.110 0.000 1.002 406 R CB -1.168 29.198 30.300 0.111 0.000 1.028 406 R HN 1.612 nan 8.270 nan 0.000 0.482 407 R N 0.000 120.507 120.500 0.011 0.000 2.786 407 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 407 R CA 0.000 nan 56.100 nan 0.000 0.921 407 R CB 0.000 nan 30.300 nan 0.000 0.687 407 R HN 0.000 nan 8.270 nan 0.000 0.535