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 1hde_1_A DATA FIRST_RESID 1 DATA SEQUENCE MINAIRTPDQ RFSNLDQYPF SPNYLDDLPG YPGLRAHYLD EGNSDAEDVF DATA SEQUENCE LCLHGEPTWS YLYRKMIPVF AESGARVIAP DFFGFGKSDK PVDEEDYTFE DATA SEQUENCE FHRNFLLALI ERLDLRNITL VVQDWGGFLG LTLPMADPSR FKRLIIMNAC DATA SEQUENCE LMTDPVTQPA FSAFVTQPAD GWTAWKYDLV TPSDLRLDQF MKRWAPTLTE DATA SEQUENCE AEASAYAAPF PDTSYQAGVR KFPKMVAQRD QACIDISTEA ISFWQNDWNG DATA SEQUENCE QTFMAIGMKD KLLGPDVMYP MKALINGCPE PLEIADAGHF VQEFGEQVAR DATA SEQUENCE EALKHFAETE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.245 176.300 -0.091 0.000 1.140 1 M CA 0.000 55.259 55.300 -0.069 0.000 0.988 1 M CB 0.000 32.565 32.600 -0.058 0.000 1.302 2 I N 1.945 122.451 120.570 -0.106 0.000 2.321 2 I HA 0.284 4.932 4.170 0.796 0.000 0.291 2 I C -0.092 175.943 176.117 -0.138 0.000 0.998 2 I CA -0.486 60.724 61.300 -0.149 0.000 1.227 2 I CB 1.313 39.203 38.000 -0.184 0.000 1.368 2 I HN 0.460 nan 8.210 nan 0.000 0.466 3 N N 6.040 124.657 118.700 -0.139 0.000 2.411 3 N HA 0.435 5.652 4.740 0.796 0.000 0.259 3 N C -1.045 174.385 175.510 -0.134 0.000 1.103 3 N CA 0.016 52.995 53.050 -0.119 0.000 0.954 3 N CB 1.026 39.450 38.487 -0.106 0.000 1.085 3 N HN 0.744 nan 8.380 nan 0.000 0.485 4 A N 3.508 126.259 122.820 -0.114 0.000 2.435 4 A HA 0.625 5.422 4.320 0.796 0.000 0.304 4 A C -0.522 177.009 177.584 -0.088 0.000 1.064 4 A CA -0.728 51.249 52.037 -0.101 0.000 0.727 4 A CB 0.866 19.812 19.000 -0.089 0.000 1.284 4 A HN 0.629 nan 8.150 nan 0.000 0.415 5 I N -1.229 119.278 120.570 -0.105 0.000 2.822 5 I HA 0.813 5.460 4.170 0.796 0.000 0.312 5 I C 0.140 176.259 176.117 0.003 0.000 1.011 5 I CA -1.027 60.200 61.300 -0.122 0.000 1.105 5 I CB 1.234 39.017 38.000 -0.362 0.000 1.291 5 I HN 0.697 nan 8.210 nan 0.000 0.474 6 R N 1.109 121.651 120.500 0.071 0.000 2.534 6 R HA 0.586 5.403 4.340 0.796 0.000 0.301 6 R C -1.068 175.391 176.300 0.265 0.000 0.961 6 R CA -0.437 55.754 56.100 0.151 0.000 0.871 6 R CB 1.471 31.822 30.300 0.085 0.000 1.170 6 R HN 0.875 nan 8.270 nan 0.000 0.446 7 T N 6.459 121.161 114.554 0.247 0.000 2.870 7 T HA 0.166 4.994 4.350 0.796 0.000 0.300 7 T C -2.200 172.532 174.700 0.053 0.000 0.989 7 T CA -0.821 61.335 62.100 0.094 0.000 1.139 7 T CB 0.780 69.609 68.868 -0.064 0.000 0.920 7 T HN 0.490 nan 8.240 nan 0.000 0.537 8 P HA 0.031 nan 4.420 nan 0.000 0.261 8 P C 0.440 177.720 177.300 -0.034 0.000 1.183 8 P CA -0.080 62.997 63.100 -0.039 0.000 0.761 8 P CB 0.660 32.310 31.700 -0.082 0.000 0.785 9 D N 2.471 122.913 120.400 0.069 0.000 2.228 9 D HA -0.197 4.920 4.640 0.796 0.000 0.203 9 D C 1.713 178.060 176.300 0.078 0.000 0.988 9 D CA 1.361 55.464 54.000 0.171 0.000 0.864 9 D CB -0.081 40.800 40.800 0.136 0.000 0.928 9 D HN 0.470 nan 8.370 nan 0.000 0.469 10 Q N 1.112 120.898 119.800 -0.023 0.000 2.173 10 Q HA -0.186 4.632 4.340 0.796 0.000 0.208 10 Q C 1.807 177.713 176.000 -0.157 0.000 0.989 10 Q CA 1.439 57.203 55.803 -0.065 0.000 0.872 10 Q CB -0.061 28.633 28.738 -0.075 0.000 0.909 10 Q HN 0.083 nan 8.270 nan 0.000 0.420 11 R N -0.710 119.585 120.500 -0.342 0.000 2.193 11 R HA -0.098 4.720 4.340 0.796 0.000 0.229 11 R C 0.942 176.872 176.300 -0.616 0.000 1.110 11 R CA 0.936 56.687 56.100 -0.582 0.000 0.988 11 R CB -0.279 29.455 30.300 -0.943 0.000 0.871 11 R HN 0.347 nan 8.270 nan 0.000 0.458 12 F N -0.182 119.701 119.950 -0.113 0.000 2.639 12 F HA 0.239 5.243 4.527 0.794 0.000 0.300 12 F C 1.880 177.679 175.800 -0.002 0.000 1.109 12 F CA -0.246 57.716 58.000 -0.063 0.000 1.335 12 F CB 0.148 39.116 39.000 -0.053 0.000 1.014 12 F HN -0.179 nan 8.300 nan 0.000 0.537 13 S N 0.145 115.892 115.700 0.079 0.000 2.382 13 S HA -0.207 4.741 4.470 0.796 0.000 0.228 13 S C 1.152 175.793 174.600 0.068 0.000 1.027 13 S CA 1.333 59.573 58.200 0.068 0.000 0.991 13 S CB -0.332 62.876 63.200 0.015 0.000 0.823 13 S HN 0.485 nan 8.310 nan 0.000 0.469 14 N N 0.420 119.152 118.700 0.052 0.000 2.672 14 N HA 0.293 5.511 4.740 0.796 0.000 0.295 14 N C -1.364 174.181 175.510 0.057 0.000 1.924 14 N CA -0.110 52.968 53.050 0.047 0.000 0.851 14 N CB 0.313 38.810 38.487 0.018 0.000 1.281 14 N HN 0.108 nan 8.380 nan 0.000 0.494 15 L N 0.884 122.172 121.223 0.109 0.000 2.360 15 L HA 0.200 5.018 4.340 0.796 0.000 0.276 15 L C 0.436 177.405 176.870 0.165 0.000 1.121 15 L CA -0.367 54.549 54.840 0.127 0.000 0.845 15 L CB 0.437 42.614 42.059 0.197 0.000 1.143 15 L HN 0.386 nan 8.230 nan 0.000 0.452 16 D N 3.216 123.706 120.400 0.149 0.000 2.487 16 D HA -0.016 5.102 4.640 0.796 0.000 0.243 16 D C 0.411 176.809 176.300 0.165 0.000 1.154 16 D CA 0.523 54.603 54.000 0.135 0.000 0.876 16 D CB 0.456 41.328 40.800 0.120 0.000 1.161 16 D HN 0.546 nan 8.370 nan 0.000 0.478 17 Q N 1.294 121.117 119.800 0.039 0.000 2.468 17 Q HA -0.302 4.516 4.340 0.796 0.000 0.256 17 Q C -0.872 175.077 176.000 -0.084 0.000 0.984 17 Q CA 0.668 56.436 55.803 -0.057 0.000 1.110 17 Q CB -1.657 27.029 28.738 -0.086 0.000 1.527 17 Q HN 0.632 nan 8.270 nan 0.000 0.535 18 Y N 0.795 120.996 120.300 -0.165 0.000 2.836 18 Y HA 0.274 5.301 4.550 0.794 0.000 0.359 18 Y C -1.718 173.937 175.900 -0.409 0.000 1.060 18 Y CA -2.097 55.858 58.100 -0.241 0.000 1.161 18 Y CB 1.053 39.588 38.460 0.125 0.000 1.225 18 Y HN -0.021 nan 8.280 nan 0.000 0.621 19 P HA 0.042 nan 4.420 nan 0.000 0.257 19 P C -0.636 176.300 177.300 -0.606 0.000 1.281 19 P CA 0.147 62.889 63.100 -0.595 0.000 0.826 19 P CB -0.165 31.228 31.700 -0.511 0.000 1.237 20 F N 1.100 120.838 119.950 -0.354 0.000 2.472 20 F HA 0.210 5.215 4.527 0.797 0.000 0.364 20 F C 1.545 177.223 175.800 -0.202 0.000 1.090 20 F CA -0.733 57.053 58.000 -0.357 0.000 1.188 20 F CB 0.037 38.675 39.000 -0.603 0.000 1.105 20 F HN -0.173 nan 8.300 nan 0.000 0.536 21 S N 5.523 121.242 115.700 0.033 0.000 2.549 21 S HA 0.268 5.215 4.470 0.796 0.000 0.283 21 S C -2.216 172.379 174.600 -0.009 0.000 1.320 21 S CA -1.299 56.911 58.200 0.017 0.000 1.058 21 S CB 0.169 63.368 63.200 -0.001 0.000 0.882 21 S HN 0.420 nan 8.310 nan 0.000 0.498 22 P HA 0.323 nan 4.420 nan 0.000 0.280 22 P C -1.374 175.688 177.300 -0.396 0.000 1.244 22 P CA -0.578 62.460 63.100 -0.103 0.000 0.784 22 P CB 0.480 32.129 31.700 -0.085 0.000 0.913 23 N N 1.870 120.138 118.700 -0.719 0.000 2.272 23 N HA 0.535 5.753 4.740 0.796 0.000 0.305 23 N C -1.024 173.965 175.510 -0.868 0.000 1.103 23 N CA -0.386 52.173 53.050 -0.818 0.000 0.791 23 N CB 1.186 38.919 38.487 -1.256 0.000 1.356 23 N HN 0.360 nan 8.380 nan 0.000 0.486 24 Y N 0.110 120.372 120.300 -0.064 0.000 2.605 24 Y HA 0.656 5.681 4.550 0.791 0.000 0.343 24 Y C -0.784 175.271 175.900 0.259 0.000 1.036 24 Y CA -0.958 57.230 58.100 0.147 0.000 1.065 24 Y CB 1.755 40.307 38.460 0.154 0.000 1.288 24 Y HN 0.155 nan 8.280 nan 0.000 0.481 25 L N 1.661 123.165 121.223 0.469 0.000 2.528 25 L HA 0.318 5.136 4.340 0.796 0.000 0.267 25 L C -1.156 175.911 176.870 0.330 0.000 0.961 25 L CA -0.555 54.495 54.840 0.350 0.000 0.866 25 L CB 1.838 44.076 42.059 0.299 0.000 1.248 25 L HN 0.783 nan 8.230 nan 0.000 0.404 26 D N -1.347 119.206 120.400 0.255 0.000 2.462 26 D HA 0.073 5.191 4.640 0.796 0.000 0.221 26 D C 0.133 176.547 176.300 0.190 0.000 1.173 26 D CA -0.268 53.867 54.000 0.227 0.000 0.831 26 D CB 0.389 41.284 40.800 0.157 0.000 1.001 26 D HN 0.432 nan 8.370 nan 0.000 0.499 27 D N 0.236 120.755 120.400 0.197 0.000 2.740 27 D HA 0.104 5.222 4.640 0.796 0.000 0.301 27 D C -0.134 176.270 176.300 0.173 0.000 1.408 27 D CA -0.422 53.672 54.000 0.157 0.000 0.808 27 D CB -0.437 40.434 40.800 0.118 0.000 1.128 27 D HN 0.190 nan 8.370 nan 0.000 0.465 28 L N 0.605 121.978 121.223 0.249 0.000 2.349 28 L HA 0.349 5.167 4.340 0.796 0.000 0.275 28 L C -2.075 174.964 176.870 0.283 0.000 1.115 28 L CA -1.821 53.187 54.840 0.281 0.000 0.820 28 L CB 0.719 43.015 42.059 0.394 0.000 1.135 28 L HN -0.286 nan 8.230 nan 0.000 0.445 29 P HA 0.064 nan 4.420 nan 0.000 0.264 29 P C 0.675 178.024 177.300 0.083 0.000 1.229 29 P CA 0.645 63.821 63.100 0.127 0.000 0.780 29 P CB 0.604 32.361 31.700 0.096 0.000 0.808 30 G N 2.586 111.340 108.800 -0.078 0.000 2.213 30 G HA2 -0.262 4.175 3.960 0.796 0.000 0.226 30 G HA3 -0.262 4.175 3.960 0.796 0.000 0.226 30 G C -0.081 174.394 174.900 -0.709 0.000 0.992 30 G CA -0.434 44.422 45.100 -0.407 0.000 0.632 30 G HN 0.473 nan 8.290 nan 0.000 0.511 31 Y N 1.664 122.009 120.300 0.074 0.000 2.480 31 Y HA 0.401 5.353 4.550 0.670 0.000 0.356 31 Y C -2.122 173.795 175.900 0.028 0.000 0.922 31 Y CA -1.956 56.166 58.100 0.036 0.000 1.146 31 Y CB 1.132 39.681 38.460 0.147 0.000 1.185 31 Y HN 0.120 nan 8.280 nan 0.000 0.624 32 P HA 0.167 nan 4.420 nan 0.000 0.271 32 P C 1.000 178.317 177.300 0.028 0.000 1.220 32 P CA 1.156 64.287 63.100 0.052 0.000 0.768 32 P CB 1.812 33.522 31.700 0.017 0.000 0.848 33 G N 2.984 111.813 108.800 0.048 0.000 2.284 33 G HA2 -0.252 4.185 3.960 0.796 0.000 0.247 33 G HA3 -0.252 4.185 3.960 0.796 0.000 0.247 33 G C 0.094 175.011 174.900 0.028 0.000 1.012 33 G CA -0.129 44.987 45.100 0.027 0.000 0.618 33 G HN 0.510 nan 8.290 nan 0.000 0.521 34 L N 1.533 122.761 121.223 0.008 0.000 2.369 34 L HA 0.373 5.191 4.340 0.796 0.000 0.279 34 L C 1.103 178.126 176.870 0.254 0.000 1.108 34 L CA -0.476 54.336 54.840 -0.047 0.000 0.852 34 L CB 0.921 42.657 42.059 -0.539 0.000 1.169 34 L HN 0.256 nan 8.230 nan 0.000 0.452 35 R N 3.393 124.083 120.500 0.317 0.000 2.221 35 R HA 0.540 5.357 4.340 0.796 0.000 0.327 35 R C -0.480 176.177 176.300 0.595 0.000 1.033 35 R CA -0.385 55.953 56.100 0.396 0.000 0.887 35 R CB 1.030 31.459 30.300 0.216 0.000 1.057 35 R HN 0.707 nan 8.270 nan 0.000 0.455 36 A N 4.694 127.842 122.820 0.547 0.000 2.292 36 A HA 0.213 5.011 4.320 0.796 0.000 0.319 36 A C -0.991 176.873 177.584 0.466 0.000 1.206 36 A CA -0.609 51.632 52.037 0.340 0.000 0.835 36 A CB 0.640 19.778 19.000 0.229 0.000 1.164 36 A HN 0.879 nan 8.150 nan 0.000 0.505 37 H N 2.544 121.796 119.070 0.304 0.000 2.489 37 H HA 0.562 5.594 4.556 0.793 0.000 0.322 37 H C -1.653 173.781 175.328 0.176 0.000 1.091 37 H CA -0.144 56.000 56.048 0.160 0.000 1.291 37 H CB 0.984 30.809 29.762 0.104 0.000 1.436 37 H HN 0.711 nan 8.280 nan 0.000 0.480 38 Y N 3.026 122.923 120.300 -0.672 0.000 2.534 38 Y HA 0.448 5.475 4.550 0.796 0.000 0.345 38 Y C -1.798 173.758 175.900 -0.573 0.000 1.031 38 Y CA -1.434 56.361 58.100 -0.509 0.000 1.022 38 Y CB 0.901 39.222 38.460 -0.231 0.000 1.292 38 Y HN 0.402 nan 8.280 nan 0.000 0.459 39 L N 3.067 124.096 121.223 -0.324 0.000 2.350 39 L HA 0.396 5.214 4.340 0.796 0.000 0.275 39 L C -0.610 176.184 176.870 -0.126 0.000 1.099 39 L CA -0.295 54.371 54.840 -0.289 0.000 0.808 39 L CB 0.991 42.901 42.059 -0.249 0.000 1.149 39 L HN 0.738 nan 8.230 nan 0.000 0.442 40 D N 2.191 122.500 120.400 -0.150 0.000 2.405 40 D HA 0.200 5.317 4.640 0.796 0.000 0.264 40 D C -0.558 175.708 176.300 -0.056 0.000 1.240 40 D CA -0.273 53.713 54.000 -0.025 0.000 0.893 40 D CB 0.708 41.546 40.800 0.064 0.000 1.198 40 D HN 0.344 nan 8.370 nan 0.000 0.514 41 E N 0.317 120.469 120.200 -0.081 0.000 2.239 41 E HA 0.676 5.503 4.350 0.796 0.000 0.261 41 E C 0.896 177.477 176.600 -0.032 0.000 1.016 41 E CA -0.569 55.789 56.400 -0.070 0.000 0.882 41 E CB 1.330 30.940 29.700 -0.149 0.000 1.190 41 E HN 0.560 nan 8.360 nan 0.000 0.415 42 G N 1.691 110.482 108.800 -0.015 0.000 2.782 42 G HA2 -0.279 4.158 3.960 0.796 0.000 0.228 42 G HA3 -0.279 4.158 3.960 0.796 0.000 0.228 42 G C -0.080 174.824 174.900 0.007 0.000 1.372 42 G CA -0.175 44.925 45.100 0.001 0.000 0.862 42 G HN 0.568 nan 8.290 nan 0.000 0.547 43 N N 0.193 118.901 118.700 0.013 0.000 2.434 43 N HA 0.285 5.503 4.740 0.796 0.000 0.268 43 N C 1.897 177.412 175.510 0.008 0.000 1.256 43 N CA 1.095 54.152 53.050 0.011 0.000 0.914 43 N CB 0.936 39.431 38.487 0.013 0.000 1.088 43 N HN 1.267 nan 8.380 nan 0.000 0.478 44 S N 1.987 117.690 115.700 0.005 0.000 2.442 44 S HA -0.092 4.855 4.470 0.796 0.000 0.236 44 S C 0.560 175.157 174.600 -0.004 0.000 1.007 44 S CA 0.854 59.056 58.200 0.003 0.000 0.965 44 S CB 0.038 63.242 63.200 0.006 0.000 0.773 44 S HN 0.643 nan 8.310 nan 0.000 0.504 45 D N 1.960 122.358 120.400 -0.003 0.000 2.358 45 D HA 0.395 5.512 4.640 0.796 0.000 0.224 45 D C 0.556 176.850 176.300 -0.009 0.000 1.123 45 D CA 0.191 54.186 54.000 -0.009 0.000 0.833 45 D CB 0.468 41.265 40.800 -0.006 0.000 0.946 45 D HN 0.559 nan 8.370 nan 0.000 0.505 46 A N 0.931 123.749 122.820 -0.004 0.000 2.483 46 A HA -0.014 4.784 4.320 0.796 0.000 0.238 46 A C 1.395 178.969 177.584 -0.016 0.000 1.070 46 A CA 0.004 52.042 52.037 0.001 0.000 0.770 46 A CB 0.726 19.739 19.000 0.021 0.000 1.008 46 A HN 0.059 nan 8.150 nan 0.000 0.497 47 E N 0.436 120.626 120.200 -0.017 0.000 2.072 47 E HA -0.122 4.705 4.350 0.796 0.000 0.191 47 E C -0.411 176.152 176.600 -0.062 0.000 0.985 47 E CA 1.016 57.393 56.400 -0.038 0.000 0.801 47 E CB 0.036 29.716 29.700 -0.033 0.000 0.750 47 E HN 0.702 nan 8.360 nan 0.000 0.452 48 D N 0.295 120.668 120.400 -0.045 0.000 2.177 48 D HA 0.234 5.351 4.640 0.796 0.000 0.247 48 D C -0.704 175.559 176.300 -0.061 0.000 1.063 48 D CA -0.258 53.686 54.000 -0.094 0.000 0.867 48 D CB 2.325 43.075 40.800 -0.082 0.000 1.168 48 D HN -0.233 nan 8.370 nan 0.000 0.445 49 V N 2.829 122.643 119.914 -0.167 0.000 2.444 49 V HA 0.291 4.888 4.120 0.796 0.000 0.294 49 V C -0.571 175.381 176.094 -0.236 0.000 1.022 49 V CA -0.803 61.427 62.300 -0.116 0.000 0.850 49 V CB 0.863 32.598 31.823 -0.147 0.000 0.992 49 V HN 0.325 nan 8.190 nan 0.000 0.426 50 F N 5.238 125.062 119.950 -0.210 0.000 2.390 50 F HA 0.450 5.454 4.527 0.794 0.000 0.361 50 F C 0.046 175.708 175.800 -0.230 0.000 1.124 50 F CA -0.577 57.250 58.000 -0.288 0.000 1.149 50 F CB 1.243 39.932 39.000 -0.519 0.000 1.160 50 F HN 0.313 nan 8.300 nan 0.000 0.501 51 L N 5.485 126.656 121.223 -0.088 0.000 2.282 51 L HA 0.388 5.206 4.340 0.796 0.000 0.287 51 L C -0.803 175.984 176.870 -0.138 0.000 1.075 51 L CA -0.165 54.609 54.840 -0.109 0.000 0.839 51 L CB -0.231 41.769 42.059 -0.098 0.000 1.219 51 L HN 0.623 nan 8.230 nan 0.000 0.434 52 C N 6.227 125.380 119.300 -0.244 0.000 2.246 52 C HA 0.422 5.360 4.460 0.796 0.000 0.329 52 C C 0.298 175.030 174.990 -0.431 0.000 1.221 52 C CA -1.085 57.615 59.018 -0.530 0.000 1.697 52 C CB -0.782 26.335 27.740 -1.040 0.000 2.312 52 C HN 0.597 nan 8.230 nan 0.000 0.509 53 L N 4.878 125.987 121.223 -0.190 0.000 2.264 53 L HA 0.399 5.217 4.340 0.796 0.000 0.289 53 L C 0.610 177.646 176.870 0.277 0.000 1.044 53 L CA -0.220 54.605 54.840 -0.024 0.000 0.807 53 L CB 0.567 42.628 42.059 0.004 0.000 1.192 53 L HN 0.812 nan 8.230 nan 0.000 0.425 54 H N 1.446 120.702 119.070 0.309 0.000 2.490 54 H HA 0.779 5.817 4.556 0.803 0.000 0.354 54 H C 0.203 175.750 175.328 0.365 0.000 1.365 54 H CA -0.186 56.111 56.048 0.416 0.000 1.413 54 H CB 1.169 31.182 29.762 0.419 0.000 1.631 54 H HN 0.527 nan 8.280 nan 0.000 0.607 55 G N -0.830 108.298 108.800 0.545 0.000 3.302 55 G HA2 0.341 4.778 3.960 0.796 0.000 0.170 55 G HA3 0.341 4.778 3.960 0.796 0.000 0.170 55 G C -0.932 174.238 174.900 0.449 0.000 1.119 55 G CA -0.621 44.683 45.100 0.340 0.000 0.826 55 G HN 0.738 nan 8.290 nan 0.000 0.646 56 E N 1.094 121.562 120.200 0.448 0.000 2.166 56 E HA 0.557 5.384 4.350 0.796 0.000 0.275 56 E C -2.422 174.646 176.600 0.781 0.000 0.941 56 E CA -2.320 54.442 56.400 0.603 0.000 0.784 56 E CB 2.348 32.427 29.700 0.633 0.000 1.115 56 E HN 0.150 nan 8.360 nan 0.000 0.399 57 P HA 0.186 nan 4.420 nan 0.000 0.209 57 P C -0.785 176.879 177.300 0.607 0.000 1.872 57 P CA -0.321 63.087 63.100 0.513 0.000 1.020 57 P CB 0.311 32.095 31.700 0.140 0.000 1.813 58 T N -2.787 112.112 114.554 0.574 0.000 2.864 58 T HA 0.754 5.581 4.350 0.796 0.000 0.276 58 T C -0.148 174.757 174.700 0.342 0.000 1.006 58 T CA -0.502 61.939 62.100 0.568 0.000 0.970 58 T CB 1.198 70.342 68.868 0.460 0.000 1.420 58 T HN 0.303 nan 8.240 nan 0.000 0.601 59 W N -1.426 119.836 121.300 -0.065 0.000 3.019 59 W HA 0.471 5.606 4.660 0.792 0.000 0.412 59 W C 1.064 177.614 176.519 0.052 0.000 1.087 59 W CA -0.119 56.978 57.345 -0.413 0.000 1.170 59 W CB 0.196 29.639 29.460 -0.029 0.000 1.483 59 W HN 0.751 nan 8.180 nan 0.000 0.606 60 S N -0.415 115.490 115.700 0.342 0.000 2.500 60 S HA -0.257 4.690 4.470 0.796 0.000 0.239 60 S C 1.469 176.096 174.600 0.046 0.000 0.989 60 S CA 1.361 59.741 58.200 0.300 0.000 0.951 60 S CB -0.940 62.495 63.200 0.392 0.000 0.759 60 S HN 0.427 nan 8.310 nan 0.000 0.523 61 Y N 2.123 121.925 120.300 -0.830 0.000 2.193 61 Y HA -0.141 4.886 4.550 0.794 0.000 0.285 61 Y C 2.052 177.742 175.900 -0.350 0.000 1.166 61 Y CA 1.420 58.967 58.100 -0.921 0.000 1.181 61 Y CB -0.552 36.777 38.460 -1.885 0.000 0.976 61 Y HN 0.337 nan 8.280 nan 0.000 0.520 62 L N -0.794 120.343 121.223 -0.142 0.000 2.261 62 L HA -0.237 4.580 4.340 0.796 0.000 0.216 62 L C 1.212 177.905 176.870 -0.295 0.000 1.114 62 L CA 1.783 56.571 54.840 -0.086 0.000 0.777 62 L CB -0.821 41.237 42.059 -0.001 0.000 0.910 62 L HN 0.292 nan 8.230 nan 0.000 0.440 63 Y N -0.519 119.764 120.300 -0.029 0.000 2.466 63 Y HA 0.090 5.116 4.550 0.792 0.000 0.272 63 Y C 2.206 178.027 175.900 -0.132 0.000 1.169 63 Y CA 0.297 58.370 58.100 -0.044 0.000 1.285 63 Y CB -0.349 38.110 38.460 -0.001 0.000 1.078 63 Y HN 0.275 nan 8.280 nan 0.000 0.523 64 R N 0.499 120.957 120.500 -0.071 0.000 2.139 64 R HA -0.192 4.625 4.340 0.796 0.000 0.243 64 R C 1.311 177.598 176.300 -0.021 0.000 1.145 64 R CA 1.809 57.908 56.100 -0.001 0.000 0.976 64 R CB -0.432 29.791 30.300 -0.129 0.000 0.866 64 R HN 0.217 nan 8.270 nan 0.000 0.449 65 K N 0.040 120.381 120.400 -0.099 0.000 2.305 65 K HA 0.098 4.895 4.320 0.796 0.000 0.199 65 K C 2.021 178.521 176.600 -0.167 0.000 1.047 65 K CA 1.168 57.388 56.287 -0.112 0.000 0.976 65 K CB 0.095 32.523 32.500 -0.120 0.000 0.765 65 K HN 0.261 nan 8.250 nan 0.000 0.474 66 M N 0.048 119.535 119.600 -0.189 0.000 2.447 66 M HA 0.053 5.010 4.480 0.796 0.000 0.266 66 M C 1.979 177.950 176.300 -0.547 0.000 1.120 66 M CA 0.899 55.941 55.300 -0.431 0.000 1.166 66 M CB -0.068 32.368 32.600 -0.273 0.000 1.349 66 M HN 0.018 nan 8.290 nan 0.000 0.463 67 I N 0.856 121.276 120.570 -0.249 0.000 2.118 67 I HA -0.249 4.398 4.170 0.796 0.000 0.241 67 I C -0.638 175.358 176.117 -0.202 0.000 1.070 67 I CA 1.817 62.983 61.300 -0.223 0.000 1.327 67 I CB -1.717 36.007 38.000 -0.460 0.000 1.034 67 I HN 0.146 nan 8.210 nan 0.000 0.405 68 P HA -0.139 nan 4.420 nan 0.000 0.215 68 P C 1.945 179.164 177.300 -0.134 0.000 1.153 68 P CA 1.270 64.328 63.100 -0.070 0.000 0.853 68 P CB -0.003 31.686 31.700 -0.019 0.000 0.788 69 V N -1.256 118.510 119.914 -0.246 0.000 2.261 69 V HA -0.249 4.348 4.120 0.796 0.000 0.246 69 V C 2.222 178.181 176.094 -0.224 0.000 1.047 69 V CA 1.861 63.998 62.300 -0.271 0.000 1.015 69 V CB -1.410 30.166 31.823 -0.411 0.000 0.642 69 V HN -0.049 nan 8.190 nan 0.000 0.446 70 F N 0.988 120.754 119.950 -0.306 0.000 2.102 70 F HA -0.125 4.879 4.527 0.795 0.000 0.298 70 F C 2.496 178.094 175.800 -0.336 0.000 1.105 70 F CA 1.062 58.739 58.000 -0.539 0.000 1.239 70 F CB -1.560 36.905 39.000 -0.892 0.000 0.991 70 F HN 0.111 nan 8.300 nan 0.000 0.474 71 A N -0.290 122.512 122.820 -0.030 0.000 1.908 71 A HA -0.198 4.600 4.320 0.796 0.000 0.218 71 A C 2.051 179.630 177.584 -0.008 0.000 1.181 71 A CA 1.774 53.800 52.037 -0.018 0.000 0.627 71 A CB -0.716 18.267 19.000 -0.028 0.000 0.818 71 A HN 0.253 nan 8.150 nan 0.000 0.445 72 E N 0.234 120.421 120.200 -0.023 0.000 2.338 72 E HA -0.087 4.740 4.350 0.796 0.000 0.197 72 E C 2.161 178.763 176.600 0.004 0.000 1.007 72 E CA 1.077 57.469 56.400 -0.013 0.000 0.849 72 E CB -0.297 29.386 29.700 -0.028 0.000 0.774 72 E HN 0.758 nan 8.360 nan 0.000 0.506 73 S N -1.754 113.956 115.700 0.016 0.000 2.562 73 S HA 0.145 5.092 4.470 0.796 0.000 0.221 73 S C 1.589 176.225 174.600 0.060 0.000 0.975 73 S CA 0.593 58.821 58.200 0.047 0.000 0.918 73 S CB 0.250 63.500 63.200 0.083 0.000 0.772 73 S HN 0.288 nan 8.310 nan 0.000 0.531 74 G N 0.141 108.970 108.800 0.049 0.000 2.179 74 G HA2 -0.008 4.430 3.960 0.796 0.000 0.220 74 G HA3 -0.008 4.430 3.960 0.796 0.000 0.220 74 G C 0.213 175.154 174.900 0.068 0.000 0.990 74 G CA -0.141 44.989 45.100 0.049 0.000 0.646 74 G HN 1.173 nan 8.290 nan 0.000 0.517 75 A N -0.059 122.821 122.820 0.101 0.000 2.287 75 A HA 0.800 5.598 4.320 0.796 0.000 0.273 75 A C 0.636 178.283 177.584 0.105 0.000 1.091 75 A CA 0.199 52.331 52.037 0.158 0.000 0.817 75 A CB 0.528 19.735 19.000 0.345 0.000 1.069 75 A HN 0.676 nan 8.150 nan 0.000 0.492 76 R N 0.569 121.135 120.500 0.110 0.000 2.349 76 R HA 0.533 5.350 4.340 0.796 0.000 0.299 76 R C -1.592 174.762 176.300 0.090 0.000 1.027 76 R CA -0.263 55.874 56.100 0.061 0.000 0.958 76 R CB 0.781 31.094 30.300 0.022 0.000 1.047 76 R HN 0.459 nan 8.270 nan 0.000 0.468 77 V N 6.421 126.354 119.914 0.032 0.000 2.407 77 V HA 0.381 4.979 4.120 0.796 0.000 0.291 77 V C -0.179 175.896 176.094 -0.033 0.000 1.018 77 V CA -0.847 61.461 62.300 0.013 0.000 0.842 77 V CB 1.552 33.356 31.823 -0.031 0.000 0.996 77 V HN 0.626 nan 8.190 nan 0.000 0.426 78 I N 4.133 124.679 120.570 -0.039 0.000 2.339 78 I HA 0.654 5.302 4.170 0.796 0.000 0.290 78 I C 0.385 176.450 176.117 -0.087 0.000 0.994 78 I CA -0.371 60.903 61.300 -0.044 0.000 1.191 78 I CB 1.572 39.518 38.000 -0.090 0.000 1.343 78 I HN 0.726 nan 8.210 nan 0.000 0.458 79 A N 9.657 132.440 122.820 -0.061 0.000 2.842 79 A HA 0.627 5.424 4.320 0.796 0.000 0.339 79 A C -2.561 175.042 177.584 0.031 0.000 1.177 79 A CA -1.251 50.745 52.037 -0.067 0.000 0.797 79 A CB 0.380 19.328 19.000 -0.087 0.000 1.094 79 A HN 0.411 nan 8.150 nan 0.000 0.474 80 P HA 0.279 nan 4.420 nan 0.000 0.278 80 P C -1.108 176.284 177.300 0.154 0.000 1.238 80 P CA 0.009 63.152 63.100 0.072 0.000 0.794 80 P CB 1.373 33.045 31.700 -0.047 0.000 0.955 81 D N 2.020 122.583 120.400 0.271 0.000 2.232 81 D HA 0.298 5.416 4.640 0.796 0.000 0.242 81 D C 0.169 176.620 176.300 0.252 0.000 1.093 81 D CA -0.164 54.091 54.000 0.426 0.000 0.845 81 D CB 0.218 41.330 40.800 0.519 0.000 1.124 81 D HN 0.157 nan 8.370 nan 0.000 0.467 82 F N 1.503 121.709 119.950 0.426 0.000 2.563 82 F HA 0.073 5.092 4.527 0.821 0.000 0.363 82 F C 1.073 177.017 175.800 0.240 0.000 1.123 82 F CA -0.173 57.922 58.000 0.159 0.000 1.307 82 F CB 0.088 39.210 39.000 0.204 0.000 1.115 82 F HN 0.205 nan 8.300 nan 0.000 0.592 83 F N 1.700 121.827 119.950 0.294 0.000 2.629 83 F HA 0.307 5.268 4.527 0.723 0.000 0.377 83 F C 1.353 177.531 175.800 0.631 0.000 1.101 83 F CA 0.812 59.012 58.000 0.334 0.000 1.301 83 F CB -0.318 38.798 39.000 0.192 0.000 1.062 83 F HN 0.668 nan 8.300 nan 0.000 0.583 84 G N 1.717 110.875 108.800 0.597 0.000 2.213 84 G HA2 -0.250 4.188 3.960 0.796 0.000 0.226 84 G HA3 -0.250 4.188 3.960 0.796 0.000 0.226 84 G C -0.289 174.463 174.900 -0.248 0.000 0.992 84 G CA -0.441 44.768 45.100 0.181 0.000 0.632 84 G HN 0.473 nan 8.290 nan 0.000 0.511 85 F N -0.188 120.007 119.950 0.408 0.000 2.588 85 F HA 0.621 5.608 4.527 0.767 0.000 0.314 85 F C 1.280 177.146 175.800 0.110 0.000 1.069 85 F CA 0.352 58.567 58.000 0.360 0.000 0.931 85 F CB 1.588 40.932 39.000 0.573 0.000 1.260 85 F HN 0.919 nan 8.300 nan 0.000 0.465 86 G N 2.162 110.905 108.800 -0.094 0.000 2.629 86 G HA2 -0.340 4.098 3.960 0.796 0.000 0.313 86 G HA3 -0.340 4.098 3.960 0.796 0.000 0.313 86 G C 0.562 175.071 174.900 -0.652 0.000 1.217 86 G CA 0.570 45.252 45.100 -0.696 0.000 0.994 86 G HN 0.673 nan 8.290 nan 0.000 0.549 87 K N 0.772 120.871 120.400 -0.502 0.000 2.397 87 K HA 0.416 5.213 4.320 0.796 0.000 0.202 87 K C 0.549 177.180 176.600 0.051 0.000 1.022 87 K CA 0.182 56.193 56.287 -0.461 0.000 1.141 87 K CB 0.661 32.577 32.500 -0.973 0.000 0.857 87 K HN 0.256 nan 8.250 nan 0.000 0.514 88 S N 1.319 117.129 115.700 0.183 0.000 2.632 88 S HA 0.140 5.088 4.470 0.796 0.000 0.271 88 S C -0.179 174.625 174.600 0.341 0.000 1.260 88 S CA -0.716 57.671 58.200 0.311 0.000 1.010 88 S CB 0.946 64.294 63.200 0.248 0.000 0.965 88 S HN 0.123 nan 8.310 nan 0.000 0.534 89 D N 1.901 122.563 120.400 0.436 0.000 2.423 89 D HA 0.142 5.260 4.640 0.796 0.000 0.238 89 D C -0.198 176.307 176.300 0.341 0.000 1.142 89 D CA 0.548 54.738 54.000 0.316 0.000 0.884 89 D CB 0.379 41.309 40.800 0.217 0.000 1.199 89 D HN 0.308 nan 8.370 nan 0.000 0.438 90 K N 2.482 123.005 120.400 0.205 0.000 2.527 90 K HA 0.310 5.107 4.320 0.796 0.000 0.240 90 K C -2.546 174.102 176.600 0.079 0.000 0.989 90 K CA -1.693 54.716 56.287 0.203 0.000 0.985 90 K CB 1.742 34.362 32.500 0.199 0.000 1.221 90 K HN 0.085 nan 8.250 nan 0.000 0.458 91 P HA -0.165 nan 4.420 nan 0.000 0.259 91 P C 1.079 178.346 177.300 -0.055 0.000 1.163 91 P CA 0.127 63.124 63.100 -0.173 0.000 0.760 91 P CB 0.511 31.852 31.700 -0.599 0.000 0.762 92 V N 0.351 120.204 119.914 -0.102 0.000 3.041 92 V HA 0.003 4.600 4.120 0.796 0.000 0.260 92 V C 0.407 176.470 176.094 -0.053 0.000 1.105 92 V CA 1.270 63.521 62.300 -0.080 0.000 1.125 92 V CB -0.619 31.135 31.823 -0.115 0.000 0.730 92 V HN 0.295 nan 8.190 nan 0.000 0.479 93 D N 0.961 121.309 120.400 -0.087 0.000 2.280 93 D HA 0.263 5.381 4.640 0.796 0.000 0.236 93 D C 0.769 177.066 176.300 -0.004 0.000 1.082 93 D CA -0.171 53.786 54.000 -0.072 0.000 0.834 93 D CB 1.966 42.692 40.800 -0.123 0.000 1.100 93 D HN 0.361 nan 8.370 nan 0.000 0.486 94 E N 0.975 121.217 120.200 0.071 0.000 2.118 94 E HA -0.206 4.622 4.350 0.796 0.000 0.195 94 E C 0.894 177.573 176.600 0.130 0.000 0.992 94 E CA 0.985 57.485 56.400 0.167 0.000 0.804 94 E CB 0.307 30.032 29.700 0.042 0.000 0.741 94 E HN 0.281 nan 8.360 nan 0.000 0.458 95 E N 0.720 120.924 120.200 0.008 0.000 2.338 95 E HA -0.127 4.700 4.350 0.796 0.000 0.197 95 E C 1.065 177.587 176.600 -0.130 0.000 1.007 95 E CA 0.604 56.985 56.400 -0.031 0.000 0.849 95 E CB -0.111 29.567 29.700 -0.037 0.000 0.774 95 E HN 0.212 nan 8.360 nan 0.000 0.506 96 D N -0.793 119.432 120.400 -0.292 0.000 2.363 96 D HA -0.093 5.025 4.640 0.796 0.000 0.220 96 D C -0.376 175.343 176.300 -0.968 0.000 0.994 96 D CA 0.411 54.053 54.000 -0.597 0.000 0.890 96 D CB 0.065 40.410 40.800 -0.758 0.000 0.906 96 D HN 0.236 nan 8.370 nan 0.000 0.530 97 Y N 0.520 120.525 120.300 -0.491 0.000 2.369 97 Y HA 0.270 5.270 4.550 0.750 0.000 0.337 97 Y C 0.989 176.832 175.900 -0.095 0.000 0.961 97 Y CA -0.645 57.197 58.100 -0.430 0.000 1.186 97 Y CB 1.265 39.585 38.460 -0.234 0.000 1.139 97 Y HN -0.260 nan 8.280 nan 0.000 0.494 98 T N -1.449 113.223 114.554 0.196 0.000 2.864 98 T HA 0.307 5.135 4.350 0.796 0.000 0.289 98 T C 0.452 175.441 174.700 0.482 0.000 1.082 98 T CA -0.697 61.601 62.100 0.331 0.000 1.009 98 T CB 0.938 69.973 68.868 0.278 0.000 1.234 98 T HN 0.367 nan 8.240 nan 0.000 0.526 99 F N 1.309 121.482 119.950 0.372 0.000 2.046 99 F HA -0.043 4.990 4.527 0.843 0.000 0.297 99 F C 2.442 178.480 175.800 0.397 0.000 1.123 99 F CA 1.996 60.251 58.000 0.424 0.000 1.199 99 F CB -0.316 38.908 39.000 0.373 0.000 0.972 99 F HN 0.768 nan 8.300 nan 0.000 0.474 100 E N -0.703 119.751 120.200 0.422 0.000 2.150 100 E HA -0.227 4.600 4.350 0.796 0.000 0.193 100 E C 2.132 178.913 176.600 0.301 0.000 0.985 100 E CA 1.110 57.691 56.400 0.301 0.000 0.814 100 E CB -0.577 29.312 29.700 0.316 0.000 0.752 100 E HN 0.517 nan 8.360 nan 0.000 0.466 101 F N 1.963 122.031 119.950 0.196 0.000 2.091 101 F HA -0.268 4.242 4.527 -0.029 0.000 0.299 101 F C 2.233 178.164 175.800 0.219 0.000 1.103 101 F CA 1.800 59.921 58.000 0.202 0.000 1.228 101 F CB -0.130 38.881 39.000 0.020 0.000 0.984 101 F HN 0.065 nan 8.300 nan 0.000 0.477 102 H N -0.483 118.702 119.070 0.192 0.000 2.403 102 H HA 0.004 5.211 4.556 1.084 0.000 0.298 102 H C 2.466 177.888 175.328 0.158 0.000 1.059 102 H CA 1.361 57.460 56.048 0.085 0.000 1.363 102 H CB -0.394 29.336 29.762 -0.053 0.000 1.410 102 H HN 0.299 nan 8.280 nan 0.000 0.528 103 R N 1.138 121.724 120.500 0.143 0.000 2.066 103 R HA -0.096 4.722 4.340 0.796 0.000 0.232 103 R C 1.739 178.115 176.300 0.127 0.000 1.131 103 R CA 1.532 57.671 56.100 0.065 0.000 0.955 103 R CB 0.005 30.239 30.300 -0.110 0.000 0.851 103 R HN 0.355 nan 8.270 nan 0.000 0.432 104 N N -0.397 118.412 118.700 0.183 0.000 2.188 104 N HA -0.180 5.038 4.740 0.796 0.000 0.184 104 N C 1.550 177.198 175.510 0.231 0.000 1.018 104 N CA 1.056 54.242 53.050 0.228 0.000 0.858 104 N CB -0.212 38.463 38.487 0.313 0.000 0.989 104 N HN 0.145 nan 8.380 nan 0.000 0.426 105 F N 2.022 121.931 119.950 -0.068 0.000 2.091 105 F HA -0.174 4.816 4.527 0.772 0.000 0.299 105 F C 1.745 177.451 175.800 -0.157 0.000 1.103 105 F CA 1.349 59.100 58.000 -0.414 0.000 1.228 105 F CB -0.452 38.152 39.000 -0.660 0.000 0.984 105 F HN -0.047 nan 8.300 nan 0.000 0.477 106 L N -0.166 120.874 121.223 -0.304 0.000 2.017 106 L HA -0.236 4.581 4.340 0.796 0.000 0.208 106 L C 2.600 179.320 176.870 -0.250 0.000 1.073 106 L CA 1.288 55.904 54.840 -0.373 0.000 0.745 106 L CB -0.799 41.241 42.059 -0.032 0.000 0.894 106 L HN 0.243 nan 8.230 nan 0.000 0.432 107 L N -0.517 120.653 121.223 -0.088 0.000 2.042 107 L HA -0.233 4.585 4.340 0.796 0.000 0.210 107 L C 2.884 179.711 176.870 -0.072 0.000 1.076 107 L CA 1.216 56.034 54.840 -0.037 0.000 0.749 107 L CB -0.768 41.310 42.059 0.031 0.000 0.893 107 L HN 0.267 nan 8.230 nan 0.000 0.432 108 A N 0.065 122.842 122.820 -0.070 0.000 1.883 108 A HA -0.245 4.553 4.320 0.796 0.000 0.217 108 A C 2.248 179.738 177.584 -0.158 0.000 1.186 108 A CA 1.914 53.923 52.037 -0.047 0.000 0.624 108 A CB -0.733 18.314 19.000 0.079 0.000 0.822 108 A HN 0.361 nan 8.150 nan 0.000 0.444 109 L N -0.149 120.861 121.223 -0.354 0.000 2.017 109 L HA -0.119 4.699 4.340 0.796 0.000 0.208 109 L C 2.297 178.974 176.870 -0.322 0.000 1.073 109 L CA 1.828 56.411 54.840 -0.428 0.000 0.745 109 L CB -0.310 41.313 42.059 -0.726 0.000 0.894 109 L HN 0.437 nan 8.230 nan 0.000 0.432 110 I N -0.411 119.995 120.570 -0.272 0.000 2.208 110 I HA -0.310 4.337 4.170 0.796 0.000 0.245 110 I C 2.427 178.445 176.117 -0.164 0.000 1.097 110 I CA 1.631 62.805 61.300 -0.211 0.000 1.363 110 I CB -0.434 37.477 38.000 -0.149 0.000 1.051 110 I HN 0.392 nan 8.210 nan 0.000 0.413 111 E N 0.292 120.420 120.200 -0.122 0.000 2.047 111 E HA -0.256 4.571 4.350 0.796 0.000 0.191 111 E C 2.229 178.779 176.600 -0.084 0.000 0.987 111 E CA 0.894 57.243 56.400 -0.084 0.000 0.799 111 E CB -0.072 29.601 29.700 -0.046 0.000 0.752 111 E HN 0.209 nan 8.360 nan 0.000 0.449 112 R N 1.278 121.721 120.500 -0.096 0.000 2.083 112 R HA -0.112 4.705 4.340 0.796 0.000 0.237 112 R C 1.940 178.182 176.300 -0.096 0.000 1.137 112 R CA 1.442 57.494 56.100 -0.079 0.000 0.951 112 R CB -0.500 29.752 30.300 -0.080 0.000 0.851 112 R HN 0.162 nan 8.270 nan 0.000 0.434 113 L N -0.024 121.107 121.223 -0.154 0.000 2.554 113 L HA 0.118 4.935 4.340 0.796 0.000 0.226 113 L C 0.188 176.984 176.870 -0.123 0.000 1.137 113 L CA 0.473 55.222 54.840 -0.152 0.000 0.863 113 L CB -0.468 41.446 42.059 -0.241 0.000 0.985 113 L HN 0.284 nan 8.230 nan 0.000 0.451 114 D N 1.297 121.625 120.400 -0.121 0.000 2.737 114 D HA -0.199 4.918 4.640 0.796 0.000 0.238 114 D C -0.335 175.884 176.300 -0.135 0.000 1.157 114 D CA 0.419 54.353 54.000 -0.110 0.000 0.694 114 D CB -0.855 39.899 40.800 -0.078 0.000 1.021 114 D HN 0.157 nan 8.370 nan 0.000 0.420 115 L N 1.598 122.714 121.223 -0.178 0.000 2.313 115 L HA 0.431 5.248 4.340 0.796 0.000 0.282 115 L C 1.329 178.046 176.870 -0.255 0.000 1.092 115 L CA -0.166 54.547 54.840 -0.211 0.000 0.831 115 L CB 0.851 42.762 42.059 -0.248 0.000 1.159 115 L HN 0.078 nan 8.230 nan 0.000 0.442 116 R N 2.593 122.961 120.500 -0.219 0.000 2.912 116 R HA 0.391 5.209 4.340 0.796 0.000 0.262 116 R C -0.380 175.789 176.300 -0.219 0.000 1.057 116 R CA -1.148 54.818 56.100 -0.223 0.000 0.981 116 R CB 1.225 31.436 30.300 -0.150 0.000 1.201 116 R HN 0.603 nan 8.270 nan 0.000 0.484 117 N N 0.904 119.482 118.700 -0.204 0.000 2.688 117 N HA -0.193 5.024 4.740 0.796 0.000 0.258 117 N C -0.692 174.670 175.510 -0.247 0.000 1.016 117 N CA 0.802 53.739 53.050 -0.190 0.000 0.747 117 N CB -1.130 37.264 38.487 -0.156 0.000 0.895 117 N HN 0.495 nan 8.380 nan 0.000 0.543 118 I N 0.923 121.320 120.570 -0.289 0.000 2.396 118 I HA 0.029 4.676 4.170 0.796 0.000 0.289 118 I C 0.772 176.768 176.117 -0.201 0.000 1.056 118 I CA 0.102 61.219 61.300 -0.303 0.000 1.365 118 I CB 0.792 38.505 38.000 -0.478 0.000 1.407 118 I HN -0.044 nan 8.210 nan 0.000 0.509 119 T N 7.794 122.117 114.554 -0.385 0.000 2.794 119 T HA 0.209 5.037 4.350 0.796 0.000 0.304 119 T C -0.018 174.582 174.700 -0.167 0.000 0.973 119 T CA -0.442 61.434 62.100 -0.373 0.000 0.972 119 T CB 0.123 68.433 68.868 -0.931 0.000 0.952 119 T HN 0.175 nan 8.240 nan 0.000 0.509 120 L N 5.986 127.246 121.223 0.061 0.000 2.534 120 L HA 0.208 5.026 4.340 0.796 0.000 0.271 120 L C -0.391 176.523 176.870 0.073 0.000 1.178 120 L CA 0.424 55.326 54.840 0.102 0.000 0.907 120 L CB 0.217 42.386 42.059 0.184 0.000 1.164 120 L HN 0.371 nan 8.230 nan 0.000 0.482 121 V N 6.499 126.442 119.914 0.049 0.000 2.350 121 V HA 0.594 5.191 4.120 0.796 0.000 0.285 121 V C -0.236 175.919 176.094 0.103 0.000 1.014 121 V CA -0.560 61.804 62.300 0.108 0.000 0.831 121 V CB 1.513 33.415 31.823 0.131 0.000 1.000 121 V HN 0.629 nan 8.190 nan 0.000 0.433 122 V N 2.022 122.007 119.914 0.119 0.000 3.040 122 V HA 0.921 5.519 4.120 0.796 0.000 0.312 122 V C -0.954 175.169 176.094 0.049 0.000 1.115 122 V CA -0.521 61.827 62.300 0.079 0.000 0.998 122 V CB 2.170 33.981 31.823 -0.021 0.000 1.042 122 V HN 0.842 nan 8.190 nan 0.000 0.433 123 Q N 1.105 120.898 119.800 -0.013 0.000 2.574 123 Q HA 0.252 5.069 4.340 0.796 0.000 0.265 123 Q C -0.453 175.392 176.000 -0.259 0.000 0.975 123 Q CA 0.517 56.243 55.803 -0.128 0.000 0.923 123 Q CB 2.347 31.048 28.738 -0.063 0.000 1.518 123 Q HN 1.213 nan 8.270 nan 0.000 0.401 124 D N 1.368 121.498 120.400 -0.452 0.000 3.740 124 D HA -0.292 4.826 4.640 0.796 0.000 0.147 124 D C 0.314 175.791 176.300 -1.371 0.000 0.885 124 D CA 2.889 56.444 54.000 -0.742 0.000 1.051 124 D CB -1.037 39.584 40.800 -0.299 0.000 0.480 124 D HN 0.669 nan 8.370 nan 0.000 0.469 125 W N 0.322 120.998 121.300 -1.040 0.000 2.425 125 W HA 0.170 5.327 4.660 0.829 0.000 0.277 125 W C 2.487 178.744 176.519 -0.437 0.000 1.231 125 W CA 1.003 57.784 57.345 -0.940 0.000 1.248 125 W CB -0.524 28.267 29.460 -1.116 0.000 1.117 125 W HN 0.416 nan 8.180 nan 0.000 0.568 126 G N -0.085 108.711 108.800 -0.006 0.000 2.448 126 G HA2 -0.173 4.265 3.960 0.796 0.000 0.219 126 G HA3 -0.173 4.265 3.960 0.796 0.000 0.219 126 G C 1.668 176.576 174.900 0.013 0.000 1.127 126 G CA 1.147 46.324 45.100 0.128 0.000 0.766 126 G HN 0.397 nan 8.290 nan 0.000 0.552 127 G N 0.592 109.291 108.800 -0.168 0.000 2.425 127 G HA2 0.018 4.456 3.960 0.796 0.000 0.213 127 G HA3 0.018 4.456 3.960 0.796 0.000 0.213 127 G C 1.519 176.401 174.900 -0.030 0.000 1.201 127 G CA 0.628 45.635 45.100 -0.154 0.000 0.799 127 G HN 0.216 nan 8.290 nan 0.000 0.534 128 F N 1.066 120.888 119.950 -0.214 0.000 2.115 128 F HA -0.059 4.938 4.527 0.783 0.000 0.300 128 F C 2.525 178.375 175.800 0.084 0.000 1.092 128 F CA 0.532 58.400 58.000 -0.220 0.000 1.245 128 F CB -1.146 37.448 39.000 -0.676 0.000 0.995 128 F HN 0.051 nan 8.300 nan 0.000 0.481 129 L N -0.906 120.498 121.223 0.301 0.000 2.084 129 L HA 0.060 4.878 4.340 0.796 0.000 0.202 129 L C 2.834 179.801 176.870 0.162 0.000 1.074 129 L CA 1.161 56.130 54.840 0.214 0.000 0.757 129 L CB -1.354 40.820 42.059 0.193 0.000 0.918 129 L HN 0.174 nan 8.230 nan 0.000 0.444 130 G N 0.239 109.122 108.800 0.138 0.000 2.442 130 G HA2 -0.231 4.207 3.960 0.796 0.000 0.219 130 G HA3 -0.231 4.207 3.960 0.796 0.000 0.219 130 G C 1.544 176.478 174.900 0.056 0.000 1.141 130 G CA 0.622 45.772 45.100 0.084 0.000 0.763 130 G HN 0.245 nan 8.290 nan 0.000 0.554 131 L N 1.310 122.581 121.223 0.081 0.000 2.549 131 L HA 0.025 4.843 4.340 0.796 0.000 0.229 131 L C 2.629 179.696 176.870 0.327 0.000 1.158 131 L CA 1.304 56.264 54.840 0.201 0.000 0.842 131 L CB -0.238 41.807 42.059 -0.023 0.000 0.952 131 L HN 0.406 nan 8.230 nan 0.000 0.452 132 T N -4.568 110.082 114.554 0.159 0.000 3.105 132 T HA 0.213 5.040 4.350 0.796 0.000 0.253 132 T C 1.445 176.090 174.700 -0.092 0.000 1.047 132 T CA -0.174 61.976 62.100 0.084 0.000 0.944 132 T CB 0.132 69.134 68.868 0.224 0.000 1.016 132 T HN 0.170 nan 8.240 nan 0.000 0.544 133 L N 0.265 121.372 121.223 -0.194 0.000 2.168 133 L HA 0.225 5.042 4.340 0.796 0.000 0.203 133 L C -0.574 175.875 176.870 -0.701 0.000 1.078 133 L CA 0.273 54.929 54.840 -0.305 0.000 0.780 133 L CB -1.373 40.574 42.059 -0.186 0.000 0.939 133 L HN 0.135 nan 8.230 nan 0.000 0.451 134 P HA -0.231 nan 4.420 nan 0.000 0.216 134 P C 1.940 178.559 177.300 -1.135 0.000 1.154 134 P CA 1.712 63.904 63.100 -1.512 0.000 0.865 134 P CB -0.142 30.716 31.700 -1.403 0.000 0.789 135 M N -2.255 116.539 119.600 -1.343 0.000 2.279 135 M HA -0.051 4.907 4.480 0.796 0.000 0.264 135 M C 1.907 178.005 176.300 -0.337 0.000 1.062 135 M CA 2.300 57.086 55.300 -0.857 0.000 1.099 135 M CB -1.064 31.178 32.600 -0.597 0.000 1.394 135 M HN -0.192 nan 8.290 nan 0.000 0.426 136 A N -0.056 122.605 122.820 -0.264 0.000 2.066 136 A HA -0.081 4.717 4.320 0.796 0.000 0.218 136 A C 0.740 178.310 177.584 -0.023 0.000 1.157 136 A CA 1.527 53.508 52.037 -0.093 0.000 0.670 136 A CB -0.116 18.855 19.000 -0.049 0.000 0.804 136 A HN 0.659 nan 8.150 nan 0.000 0.453 137 D N -2.401 118.001 120.400 0.004 0.000 3.361 137 D HA 0.097 5.215 4.640 0.796 0.000 0.246 137 D C -2.331 174.081 176.300 0.187 0.000 1.395 137 D CA -0.651 53.404 54.000 0.090 0.000 0.839 137 D CB 0.619 41.484 40.800 0.108 0.000 1.469 137 D HN 0.054 nan 8.370 nan 0.000 0.636 138 P HA -0.157 nan 4.420 nan 0.000 0.219 138 P C 1.256 178.730 177.300 0.289 0.000 1.146 138 P CA 0.823 64.068 63.100 0.242 0.000 0.808 138 P CB 0.133 31.999 31.700 0.276 0.000 0.779 139 S N -0.326 115.472 115.700 0.164 0.000 2.474 139 S HA -0.037 4.910 4.470 0.796 0.000 0.235 139 S C 1.964 176.585 174.600 0.035 0.000 0.997 139 S CA 0.398 58.648 58.200 0.084 0.000 0.949 139 S CB -0.800 62.422 63.200 0.036 0.000 0.766 139 S HN 0.184 nan 8.310 nan 0.000 0.517 140 R N -0.343 120.171 120.500 0.023 0.000 2.240 140 R HA 0.266 5.084 4.340 0.796 0.000 0.203 140 R C -0.646 175.419 176.300 -0.391 0.000 1.011 140 R CA 0.351 56.302 56.100 -0.248 0.000 1.007 140 R CB 0.025 30.055 30.300 -0.450 0.000 0.911 140 R HN 0.409 nan 8.270 nan 0.000 0.468 141 F N 1.184 121.166 119.950 0.052 0.000 2.427 141 F HA 0.240 5.241 4.527 0.791 0.000 0.346 141 F C 1.295 177.203 175.800 0.180 0.000 1.120 141 F CA -0.754 57.324 58.000 0.130 0.000 1.033 141 F CB 1.489 40.617 39.000 0.214 0.000 1.126 141 F HN -0.243 nan 8.300 nan 0.000 0.462 142 K N 2.509 123.044 120.400 0.224 0.000 2.425 142 K HA 0.351 5.148 4.320 0.796 0.000 0.201 142 K C 0.052 176.700 176.600 0.081 0.000 1.128 142 K CA 0.298 56.620 56.287 0.059 0.000 1.000 142 K CB 0.694 33.139 32.500 -0.091 0.000 0.961 142 K HN 0.712 nan 8.250 nan 0.000 0.555 143 R N -0.405 120.265 120.500 0.284 0.000 2.752 143 R HA 0.548 5.365 4.340 0.796 0.000 0.271 143 R C -1.979 174.577 176.300 0.426 0.000 1.026 143 R CA -0.782 55.477 56.100 0.266 0.000 0.901 143 R CB 1.552 31.648 30.300 -0.340 0.000 1.243 143 R HN 0.080 nan 8.270 nan 0.000 0.463 144 L N 1.425 122.917 121.223 0.449 0.000 2.470 144 L HA 0.591 5.409 4.340 0.796 0.000 0.268 144 L C -1.727 175.385 176.870 0.404 0.000 0.964 144 L CA -0.171 54.847 54.840 0.297 0.000 0.839 144 L CB 1.938 44.034 42.059 0.062 0.000 1.276 144 L HN 0.594 nan 8.230 nan 0.000 0.403 145 I N 6.474 127.235 120.570 0.317 0.000 2.371 145 I HA 0.409 5.056 4.170 0.796 0.000 0.282 145 I C -0.451 175.759 176.117 0.154 0.000 1.031 145 I CA -0.264 61.234 61.300 0.331 0.000 1.180 145 I CB 1.436 39.674 38.000 0.395 0.000 1.336 145 I HN 0.553 nan 8.210 nan 0.000 0.467 146 I N 7.389 127.986 120.570 0.044 0.000 2.312 146 I HA 0.447 5.094 4.170 0.796 0.000 0.290 146 I C -0.586 175.478 176.117 -0.089 0.000 1.008 146 I CA -0.209 61.043 61.300 -0.080 0.000 1.226 146 I CB 0.579 38.448 38.000 -0.219 0.000 1.371 146 I HN 0.573 nan 8.210 nan 0.000 0.468 147 M N 5.278 124.837 119.600 -0.068 0.000 2.705 147 M HA 0.379 5.336 4.480 0.796 0.000 0.311 147 M C 0.079 176.279 176.300 -0.166 0.000 1.214 147 M CA -0.911 54.332 55.300 -0.095 0.000 0.920 147 M CB 1.329 33.910 32.600 -0.031 0.000 1.687 147 M HN 0.442 nan 8.290 nan 0.000 0.481 148 N N 1.929 120.513 118.700 -0.194 0.000 1.857 148 N HA 0.042 5.260 4.740 0.796 0.000 0.282 148 N C -1.090 174.278 175.510 -0.237 0.000 1.312 148 N CA 0.441 53.361 53.050 -0.217 0.000 0.994 148 N CB -0.616 37.752 38.487 -0.198 0.000 1.369 148 N HN 0.694 nan 8.380 nan 0.000 0.479 149 A N 0.024 122.701 122.820 -0.239 0.000 2.588 149 A HA 0.848 5.646 4.320 0.796 0.000 0.290 149 A C -0.300 177.135 177.584 -0.248 0.000 1.136 149 A CA -0.260 51.646 52.037 -0.218 0.000 0.681 149 A CB 0.808 19.651 19.000 -0.262 0.000 1.282 149 A HN 0.839 nan 8.150 nan 0.000 0.421 150 C N -1.739 117.454 119.300 -0.178 0.000 3.230 150 C HA 0.821 5.758 4.460 0.796 0.000 0.376 150 C C -1.493 173.201 174.990 -0.494 0.000 1.956 150 C CA -0.851 57.777 59.018 -0.650 0.000 1.141 150 C CB -0.121 26.824 27.740 -1.326 0.000 2.302 150 C HN 0.960 nan 8.230 nan 0.000 0.422 151 L N 1.219 122.025 121.223 -0.696 0.000 2.334 151 L HA 0.573 5.391 4.340 0.796 0.000 0.276 151 L C 0.189 176.852 176.870 -0.345 0.000 1.014 151 L CA -0.568 54.081 54.840 -0.318 0.000 0.815 151 L CB 1.629 43.634 42.059 -0.089 0.000 1.268 151 L HN 0.566 nan 8.230 nan 0.000 0.428 152 M N 2.285 121.666 119.600 -0.366 0.000 3.706 152 M HA 0.131 5.088 4.480 0.796 0.000 0.204 152 M C 0.344 176.515 176.300 -0.215 0.000 1.455 152 M CA 0.195 55.264 55.300 -0.385 0.000 1.659 152 M CB -0.847 31.489 32.600 -0.441 0.000 1.076 152 M HN 0.615 nan 8.290 nan 0.000 0.577 153 T N 0.313 114.812 114.554 -0.091 0.000 2.810 153 T HA 0.231 5.058 4.350 0.796 0.000 0.277 153 T C 0.010 174.667 174.700 -0.072 0.000 0.973 153 T CA -0.679 61.392 62.100 -0.047 0.000 0.949 153 T CB 0.879 69.773 68.868 0.044 0.000 1.075 153 T HN 0.639 nan 8.240 nan 0.000 0.537 154 D N 1.924 122.286 120.400 -0.064 0.000 2.372 154 D HA 0.122 5.239 4.640 0.796 0.000 0.243 154 D C -1.712 174.537 176.300 -0.085 0.000 1.121 154 D CA -1.512 52.443 54.000 -0.075 0.000 0.898 154 D CB 1.062 41.827 40.800 -0.059 0.000 1.202 154 D HN 0.312 nan 8.370 nan 0.000 0.428 155 P HA -0.168 nan 4.420 nan 0.000 0.220 155 P C 1.575 178.813 177.300 -0.103 0.000 1.144 155 P CA 0.491 63.522 63.100 -0.114 0.000 0.800 155 P CB 0.260 31.891 31.700 -0.115 0.000 0.772 156 V N 0.226 120.091 119.914 -0.081 0.000 2.346 156 V HA -0.152 4.446 4.120 0.796 0.000 0.244 156 V C 2.635 178.682 176.094 -0.077 0.000 1.037 156 V CA 2.452 64.709 62.300 -0.071 0.000 1.029 156 V CB -1.771 30.021 31.823 -0.052 0.000 0.663 156 V HN 0.155 nan 8.190 nan 0.000 0.454 157 T N -0.950 113.562 114.554 -0.070 0.000 2.788 157 T HA -0.103 4.725 4.350 0.796 0.000 0.268 157 T C 0.858 175.491 174.700 -0.111 0.000 1.044 157 T CA 1.117 63.179 62.100 -0.063 0.000 1.139 157 T CB -0.087 68.762 68.868 -0.032 0.000 0.867 157 T HN 0.300 nan 8.240 nan 0.000 0.454 158 Q N -0.097 119.605 119.800 -0.163 0.000 2.961 158 Q HA 0.193 5.010 4.340 0.796 0.000 0.223 158 Q C -2.216 173.577 176.000 -0.345 0.000 0.859 158 Q CA -1.441 54.160 55.803 -0.336 0.000 0.771 158 Q CB 2.138 30.574 28.738 -0.504 0.000 1.389 158 Q HN 0.212 nan 8.270 nan 0.000 0.460 159 P HA -0.178 nan 4.420 nan 0.000 0.218 159 P C 1.053 178.235 177.300 -0.196 0.000 1.148 159 P CA 1.318 64.300 63.100 -0.196 0.000 0.822 159 P CB 0.351 31.964 31.700 -0.145 0.000 0.784 160 A N 0.257 122.901 122.820 -0.292 0.000 1.917 160 A HA -0.194 4.604 4.320 0.796 0.000 0.219 160 A C 1.720 179.368 177.584 0.107 0.000 1.182 160 A CA 1.608 53.542 52.037 -0.172 0.000 0.633 160 A CB -1.721 17.081 19.000 -0.330 0.000 0.819 160 A HN 0.104 nan 8.150 nan 0.000 0.448 161 F N 0.036 119.981 119.950 -0.008 0.000 2.804 161 F HA 0.198 5.204 4.527 0.798 0.000 0.303 161 F C 1.818 177.527 175.800 -0.152 0.000 1.154 161 F CA 0.268 58.284 58.000 0.026 0.000 1.401 161 F CB -0.653 38.293 39.000 -0.090 0.000 1.106 161 F HN 0.145 nan 8.300 nan 0.000 0.568 162 S N -0.949 114.662 115.700 -0.148 0.000 2.663 162 S HA 0.262 5.210 4.470 0.796 0.000 0.247 162 S C 2.115 176.399 174.600 -0.527 0.000 1.074 162 S CA 0.340 58.259 58.200 -0.469 0.000 0.955 162 S CB 0.072 63.093 63.200 -0.299 0.000 0.901 162 S HN 0.202 nan 8.310 nan 0.000 0.505 163 A N 1.902 124.577 122.820 -0.242 0.000 2.024 163 A HA -0.093 4.704 4.320 0.796 0.000 0.220 163 A C 1.796 179.311 177.584 -0.115 0.000 1.164 163 A CA 1.713 53.667 52.037 -0.138 0.000 0.643 163 A CB -1.022 17.960 19.000 -0.029 0.000 0.806 163 A HN 0.671 nan 8.150 nan 0.000 0.451 164 F N -1.141 118.748 119.950 -0.101 0.000 2.407 164 F HA 0.064 5.066 4.527 0.791 0.000 0.299 164 F C 1.551 177.287 175.800 -0.107 0.000 1.097 164 F CA 0.772 58.729 58.000 -0.072 0.000 1.422 164 F CB -0.945 37.999 39.000 -0.093 0.000 1.067 164 F HN -0.051 nan 8.300 nan 0.000 0.539 165 V N 0.630 119.999 119.914 -0.909 0.000 2.759 165 V HA -0.215 4.383 4.120 0.796 0.000 0.256 165 V C 2.148 178.188 176.094 -0.090 0.000 1.080 165 V CA 2.194 64.029 62.300 -0.775 0.000 1.101 165 V CB -1.182 30.113 31.823 -0.880 0.000 0.698 165 V HN 0.522 nan 8.190 nan 0.000 0.477 166 T N 0.049 114.554 114.554 -0.080 0.000 2.852 166 T HA 0.034 4.861 4.350 0.796 0.000 0.256 166 T C 0.678 175.445 174.700 0.112 0.000 1.038 166 T CA 0.969 63.086 62.100 0.028 0.000 1.141 166 T CB -0.033 68.826 68.868 -0.015 0.000 0.869 166 T HN 0.766 nan 8.240 nan 0.000 0.439 167 Q N 0.081 119.960 119.800 0.131 0.000 2.756 167 Q HA 0.410 5.228 4.340 0.796 0.000 0.295 167 Q C -3.370 172.739 176.000 0.183 0.000 0.903 167 Q CA -1.906 53.989 55.803 0.155 0.000 0.768 167 Q CB 1.116 29.912 28.738 0.097 0.000 1.472 167 Q HN -0.033 nan 8.270 nan 0.000 0.416 168 P HA 0.168 nan 4.420 nan 0.000 0.276 168 P C 0.065 177.461 177.300 0.162 0.000 1.252 168 P CA 0.271 63.453 63.100 0.138 0.000 0.802 168 P CB 1.087 32.852 31.700 0.108 0.000 1.035 169 A N 1.880 124.773 122.820 0.121 0.000 1.940 169 A HA -0.202 4.595 4.320 0.796 0.000 0.219 169 A C 1.574 179.242 177.584 0.140 0.000 1.176 169 A CA 2.144 54.249 52.037 0.113 0.000 0.631 169 A CB -1.342 17.697 19.000 0.065 0.000 0.814 169 A HN 0.710 nan 8.150 nan 0.000 0.446 170 D N -0.849 119.635 120.400 0.139 0.000 2.349 170 D HA 0.155 5.273 4.640 0.796 0.000 0.224 170 D C 1.121 177.594 176.300 0.287 0.000 1.029 170 D CA 0.884 54.983 54.000 0.166 0.000 0.879 170 D CB -0.409 40.441 40.800 0.084 0.000 0.906 170 D HN 0.322 nan 8.370 nan 0.000 0.528 171 G N 0.134 109.116 108.800 0.302 0.000 3.380 171 G HA2 -0.044 4.394 3.960 0.796 0.000 0.188 171 G HA3 -0.044 4.394 3.960 0.796 0.000 0.188 171 G C 0.928 176.088 174.900 0.434 0.000 1.892 171 G CA -0.014 45.309 45.100 0.372 0.000 0.912 171 G HN 0.282 nan 8.290 nan 0.000 0.609 172 W N 1.433 122.871 121.300 0.230 0.000 2.338 172 W HA -0.156 4.977 4.660 0.789 0.000 0.304 172 W C 2.117 178.821 176.519 0.308 0.000 1.212 172 W CA 2.266 59.757 57.345 0.243 0.000 1.264 172 W CB -0.692 28.935 29.460 0.279 0.000 1.142 172 W HN 0.318 nan 8.180 nan 0.000 0.512 173 T N 1.540 116.162 114.554 0.113 0.000 2.720 173 T HA -0.193 4.635 4.350 0.796 0.000 0.268 173 T C 2.098 176.834 174.700 0.060 0.000 1.037 173 T CA 2.382 64.489 62.100 0.012 0.000 1.144 173 T CB -0.772 68.171 68.868 0.124 0.000 0.864 173 T HN 0.268 nan 8.240 nan 0.000 0.444 174 A N 1.460 124.408 122.820 0.213 0.000 1.873 174 A HA -0.095 4.702 4.320 0.796 0.000 0.215 174 A C 2.153 179.980 177.584 0.406 0.000 1.186 174 A CA 1.346 53.602 52.037 0.364 0.000 0.616 174 A CB -1.115 18.182 19.000 0.495 0.000 0.823 174 A HN 0.741 nan 8.150 nan 0.000 0.442 175 W N 1.177 122.490 121.300 0.023 0.000 2.335 175 W HA -0.204 4.929 4.660 0.788 0.000 0.311 175 W C 2.016 178.332 176.519 -0.337 0.000 1.213 175 W CA 2.347 59.464 57.345 -0.380 0.000 1.274 175 W CB -0.325 28.755 29.460 -0.633 0.000 1.148 175 W HN 0.402 nan 8.180 nan 0.000 0.498 176 K N -0.492 119.697 120.400 -0.351 0.000 2.057 176 K HA -0.278 4.520 4.320 0.796 0.000 0.206 176 K C 2.256 178.742 176.600 -0.190 0.000 1.050 176 K CA 1.649 57.664 56.287 -0.453 0.000 0.935 176 K CB -1.092 30.954 32.500 -0.755 0.000 0.715 176 K HN 0.108 nan 8.250 nan 0.000 0.439 177 Y N 2.247 122.451 120.300 -0.160 0.000 2.165 177 Y HA -0.254 4.774 4.550 0.796 0.000 0.286 177 Y C 1.543 177.414 175.900 -0.048 0.000 1.155 177 Y CA 2.122 60.184 58.100 -0.063 0.000 1.164 177 Y CB -0.239 38.223 38.460 0.003 0.000 0.978 177 Y HN 0.213 nan 8.280 nan 0.000 0.513 178 D N -0.261 120.133 120.400 -0.010 0.000 2.219 178 D HA -0.119 4.998 4.640 0.796 0.000 0.205 178 D C 2.036 178.187 176.300 -0.248 0.000 0.970 178 D CA 1.290 55.270 54.000 -0.034 0.000 0.851 178 D CB -0.105 40.889 40.800 0.324 0.000 0.943 178 D HN 0.420 nan 8.370 nan 0.000 0.488 179 L N -0.321 120.664 121.223 -0.395 0.000 2.286 179 L HA 0.023 4.840 4.340 0.796 0.000 0.203 179 L C 2.168 178.828 176.870 -0.349 0.000 1.068 179 L CA 0.350 54.883 54.840 -0.511 0.000 0.811 179 L CB 0.108 41.777 42.059 -0.650 0.000 0.989 179 L HN -0.021 nan 8.230 nan 0.000 0.467 180 V N -4.897 114.853 119.914 -0.274 0.000 3.471 180 V HA 0.039 4.637 4.120 0.796 0.000 0.258 180 V C 2.040 178.016 176.094 -0.196 0.000 1.192 180 V CA 1.038 63.221 62.300 -0.195 0.000 1.116 180 V CB -0.260 31.498 31.823 -0.107 0.000 0.792 180 V HN 0.483 nan 8.190 nan 0.000 0.459 181 T N -1.834 112.548 114.554 -0.287 0.000 3.037 181 T HA 0.292 5.120 4.350 0.796 0.000 0.252 181 T C -0.791 173.743 174.700 -0.276 0.000 1.073 181 T CA 0.107 62.027 62.100 -0.300 0.000 1.091 181 T CB -1.003 67.570 68.868 -0.491 0.000 0.935 181 T HN 0.590 nan 8.240 nan 0.000 0.488 182 P HA 0.281 nan 4.420 nan 0.000 0.276 182 P C 0.735 177.951 177.300 -0.140 0.000 1.243 182 P CA 0.018 63.006 63.100 -0.186 0.000 0.768 182 P CB 1.610 33.208 31.700 -0.170 0.000 0.856 183 S N 0.929 116.568 115.700 -0.101 0.000 2.461 183 S HA -0.064 4.884 4.470 0.796 0.000 0.228 183 S C 0.693 175.251 174.600 -0.069 0.000 1.005 183 S CA 0.487 58.640 58.200 -0.079 0.000 0.942 183 S CB -0.279 62.888 63.200 -0.055 0.000 0.776 183 S HN 0.389 nan 8.310 nan 0.000 0.514 184 D N 1.363 121.724 120.400 -0.065 0.000 2.736 184 D HA 0.354 5.471 4.640 0.796 0.000 0.293 184 D C -1.120 175.145 176.300 -0.059 0.000 1.241 184 D CA -0.483 53.487 54.000 -0.049 0.000 0.965 184 D CB 0.334 41.116 40.800 -0.030 0.000 0.992 184 D HN 0.176 nan 8.370 nan 0.000 0.510 185 L N 2.887 124.056 121.223 -0.089 0.000 2.433 185 L HA 0.244 5.062 4.340 0.796 0.000 0.284 185 L C -0.154 176.675 176.870 -0.068 0.000 1.120 185 L CA 0.040 54.813 54.840 -0.112 0.000 0.879 185 L CB -0.014 41.926 42.059 -0.198 0.000 1.232 185 L HN -0.020 nan 8.230 nan 0.000 0.454 186 R N 6.296 126.787 120.500 -0.015 0.000 2.296 186 R HA 0.183 5.000 4.340 0.796 0.000 0.327 186 R C 0.938 177.287 176.300 0.082 0.000 1.137 186 R CA -0.230 55.890 56.100 0.032 0.000 1.020 186 R CB 0.555 30.882 30.300 0.045 0.000 1.110 186 R HN 0.798 nan 8.270 nan 0.000 0.499 187 L N 1.623 122.899 121.223 0.088 0.000 2.141 187 L HA -0.208 4.609 4.340 0.796 0.000 0.209 187 L C 1.951 178.967 176.870 0.243 0.000 1.094 187 L CA 1.321 56.255 54.840 0.156 0.000 0.763 187 L CB -0.165 42.008 42.059 0.191 0.000 0.908 187 L HN 0.552 nan 8.230 nan 0.000 0.437 188 D N -0.324 120.193 120.400 0.194 0.000 2.097 188 D HA -0.274 4.843 4.640 0.796 0.000 0.195 188 D C 1.846 178.236 176.300 0.150 0.000 0.989 188 D CA 1.360 55.465 54.000 0.175 0.000 0.827 188 D CB -0.433 40.439 40.800 0.120 0.000 0.966 188 D HN 0.404 nan 8.370 nan 0.000 0.456 189 Q N -0.659 119.224 119.800 0.138 0.000 2.084 189 Q HA -0.098 4.719 4.340 0.796 0.000 0.202 189 Q C 2.186 178.283 176.000 0.163 0.000 0.978 189 Q CA 1.145 57.021 55.803 0.121 0.000 0.844 189 Q CB -0.347 28.453 28.738 0.103 0.000 0.898 189 Q HN 0.343 nan 8.270 nan 0.000 0.426 190 F N 1.036 121.036 119.950 0.083 0.000 2.069 190 F HA -0.268 4.739 4.527 0.800 0.000 0.298 190 F C 2.059 177.998 175.800 0.232 0.000 1.113 190 F CA 1.365 59.455 58.000 0.150 0.000 1.214 190 F CB -0.075 38.940 39.000 0.025 0.000 0.978 190 F HN 0.017 nan 8.300 nan 0.000 0.474 191 M N 0.476 120.146 119.600 0.118 0.000 2.159 191 M HA -0.173 4.785 4.480 0.796 0.000 0.263 191 M C 2.030 178.309 176.300 -0.035 0.000 1.063 191 M CA 1.574 56.832 55.300 -0.070 0.000 1.110 191 M CB -1.138 31.380 32.600 -0.137 0.000 1.374 191 M HN 0.193 nan 8.290 nan 0.000 0.411 192 K N -0.540 119.873 120.400 0.022 0.000 2.147 192 K HA -0.155 4.643 4.320 0.796 0.000 0.205 192 K C 2.175 178.761 176.600 -0.023 0.000 1.049 192 K CA 1.034 57.334 56.287 0.021 0.000 0.936 192 K CB -0.133 32.389 32.500 0.035 0.000 0.722 192 K HN 0.259 nan 8.250 nan 0.000 0.446 193 R N -0.134 120.321 120.500 -0.074 0.000 2.062 193 R HA -0.127 4.690 4.340 0.796 0.000 0.229 193 R C 1.410 177.495 176.300 -0.358 0.000 1.128 193 R CA 1.576 57.538 56.100 -0.230 0.000 0.960 193 R CB -0.087 30.044 30.300 -0.281 0.000 0.855 193 R HN 0.254 nan 8.270 nan 0.000 0.432 194 W N -0.494 120.716 121.300 -0.151 0.000 2.863 194 W HA 0.281 5.423 4.660 0.803 0.000 0.258 194 W C 0.457 177.138 176.519 0.269 0.000 1.298 194 W CA 0.180 57.563 57.345 0.064 0.000 1.451 194 W CB 0.534 30.031 29.460 0.062 0.000 1.107 194 W HN 0.103 nan 8.180 nan 0.000 0.641 195 A N 1.246 124.246 122.820 0.300 0.000 3.159 195 A HA 0.312 5.109 4.320 0.796 0.000 0.330 195 A C -1.709 175.965 177.584 0.150 0.000 1.032 195 A CA -0.902 51.303 52.037 0.280 0.000 0.841 195 A CB 0.073 19.177 19.000 0.173 0.000 1.093 195 A HN -0.073 nan 8.150 nan 0.000 0.478 196 P HA -0.095 nan 4.420 nan 0.000 0.239 196 P C 0.903 178.250 177.300 0.078 0.000 1.184 196 P CA 1.356 64.495 63.100 0.065 0.000 0.760 196 P CB -0.183 31.534 31.700 0.028 0.000 0.884 197 T N -3.566 111.056 114.554 0.112 0.000 3.044 197 T HA 0.171 4.998 4.350 0.796 0.000 0.250 197 T C 0.997 175.727 174.700 0.049 0.000 1.081 197 T CA -0.310 61.835 62.100 0.076 0.000 1.040 197 T CB -0.410 68.502 68.868 0.074 0.000 0.962 197 T HN -0.012 nan 8.240 nan 0.000 0.506 198 L N 3.728 124.996 121.223 0.075 0.000 2.559 198 L HA 0.172 4.990 4.340 0.796 0.000 0.282 198 L C 1.334 178.246 176.870 0.069 0.000 1.232 198 L CA -0.201 54.692 54.840 0.087 0.000 0.885 198 L CB 0.123 42.254 42.059 0.120 0.000 1.131 198 L HN 0.371 nan 8.230 nan 0.000 0.498 199 T N -1.428 113.167 114.554 0.068 0.000 2.849 199 T HA 0.068 4.896 4.350 0.796 0.000 0.284 199 T C 0.968 175.705 174.700 0.063 0.000 1.004 199 T CA -0.709 61.422 62.100 0.052 0.000 1.021 199 T CB 1.455 70.347 68.868 0.040 0.000 1.013 199 T HN 0.651 nan 8.240 nan 0.000 0.527 200 E N 0.582 120.810 120.200 0.046 0.000 2.085 200 E HA -0.196 4.632 4.350 0.796 0.000 0.194 200 E C 2.309 178.936 176.600 0.043 0.000 0.994 200 E CA 1.489 57.915 56.400 0.043 0.000 0.801 200 E CB -0.506 29.211 29.700 0.028 0.000 0.743 200 E HN 0.828 nan 8.360 nan 0.000 0.453 201 A N 1.037 123.880 122.820 0.039 0.000 1.930 201 A HA -0.190 4.608 4.320 0.796 0.000 0.217 201 A C 1.921 179.529 177.584 0.040 0.000 1.175 201 A CA 1.418 53.473 52.037 0.031 0.000 0.627 201 A CB -0.356 18.664 19.000 0.033 0.000 0.815 201 A HN 0.236 nan 8.150 nan 0.000 0.443 202 E N -0.177 120.078 120.200 0.092 0.000 2.072 202 E HA -0.081 4.747 4.350 0.796 0.000 0.191 202 E C 2.321 179.007 176.600 0.143 0.000 0.985 202 E CA 0.888 57.383 56.400 0.158 0.000 0.801 202 E CB -0.285 29.549 29.700 0.223 0.000 0.750 202 E HN 0.605 nan 8.360 nan 0.000 0.452 203 A N 1.525 124.455 122.820 0.184 0.000 1.902 203 A HA -0.209 4.589 4.320 0.796 0.000 0.217 203 A C 2.346 180.034 177.584 0.173 0.000 1.181 203 A CA 1.958 54.142 52.037 0.245 0.000 0.623 203 A CB -0.640 18.452 19.000 0.152 0.000 0.818 203 A HN 0.333 nan 8.150 nan 0.000 0.443 204 S N 0.043 115.779 115.700 0.060 0.000 2.423 204 S HA 0.102 5.049 4.470 0.796 0.000 0.231 204 S C 2.021 176.580 174.600 -0.068 0.000 1.014 204 S CA 1.136 59.341 58.200 0.009 0.000 0.965 204 S CB -0.599 62.590 63.200 -0.018 0.000 0.785 204 S HN 0.900 nan 8.310 nan 0.000 0.495 205 A N 0.544 123.239 122.820 -0.208 0.000 2.024 205 A HA 0.010 4.807 4.320 0.796 0.000 0.220 205 A C 1.840 179.236 177.584 -0.313 0.000 1.164 205 A CA 1.231 52.988 52.037 -0.466 0.000 0.643 205 A CB -1.002 17.293 19.000 -1.175 0.000 0.806 205 A HN 0.639 nan 8.150 nan 0.000 0.451 206 Y N -0.849 119.433 120.300 -0.031 0.000 2.516 206 Y HA 0.181 5.207 4.550 0.793 0.000 0.291 206 Y C 2.537 178.555 175.900 0.197 0.000 1.131 206 Y CA 0.475 58.686 58.100 0.186 0.000 1.281 206 Y CB -0.154 38.405 38.460 0.165 0.000 1.013 206 Y HN 0.328 nan 8.280 nan 0.000 0.554 207 A N -0.574 122.372 122.820 0.210 0.000 2.147 207 A HA 0.269 5.067 4.320 0.796 0.000 0.211 207 A C 2.344 179.883 177.584 -0.076 0.000 1.160 207 A CA 0.756 52.885 52.037 0.154 0.000 0.781 207 A CB -0.749 18.310 19.000 0.098 0.000 0.842 207 A HN 0.291 nan 8.150 nan 0.000 0.475 208 A N 1.311 124.009 122.820 -0.202 0.000 1.915 208 A HA -0.162 4.635 4.320 0.796 0.000 0.220 208 A C 0.055 177.173 177.584 -0.775 0.000 1.198 208 A CA 2.306 54.069 52.037 -0.458 0.000 0.647 208 A CB -1.773 16.992 19.000 -0.390 0.000 0.825 208 A HN 0.445 nan 8.150 nan 0.000 0.456 209 P HA -0.038 nan 4.420 nan 0.000 0.225 209 P C -0.257 176.313 177.300 -1.215 0.000 1.148 209 P CA 0.761 63.168 63.100 -1.155 0.000 0.779 209 P CB -0.032 30.744 31.700 -1.539 0.000 0.780 210 F N -2.007 117.730 119.950 -0.354 0.000 2.453 210 F HA 0.375 5.375 4.527 0.788 0.000 0.358 210 F C -1.712 173.851 175.800 -0.395 0.000 1.129 210 F CA -2.640 55.158 58.000 -0.337 0.000 1.200 210 F CB 0.546 39.452 39.000 -0.156 0.000 1.431 210 F HN -0.145 nan 8.300 nan 0.000 0.503 211 P HA -0.135 nan 4.420 nan 0.000 0.216 211 P C -0.471 176.757 177.300 -0.121 0.000 1.153 211 P CA 1.720 64.591 63.100 -0.382 0.000 0.858 211 P CB 0.170 31.521 31.700 -0.581 0.000 0.789 212 D N -6.135 114.282 120.400 0.028 0.000 2.677 212 D HA 0.117 5.234 4.640 0.796 0.000 0.298 212 D C 0.632 177.039 176.300 0.178 0.000 1.250 212 D CA -0.468 53.599 54.000 0.110 0.000 0.888 212 D CB -0.304 40.559 40.800 0.104 0.000 1.397 212 D HN -0.215 nan 8.370 nan 0.000 0.461 213 T N -2.407 112.190 114.554 0.071 0.000 2.946 213 T HA -0.214 4.614 4.350 0.796 0.000 0.271 213 T C 1.689 176.402 174.700 0.022 0.000 1.104 213 T CA 1.528 63.635 62.100 0.012 0.000 1.114 213 T CB -0.880 67.966 68.868 -0.038 0.000 0.867 213 T HN 0.500 nan 8.240 nan 0.000 0.513 214 S N 0.050 115.786 115.700 0.060 0.000 2.507 214 S HA -0.025 4.922 4.470 0.796 0.000 0.235 214 S C 1.282 175.813 174.600 -0.115 0.000 0.988 214 S CA 0.080 58.248 58.200 -0.054 0.000 0.944 214 S CB -0.816 62.306 63.200 -0.130 0.000 0.762 214 S HN 0.676 nan 8.310 nan 0.000 0.526 215 Y N 1.322 121.629 120.300 0.012 0.000 2.457 215 Y HA 0.365 5.392 4.550 0.794 0.000 0.263 215 Y C 2.008 177.942 175.900 0.056 0.000 1.164 215 Y CA -0.182 57.971 58.100 0.088 0.000 1.274 215 Y CB -0.012 38.556 38.460 0.181 0.000 1.097 215 Y HN 0.368 nan 8.280 nan 0.000 0.523 216 Q N -0.580 119.209 119.800 -0.020 0.000 2.188 216 Q HA 0.273 5.091 4.340 0.796 0.000 0.212 216 Q C 1.938 177.749 176.000 -0.315 0.000 0.846 216 Q CA 0.204 55.805 55.803 -0.336 0.000 0.989 216 Q CB 0.545 29.031 28.738 -0.419 0.000 1.114 216 Q HN 0.436 nan 8.270 nan 0.000 0.488 217 A N 0.671 123.374 122.820 -0.195 0.000 1.940 217 A HA -0.131 4.667 4.320 0.796 0.000 0.219 217 A C 2.096 179.418 177.584 -0.437 0.000 1.176 217 A CA 1.818 53.751 52.037 -0.173 0.000 0.631 217 A CB -0.813 18.204 19.000 0.029 0.000 0.814 217 A HN 0.492 nan 8.150 nan 0.000 0.446 218 G N -0.928 107.423 108.800 -0.749 0.000 2.421 218 G HA2 -0.020 4.417 3.960 0.796 0.000 0.217 218 G HA3 -0.020 4.417 3.960 0.796 0.000 0.217 218 G C 1.452 175.880 174.900 -0.787 0.000 1.143 218 G CA 1.057 45.355 45.100 -1.336 0.000 0.784 218 G HN 0.308 nan 8.290 nan 0.000 0.541 219 V N 0.488 120.015 119.914 -0.645 0.000 2.427 219 V HA -0.121 4.477 4.120 0.796 0.000 0.248 219 V C 2.938 178.888 176.094 -0.240 0.000 1.051 219 V CA 1.893 63.989 62.300 -0.340 0.000 1.048 219 V CB -0.374 31.104 31.823 -0.576 0.000 0.666 219 V HN 0.246 nan 8.190 nan 0.000 0.456 220 R N -0.251 120.078 120.500 -0.285 0.000 2.090 220 R HA -0.049 4.768 4.340 0.796 0.000 0.228 220 R C 2.439 178.683 176.300 -0.094 0.000 1.110 220 R CA 0.851 56.840 56.100 -0.184 0.000 0.973 220 R CB -0.275 29.921 30.300 -0.173 0.000 0.869 220 R HN 0.218 nan 8.270 nan 0.000 0.440 221 K N -0.222 120.081 120.400 -0.162 0.000 2.097 221 K HA -0.049 4.748 4.320 0.796 0.000 0.205 221 K C 1.774 178.419 176.600 0.075 0.000 1.050 221 K CA 1.067 57.310 56.287 -0.074 0.000 0.938 221 K CB -0.178 32.211 32.500 -0.186 0.000 0.718 221 K HN 0.066 nan 8.250 nan 0.000 0.442 222 F N 1.180 121.087 119.950 -0.071 0.000 2.091 222 F HA -0.140 4.858 4.527 0.784 0.000 0.299 222 F C -0.713 175.295 175.800 0.346 0.000 1.103 222 F CA 0.823 58.765 58.000 -0.097 0.000 1.228 222 F CB -1.743 37.130 39.000 -0.211 0.000 0.984 222 F HN 0.117 nan 8.300 nan 0.000 0.477 223 P HA -0.160 nan 4.420 nan 0.000 0.216 223 P C 1.450 179.141 177.300 0.652 0.000 1.153 223 P CA 1.961 65.482 63.100 0.702 0.000 0.848 223 P CB -0.106 31.789 31.700 0.325 0.000 0.787 224 K N -0.735 119.908 120.400 0.405 0.000 2.097 224 K HA -0.061 4.737 4.320 0.796 0.000 0.206 224 K C 2.100 178.912 176.600 0.353 0.000 1.049 224 K CA 1.411 57.891 56.287 0.321 0.000 0.933 224 K CB -0.493 32.125 32.500 0.197 0.000 0.717 224 K HN 0.198 nan 8.250 nan 0.000 0.442 225 M N 0.562 120.417 119.600 0.426 0.000 2.296 225 M HA -0.112 4.845 4.480 0.796 0.000 0.265 225 M C 2.142 178.761 176.300 0.532 0.000 1.064 225 M CA 1.030 56.620 55.300 0.484 0.000 1.109 225 M CB -0.203 32.733 32.600 0.561 0.000 1.396 225 M HN -0.057 nan 8.290 nan 0.000 0.430 226 V N 0.500 120.777 119.914 0.606 0.000 2.358 226 V HA -0.205 4.392 4.120 0.796 0.000 0.246 226 V C 2.673 178.780 176.094 0.021 0.000 1.047 226 V CA 2.010 64.460 62.300 0.250 0.000 1.035 226 V CB -1.158 30.789 31.823 0.207 0.000 0.658 226 V HN 0.489 nan 8.190 nan 0.000 0.452 227 A N -0.812 122.128 122.820 0.201 0.000 1.898 227 A HA -0.127 4.670 4.320 0.796 0.000 0.216 227 A C 1.566 179.197 177.584 0.078 0.000 1.181 227 A CA 1.041 53.160 52.037 0.136 0.000 0.620 227 A CB -0.225 18.979 19.000 0.341 0.000 0.819 227 A HN 0.603 nan 8.150 nan 0.000 0.442 228 Q N 0.169 120.048 119.800 0.132 0.000 2.644 228 Q HA 0.364 5.182 4.340 0.796 0.000 0.245 228 Q C -1.093 174.967 176.000 0.100 0.000 1.064 228 Q CA -0.252 55.610 55.803 0.098 0.000 0.860 228 Q CB 1.048 29.855 28.738 0.115 0.000 1.145 228 Q HN 0.380 nan 8.270 nan 0.000 0.515 229 R N 1.687 122.211 120.500 0.040 0.000 2.351 229 R HA 0.066 4.884 4.340 0.796 0.000 0.318 229 R C -0.327 175.981 176.300 0.014 0.000 1.055 229 R CA -0.084 56.026 56.100 0.017 0.000 0.968 229 R CB 0.027 30.285 30.300 -0.071 0.000 0.974 229 R HN 0.531 nan 8.270 nan 0.000 0.439 230 D N 1.214 121.640 120.400 0.043 0.000 2.358 230 D HA -0.033 5.085 4.640 0.796 0.000 0.244 230 D C 0.605 176.906 176.300 0.001 0.000 1.163 230 D CA -0.659 53.367 54.000 0.042 0.000 0.945 230 D CB 0.788 41.644 40.800 0.093 0.000 1.152 230 D HN 0.167 nan 8.370 nan 0.000 0.451 231 Q N 0.610 120.418 119.800 0.014 0.000 2.135 231 Q HA -0.207 4.611 4.340 0.796 0.000 0.204 231 Q C 2.129 178.128 176.000 -0.000 0.000 0.981 231 Q CA 1.948 57.753 55.803 0.002 0.000 0.856 231 Q CB -0.819 27.930 28.738 0.017 0.000 0.902 231 Q HN 0.741 nan 8.270 nan 0.000 0.425 232 A N -0.139 122.701 122.820 0.034 0.000 1.902 232 A HA -0.205 4.593 4.320 0.796 0.000 0.217 232 A C 2.543 180.114 177.584 -0.022 0.000 1.181 232 A CA 1.599 53.675 52.037 0.065 0.000 0.623 232 A CB -1.243 17.848 19.000 0.151 0.000 0.818 232 A HN 0.557 nan 8.150 nan 0.000 0.443 233 C N -0.414 118.784 119.300 -0.169 0.000 2.432 233 C HA -0.083 4.854 4.460 0.796 0.000 0.277 233 C C 2.557 177.270 174.990 -0.462 0.000 1.249 233 C CA 1.181 59.777 59.018 -0.702 0.000 1.725 233 C CB -1.416 25.935 27.740 -0.648 0.000 2.028 233 C HN 0.587 nan 8.230 nan 0.000 0.477 234 I N 1.112 121.545 120.570 -0.229 0.000 2.179 234 I HA -0.169 4.479 4.170 0.796 0.000 0.242 234 I C 2.249 178.316 176.117 -0.083 0.000 1.088 234 I CA 2.095 63.310 61.300 -0.142 0.000 1.357 234 I CB -0.614 37.334 38.000 -0.087 0.000 1.051 234 I HN 0.341 nan 8.210 nan 0.000 0.409 235 D N 0.939 121.309 120.400 -0.049 0.000 2.104 235 D HA -0.156 4.961 4.640 0.796 0.000 0.194 235 D C 2.227 178.536 176.300 0.013 0.000 0.994 235 D CA 1.454 55.450 54.000 -0.006 0.000 0.830 235 D CB -0.253 40.556 40.800 0.014 0.000 0.959 235 D HN 0.338 nan 8.370 nan 0.000 0.452 236 I N 0.477 121.059 120.570 0.019 0.000 2.252 236 I HA -0.212 4.435 4.170 0.796 0.000 0.245 236 I C 2.301 178.464 176.117 0.077 0.000 1.102 236 I CA 0.734 62.084 61.300 0.084 0.000 1.385 236 I CB -0.123 38.004 38.000 0.212 0.000 1.064 236 I HN -0.108 nan 8.210 nan 0.000 0.414 237 S N 0.197 115.899 115.700 0.004 0.000 2.368 237 S HA -0.162 4.785 4.470 0.796 0.000 0.225 237 S C 2.054 176.695 174.600 0.069 0.000 1.030 237 S CA 1.954 60.171 58.200 0.029 0.000 0.999 237 S CB -0.331 62.819 63.200 -0.084 0.000 0.844 237 S HN 0.457 nan 8.310 nan 0.000 0.459 238 T N 1.450 116.027 114.554 0.039 0.000 2.821 238 T HA -0.053 4.774 4.350 0.796 0.000 0.267 238 T C 1.760 176.506 174.700 0.076 0.000 1.046 238 T CA 0.980 63.114 62.100 0.055 0.000 1.139 238 T CB -0.182 68.700 68.868 0.023 0.000 0.871 238 T HN 0.477 nan 8.240 nan 0.000 0.454 239 E N 0.895 121.136 120.200 0.069 0.000 2.150 239 E HA -0.065 4.763 4.350 0.796 0.000 0.193 239 E C 2.381 179.042 176.600 0.101 0.000 0.985 239 E CA 0.790 57.234 56.400 0.073 0.000 0.814 239 E CB -0.132 29.601 29.700 0.056 0.000 0.752 239 E HN 0.472 nan 8.360 nan 0.000 0.466 240 A N 1.317 124.212 122.820 0.125 0.000 1.933 240 A HA -0.163 4.635 4.320 0.796 0.000 0.218 240 A C 2.126 179.900 177.584 0.316 0.000 1.175 240 A CA 1.017 53.161 52.037 0.178 0.000 0.628 240 A CB -0.572 18.583 19.000 0.258 0.000 0.814 240 A HN 0.310 nan 8.150 nan 0.000 0.444 241 I N -0.672 120.075 120.570 0.294 0.000 2.151 241 I HA -0.271 4.376 4.170 0.796 0.000 0.243 241 I C 2.848 179.107 176.117 0.236 0.000 1.080 241 I CA 1.771 63.255 61.300 0.307 0.000 1.339 241 I CB -0.296 37.825 38.000 0.201 0.000 1.039 241 I HN 0.431 nan 8.210 nan 0.000 0.409 242 S N 0.332 116.125 115.700 0.155 0.000 2.399 242 S HA -0.219 4.729 4.470 0.796 0.000 0.231 242 S C 2.001 176.642 174.600 0.068 0.000 1.022 242 S CA 1.176 59.436 58.200 0.100 0.000 0.983 242 S CB -0.435 62.811 63.200 0.077 0.000 0.803 242 S HN 0.436 nan 8.310 nan 0.000 0.480 243 F N 0.712 120.613 119.950 -0.083 0.000 2.075 243 F HA -0.055 4.954 4.527 0.803 0.000 0.297 243 F C 1.646 177.306 175.800 -0.232 0.000 1.113 243 F CA 1.773 59.635 58.000 -0.230 0.000 1.218 243 F CB -0.685 38.041 39.000 -0.456 0.000 0.984 243 F HN 0.310 nan 8.300 nan 0.000 0.472 244 W N 0.633 121.959 121.300 0.042 0.000 2.363 244 W HA -0.139 4.994 4.660 0.789 0.000 0.296 244 W C 2.715 179.226 176.519 -0.013 0.000 1.212 244 W CA 1.342 58.665 57.345 -0.036 0.000 1.260 244 W CB -0.644 28.827 29.460 0.018 0.000 1.131 244 W HN 0.117 nan 8.180 nan 0.000 0.530 245 Q N 0.088 120.000 119.800 0.187 0.000 2.020 245 Q HA -0.154 4.664 4.340 0.796 0.000 0.198 245 Q C 1.867 177.893 176.000 0.043 0.000 0.974 245 Q CA 1.388 57.264 55.803 0.122 0.000 0.829 245 Q CB -0.123 28.675 28.738 0.101 0.000 0.894 245 Q HN 0.284 nan 8.270 nan 0.000 0.433 246 N N -0.222 118.463 118.700 -0.024 0.000 2.436 246 N HA -0.038 5.179 4.740 0.796 0.000 0.178 246 N C 0.873 176.305 175.510 -0.129 0.000 1.026 246 N CA 0.829 53.847 53.050 -0.053 0.000 0.880 246 N CB 0.183 38.651 38.487 -0.032 0.000 1.061 246 N HN 0.207 nan 8.380 nan 0.000 0.434 247 D N -0.171 120.059 120.400 -0.282 0.000 2.277 247 D HA -0.059 5.058 4.640 0.796 0.000 0.209 247 D C 0.462 176.489 176.300 -0.454 0.000 0.970 247 D CA -0.052 53.725 54.000 -0.372 0.000 0.874 247 D CB 0.208 40.754 40.800 -0.423 0.000 0.982 247 D HN 0.264 nan 8.370 nan 0.000 0.504 248 W N 2.858 123.630 121.300 -0.880 0.000 2.489 248 W HA 0.004 5.144 4.660 0.801 0.000 0.327 248 W C 0.111 176.506 176.519 -0.206 0.000 1.436 248 W CA 0.187 57.180 57.345 -0.586 0.000 1.315 248 W CB 0.300 29.518 29.460 -0.403 0.000 1.373 248 W HN -0.122 nan 8.180 nan 0.000 0.557 249 N N 4.508 122.804 118.700 -0.675 0.000 2.291 249 N HA 0.089 5.307 4.740 0.796 0.000 0.244 249 N C 0.389 175.408 175.510 -0.820 0.000 1.216 249 N CA -0.091 52.604 53.050 -0.592 0.000 0.879 249 N CB 1.179 39.471 38.487 -0.326 0.000 1.167 249 N HN 0.398 nan 8.380 nan 0.000 0.515 250 G N 0.171 107.958 108.800 -1.689 0.000 2.522 250 G HA2 0.286 4.723 3.960 0.796 0.000 0.304 250 G HA3 0.286 4.723 3.960 0.796 0.000 0.304 250 G C -0.139 174.459 174.900 -0.504 0.000 1.210 250 G CA -0.282 44.066 45.100 -1.253 0.000 0.960 250 G HN 0.082 nan 8.290 nan 0.000 0.497 251 Q N -0.190 119.529 119.800 -0.135 0.000 2.304 251 Q HA 0.342 5.160 4.340 0.796 0.000 0.260 251 Q C -0.443 175.870 176.000 0.522 0.000 0.965 251 Q CA 0.403 56.301 55.803 0.160 0.000 0.898 251 Q CB 0.984 29.702 28.738 -0.033 0.000 1.196 251 Q HN 0.364 nan 8.270 nan 0.000 0.402 252 T N 2.664 117.627 114.554 0.681 0.000 2.841 252 T HA 0.544 5.372 4.350 0.796 0.000 0.283 252 T C -1.340 173.683 174.700 0.539 0.000 1.000 252 T CA -0.489 62.001 62.100 0.649 0.000 0.977 252 T CB 0.658 69.820 68.868 0.490 0.000 0.979 252 T HN 0.379 nan 8.240 nan 0.000 0.446 253 F N 3.497 123.590 119.950 0.238 0.000 2.539 253 F HA 0.710 5.714 4.527 0.794 0.000 0.318 253 F C -0.765 174.989 175.800 -0.077 0.000 1.135 253 F CA -1.106 56.822 58.000 -0.121 0.000 0.915 253 F CB 1.587 40.350 39.000 -0.395 0.000 1.176 253 F HN 0.488 nan 8.300 nan 0.000 0.440 254 M N 5.809 124.953 119.600 -0.760 0.000 2.456 254 M HA 0.833 5.791 4.480 0.796 0.000 0.324 254 M C -1.763 174.127 176.300 -0.683 0.000 1.124 254 M CA -0.507 54.471 55.300 -0.535 0.000 0.959 254 M CB 1.727 34.101 32.600 -0.377 0.000 1.692 254 M HN 0.759 nan 8.290 nan 0.000 0.444 255 A N 6.044 128.653 122.820 -0.352 0.000 2.375 255 A HA 0.702 5.499 4.320 0.796 0.000 0.295 255 A C -1.336 176.135 177.584 -0.190 0.000 1.066 255 A CA -0.669 51.229 52.037 -0.233 0.000 0.722 255 A CB 0.861 19.845 19.000 -0.027 0.000 1.206 255 A HN 0.884 nan 8.150 nan 0.000 0.435 256 I N 2.318 122.763 120.570 -0.208 0.000 2.336 256 I HA 0.408 5.055 4.170 0.796 0.000 0.292 256 I C 1.050 177.066 176.117 -0.169 0.000 0.991 256 I CA -0.560 60.616 61.300 -0.207 0.000 1.227 256 I CB 1.985 39.828 38.000 -0.261 0.000 1.366 256 I HN 0.743 nan 8.210 nan 0.000 0.466 257 G N 6.841 115.542 108.800 -0.164 0.000 2.605 257 G HA2 0.149 4.587 3.960 0.796 0.000 0.301 257 G HA3 0.149 4.587 3.960 0.796 0.000 0.301 257 G C 1.006 175.818 174.900 -0.147 0.000 0.881 257 G CA -0.466 44.532 45.100 -0.171 0.000 1.553 257 G HN 0.521 nan 8.290 nan 0.000 0.483 258 M N 1.597 121.111 119.600 -0.144 0.000 2.279 258 M HA -0.039 4.919 4.480 0.796 0.000 0.264 258 M C 2.109 178.363 176.300 -0.077 0.000 1.062 258 M CA 1.219 56.459 55.300 -0.101 0.000 1.099 258 M CB -0.522 32.028 32.600 -0.083 0.000 1.394 258 M HN 0.443 nan 8.290 nan 0.000 0.426 259 K N -0.051 120.295 120.400 -0.089 0.000 2.487 259 K HA -0.040 4.757 4.320 0.796 0.000 0.192 259 K C 0.131 176.714 176.600 -0.028 0.000 1.027 259 K CA -0.070 56.184 56.287 -0.055 0.000 1.054 259 K CB -0.040 32.424 32.500 -0.060 0.000 0.824 259 K HN 0.149 nan 8.250 nan 0.000 0.510 260 D N 1.561 121.936 120.400 -0.042 0.000 2.339 260 D HA 0.014 5.131 4.640 0.796 0.000 0.256 260 D C 0.517 176.794 176.300 -0.039 0.000 1.214 260 D CA 0.349 54.330 54.000 -0.032 0.000 0.877 260 D CB 0.937 41.698 40.800 -0.064 0.000 1.111 260 D HN -0.075 nan 8.370 nan 0.000 0.478 261 K N 2.738 123.143 120.400 0.009 0.000 2.097 261 K HA -0.109 4.689 4.320 0.796 0.000 0.205 261 K C 1.758 178.347 176.600 -0.019 0.000 1.050 261 K CA 1.232 57.541 56.287 0.036 0.000 0.938 261 K CB -0.052 32.529 32.500 0.136 0.000 0.718 261 K HN 0.482 nan 8.250 nan 0.000 0.442 262 L N -1.885 119.250 121.223 -0.147 0.000 2.121 262 L HA 0.094 4.912 4.340 0.796 0.000 0.200 262 L C 1.314 177.881 176.870 -0.505 0.000 1.077 262 L CA 1.147 55.799 54.840 -0.312 0.000 0.766 262 L CB -0.361 41.402 42.059 -0.494 0.000 0.931 262 L HN -0.099 nan 8.230 nan 0.000 0.452 263 L N 0.963 121.902 121.223 -0.473 0.000 3.108 263 L HA 0.499 5.316 4.340 0.796 0.000 0.251 263 L C 0.880 177.609 176.870 -0.235 0.000 1.315 263 L CA -0.364 54.230 54.840 -0.410 0.000 1.048 263 L CB -0.012 41.827 42.059 -0.366 0.000 1.432 263 L HN 0.410 nan 8.230 nan 0.000 0.543 264 G N 0.307 108.996 108.800 -0.184 0.000 2.714 264 G HA2 0.213 4.651 3.960 0.796 0.000 0.197 264 G HA3 0.213 4.651 3.960 0.796 0.000 0.197 264 G C -1.758 173.069 174.900 -0.121 0.000 1.449 264 G CA -0.485 44.533 45.100 -0.137 0.000 1.065 264 G HN 0.027 nan 8.290 nan 0.000 0.575 265 P HA -0.106 nan 4.420 nan 0.000 0.216 265 P C 1.027 178.376 177.300 0.081 0.000 1.153 265 P CA 1.886 64.965 63.100 -0.035 0.000 0.858 265 P CB -0.119 31.647 31.700 0.110 0.000 0.789 266 D N -1.734 118.710 120.400 0.073 0.000 2.350 266 D HA -0.086 5.031 4.640 0.796 0.000 0.216 266 D C 1.407 177.765 176.300 0.097 0.000 0.968 266 D CA 0.593 54.649 54.000 0.092 0.000 0.894 266 D CB -0.802 40.039 40.800 0.067 0.000 0.909 266 D HN 0.073 nan 8.370 nan 0.000 0.520 267 V N -0.098 119.851 119.914 0.058 0.000 2.672 267 V HA -0.005 4.593 4.120 0.796 0.000 0.242 267 V C 2.089 178.239 176.094 0.094 0.000 1.059 267 V CA 0.638 63.011 62.300 0.122 0.000 1.081 267 V CB -0.025 31.758 31.823 -0.066 0.000 0.752 267 V HN 0.162 nan 8.190 nan 0.000 0.472 268 M N -0.977 118.581 119.600 -0.071 0.000 2.200 268 M HA -0.033 4.924 4.480 0.796 0.000 0.265 268 M C 2.216 178.417 176.300 -0.164 0.000 1.066 268 M CA 1.650 56.842 55.300 -0.182 0.000 1.127 268 M CB -1.033 31.371 32.600 -0.327 0.000 1.379 268 M HN 0.355 nan 8.290 nan 0.000 0.420 269 Y N 0.063 120.358 120.300 -0.008 0.000 2.263 269 Y HA -0.059 4.969 4.550 0.797 0.000 0.292 269 Y C -0.293 175.616 175.900 0.015 0.000 1.130 269 Y CA 0.895 58.990 58.100 -0.009 0.000 1.179 269 Y CB -2.318 36.132 38.460 -0.018 0.000 0.998 269 Y HN 0.226 nan 8.280 nan 0.000 0.532 270 P HA -0.244 nan 4.420 nan 0.000 0.214 270 P C 1.869 179.295 177.300 0.209 0.000 1.163 270 P CA 1.631 64.814 63.100 0.139 0.000 0.889 270 P CB -0.048 31.693 31.700 0.069 0.000 0.790 271 M N -0.189 119.563 119.600 0.253 0.000 2.108 271 M HA -0.187 4.770 4.480 0.796 0.000 0.261 271 M C 2.021 178.324 176.300 0.005 0.000 1.066 271 M CA 1.786 57.151 55.300 0.109 0.000 1.107 271 M CB -1.073 31.465 32.600 -0.104 0.000 1.356 271 M HN -0.244 nan 8.290 nan 0.000 0.406 272 K N -0.632 119.765 120.400 -0.006 0.000 2.020 272 K HA -0.189 4.609 4.320 0.796 0.000 0.212 272 K C 1.787 178.422 176.600 0.058 0.000 1.050 272 K CA 1.836 58.126 56.287 0.004 0.000 0.929 272 K CB -0.382 32.138 32.500 0.032 0.000 0.714 272 K HN 0.376 nan 8.250 nan 0.000 0.443 273 A N 1.027 123.898 122.820 0.084 0.000 2.024 273 A HA -0.117 4.680 4.320 0.796 0.000 0.220 273 A C 2.008 179.643 177.584 0.086 0.000 1.164 273 A CA 1.357 53.442 52.037 0.080 0.000 0.643 273 A CB -0.423 18.617 19.000 0.068 0.000 0.806 273 A HN 0.375 nan 8.150 nan 0.000 0.451 274 L N -0.996 120.287 121.223 0.099 0.000 2.416 274 L HA 0.224 5.041 4.340 0.796 0.000 0.216 274 L C 0.144 177.112 176.870 0.163 0.000 1.098 274 L CA 0.010 54.928 54.840 0.130 0.000 0.840 274 L CB -0.119 42.036 42.059 0.159 0.000 0.981 274 L HN 0.220 nan 8.230 nan 0.000 0.462 275 I N 1.241 121.881 120.570 0.118 0.000 2.301 275 I HA 0.050 4.698 4.170 0.796 0.000 0.292 275 I C 0.194 176.460 176.117 0.249 0.000 1.046 275 I CA -0.501 60.907 61.300 0.181 0.000 1.282 275 I CB 0.469 38.473 38.000 0.007 0.000 1.409 275 I HN 0.051 nan 8.210 nan 0.000 0.484 276 N N 5.235 124.131 118.700 0.326 0.000 2.301 276 N HA -0.033 5.185 4.740 0.796 0.000 0.267 276 N C 1.138 176.817 175.510 0.281 0.000 1.304 276 N CA 1.572 54.779 53.050 0.262 0.000 0.851 276 N CB 0.491 39.116 38.487 0.230 0.000 1.070 276 N HN 0.873 nan 8.380 nan 0.000 0.483 277 G N 2.532 111.438 108.800 0.177 0.000 2.166 277 G HA2 -0.300 4.138 3.960 0.796 0.000 0.260 277 G HA3 -0.300 4.138 3.960 0.796 0.000 0.260 277 G C 0.549 175.567 174.900 0.196 0.000 0.986 277 G CA 0.321 45.518 45.100 0.161 0.000 0.683 277 G HN 0.852 nan 8.290 nan 0.000 0.527 278 C N 3.162 122.575 119.300 0.188 0.000 2.648 278 C HA 0.479 5.416 4.460 0.796 0.000 0.406 278 C C 0.099 175.143 174.990 0.090 0.000 1.406 278 C CA -1.050 58.050 59.018 0.137 0.000 1.610 278 C CB -0.178 27.605 27.740 0.073 0.000 2.451 278 C HN 0.565 nan 8.230 nan 0.000 0.608 279 P HA 0.129 nan 4.420 nan 0.000 0.293 279 P C -0.504 176.790 177.300 -0.011 0.000 1.298 279 P CA -0.086 63.048 63.100 0.058 0.000 0.757 279 P CB 0.354 32.122 31.700 0.113 0.000 1.262 280 E N 1.119 121.321 120.200 0.004 0.000 2.415 280 E HA 0.068 4.895 4.350 0.796 0.000 0.260 280 E C -1.575 174.953 176.600 -0.120 0.000 1.016 280 E CA -0.982 55.412 56.400 -0.010 0.000 0.924 280 E CB -0.332 29.381 29.700 0.022 0.000 0.961 280 E HN 0.335 nan 8.360 nan 0.000 0.459 281 P HA -0.033 nan 4.420 nan 0.000 0.268 281 P C -0.319 176.836 177.300 -0.240 0.000 1.204 281 P CA -0.341 62.593 63.100 -0.277 0.000 0.768 281 P CB 0.532 32.052 31.700 -0.301 0.000 0.842 282 L N 3.497 124.514 121.223 -0.342 0.000 2.385 282 L HA 0.138 4.956 4.340 0.796 0.000 0.281 282 L C 0.224 177.014 176.870 -0.134 0.000 1.106 282 L CA 0.338 55.078 54.840 -0.168 0.000 0.856 282 L CB -0.514 41.496 42.059 -0.081 0.000 1.186 282 L HN 0.285 nan 8.230 nan 0.000 0.453 283 E N 6.206 126.355 120.200 -0.085 0.000 2.001 283 E HA 0.193 5.021 4.350 0.796 0.000 0.279 283 E C -0.628 175.931 176.600 -0.070 0.000 1.045 283 E CA -0.292 56.057 56.400 -0.085 0.000 0.833 283 E CB 0.580 30.253 29.700 -0.045 0.000 1.077 283 E HN 0.521 nan 8.360 nan 0.000 0.397 284 I N 3.096 123.608 120.570 -0.096 0.000 2.329 284 I HA 0.017 4.665 4.170 0.796 0.000 0.295 284 I C 1.357 177.372 176.117 -0.170 0.000 1.109 284 I CA 0.251 61.482 61.300 -0.116 0.000 1.297 284 I CB 1.024 38.938 38.000 -0.143 0.000 1.433 284 I HN 0.587 nan 8.210 nan 0.000 0.509 285 A N 4.183 126.934 122.820 -0.116 0.000 1.978 285 A HA -0.176 4.621 4.320 0.796 0.000 0.220 285 A C 1.741 179.235 177.584 -0.150 0.000 1.170 285 A CA 1.652 53.627 52.037 -0.103 0.000 0.636 285 A CB -0.279 18.692 19.000 -0.049 0.000 0.810 285 A HN 0.671 nan 8.150 nan 0.000 0.448 286 D N -0.688 119.575 120.400 -0.230 0.000 2.350 286 D HA 0.315 5.432 4.640 0.796 0.000 0.213 286 D C 0.600 176.508 176.300 -0.653 0.000 1.031 286 D CA 0.765 54.597 54.000 -0.280 0.000 0.861 286 D CB 0.095 40.857 40.800 -0.064 0.000 0.926 286 D HN 0.406 nan 8.370 nan 0.000 0.520 287 A N 0.381 122.694 122.820 -0.845 0.000 2.331 287 A HA 0.614 5.412 4.320 0.796 0.000 0.283 287 A C 1.002 178.395 177.584 -0.318 0.000 1.142 287 A CA -0.180 51.328 52.037 -0.881 0.000 0.812 287 A CB 1.000 19.525 19.000 -0.792 0.000 1.074 287 A HN 0.135 nan 8.150 nan 0.000 0.497 288 G N -0.270 108.451 108.800 -0.132 0.000 2.975 288 G HA2 0.258 4.695 3.960 0.796 0.000 0.159 288 G HA3 0.258 4.695 3.960 0.796 0.000 0.159 288 G C 0.905 175.794 174.900 -0.018 0.000 1.525 288 G CA 0.592 45.686 45.100 -0.011 0.000 1.075 288 G HN 0.901 nan 8.290 nan 0.000 0.574 289 H N -0.510 118.473 119.070 -0.147 0.000 2.389 289 H HA 0.076 5.108 4.556 0.793 0.000 0.299 289 H C 0.568 175.619 175.328 -0.461 0.000 1.081 289 H CA 0.614 56.417 56.048 -0.408 0.000 1.345 289 H CB -0.291 29.068 29.762 -0.672 0.000 1.393 289 H HN 0.141 nan 8.280 nan 0.000 0.520 290 F N 0.818 120.770 119.950 0.003 0.000 2.541 290 F HA 0.169 5.171 4.527 0.792 0.000 0.351 290 F C 1.196 177.011 175.800 0.025 0.000 1.209 290 F CA -0.369 57.606 58.000 -0.042 0.000 1.277 290 F CB 0.207 39.246 39.000 0.065 0.000 1.632 290 F HN -0.080 nan 8.300 nan 0.000 0.619 291 V N 0.801 120.739 119.914 0.039 0.000 2.594 291 V HA -0.280 4.318 4.120 0.796 0.000 0.253 291 V C 1.916 178.102 176.094 0.154 0.000 1.069 291 V CA 1.592 63.936 62.300 0.073 0.000 1.082 291 V CB -0.681 31.129 31.823 -0.022 0.000 0.680 291 V HN 0.556 nan 8.190 nan 0.000 0.469 292 Q N -0.178 119.670 119.800 0.080 0.000 2.364 292 Q HA -0.135 4.682 4.340 0.796 0.000 0.209 292 Q C 2.112 178.144 176.000 0.053 0.000 0.977 292 Q CA 0.910 56.718 55.803 0.009 0.000 0.885 292 Q CB -0.228 28.381 28.738 -0.216 0.000 0.941 292 Q HN 0.548 nan 8.270 nan 0.000 0.464 293 E N -0.543 119.754 120.200 0.161 0.000 2.347 293 E HA -0.073 4.754 4.350 0.796 0.000 0.196 293 E C -0.041 176.533 176.600 -0.042 0.000 1.008 293 E CA 0.652 57.112 56.400 0.101 0.000 0.852 293 E CB 0.160 29.975 29.700 0.191 0.000 0.783 293 E HN 0.372 nan 8.360 nan 0.000 0.505 294 F N -0.243 119.717 119.950 0.018 0.000 2.925 294 F HA 0.309 5.313 4.527 0.795 0.000 0.302 294 F C 1.731 177.525 175.800 -0.010 0.000 1.189 294 F CA -0.368 57.636 58.000 0.006 0.000 1.346 294 F CB 0.490 39.499 39.000 0.016 0.000 0.954 294 F HN -0.099 nan 8.300 nan 0.000 0.506 295 G N -0.471 108.370 108.800 0.069 0.000 2.511 295 G HA2 -0.180 4.257 3.960 0.796 0.000 0.217 295 G HA3 -0.180 4.257 3.960 0.796 0.000 0.217 295 G C 1.539 176.406 174.900 -0.055 0.000 1.133 295 G CA 0.348 45.458 45.100 0.016 0.000 0.792 295 G HN 0.401 nan 8.290 nan 0.000 0.539 296 E N 0.098 120.254 120.200 -0.074 0.000 2.077 296 E HA -0.176 4.651 4.350 0.796 0.000 0.193 296 E C 2.337 178.893 176.600 -0.073 0.000 0.989 296 E CA 1.320 57.656 56.400 -0.107 0.000 0.800 296 E CB -0.144 29.499 29.700 -0.094 0.000 0.746 296 E HN 0.583 nan 8.360 nan 0.000 0.452 297 Q N -0.093 119.702 119.800 -0.008 0.000 2.020 297 Q HA -0.160 4.657 4.340 0.796 0.000 0.202 297 Q C 2.214 178.230 176.000 0.026 0.000 0.982 297 Q CA 1.953 57.771 55.803 0.025 0.000 0.838 297 Q CB 0.047 28.836 28.738 0.084 0.000 0.899 297 Q HN 0.265 nan 8.270 nan 0.000 0.423 298 V N 1.288 121.239 119.914 0.062 0.000 2.287 298 V HA -0.309 4.288 4.120 0.796 0.000 0.248 298 V C 2.437 178.538 176.094 0.010 0.000 1.053 298 V CA 1.941 64.306 62.300 0.108 0.000 1.027 298 V CB -1.263 30.654 31.823 0.157 0.000 0.646 298 V HN 0.522 nan 8.190 nan 0.000 0.447 299 A N -0.068 122.709 122.820 -0.073 0.000 1.877 299 A HA -0.213 4.584 4.320 0.796 0.000 0.216 299 A C 2.401 179.904 177.584 -0.134 0.000 1.186 299 A CA 1.859 53.787 52.037 -0.182 0.000 0.620 299 A CB -0.499 18.111 19.000 -0.651 0.000 0.822 299 A HN 0.504 nan 8.150 nan 0.000 0.443 300 R N -0.459 119.957 120.500 -0.141 0.000 2.081 300 R HA -0.098 4.720 4.340 0.796 0.000 0.235 300 R C 2.069 178.295 176.300 -0.123 0.000 1.131 300 R CA 1.361 57.399 56.100 -0.103 0.000 0.960 300 R CB -0.284 29.971 30.300 -0.075 0.000 0.856 300 R HN 0.527 nan 8.270 nan 0.000 0.436 301 E N 0.577 120.685 120.200 -0.153 0.000 2.106 301 E HA -0.140 4.688 4.350 0.796 0.000 0.192 301 E C 1.985 178.196 176.600 -0.647 0.000 0.984 301 E CA 1.229 57.502 56.400 -0.213 0.000 0.806 301 E CB -0.141 29.547 29.700 -0.020 0.000 0.750 301 E HN 0.339 nan 8.360 nan 0.000 0.458 302 A N 1.385 123.605 122.820 -1.001 0.000 1.873 302 A HA -0.105 4.692 4.320 0.796 0.000 0.215 302 A C 2.381 179.533 177.584 -0.721 0.000 1.186 302 A CA 0.941 52.078 52.037 -1.499 0.000 0.616 302 A CB -0.687 17.774 19.000 -0.898 0.000 0.823 302 A HN 0.150 nan 8.150 nan 0.000 0.442 303 L N -0.740 120.358 121.223 -0.210 0.000 2.093 303 L HA -0.179 4.638 4.340 0.796 0.000 0.208 303 L C 2.631 179.518 176.870 0.028 0.000 1.085 303 L CA 1.835 56.711 54.840 0.060 0.000 0.755 303 L CB -0.423 41.709 42.059 0.122 0.000 0.904 303 L HN 0.455 nan 8.230 nan 0.000 0.435 304 K N -0.668 119.702 120.400 -0.050 0.000 2.026 304 K HA -0.248 4.549 4.320 0.796 0.000 0.208 304 K C 2.357 178.964 176.600 0.012 0.000 1.048 304 K CA 1.334 57.616 56.287 -0.009 0.000 0.929 304 K CB -0.222 32.269 32.500 -0.016 0.000 0.713 304 K HN 0.329 nan 8.250 nan 0.000 0.439 305 H N -0.356 118.633 119.070 -0.134 0.000 2.290 305 H HA -0.170 4.863 4.556 0.796 0.000 0.298 305 H C 1.899 177.287 175.328 0.099 0.000 1.087 305 H CA 2.117 58.139 56.048 -0.043 0.000 1.291 305 H CB -0.095 29.610 29.762 -0.094 0.000 1.369 305 H HN 0.162 nan 8.280 nan 0.000 0.492 306 F N 0.906 120.909 119.950 0.087 0.000 2.171 306 F HA -0.084 4.919 4.527 0.794 0.000 0.300 306 F C 3.014 178.804 175.800 -0.017 0.000 1.090 306 F CA 0.943 58.973 58.000 0.051 0.000 1.293 306 F CB -1.259 37.813 39.000 0.120 0.000 1.013 306 F HN 0.272 nan 8.300 nan 0.000 0.486 307 A N -0.225 122.706 122.820 0.186 0.000 1.898 307 A HA -0.151 4.646 4.320 0.796 0.000 0.216 307 A C 1.742 179.350 177.584 0.039 0.000 1.181 307 A CA 1.217 53.312 52.037 0.097 0.000 0.620 307 A CB -0.736 18.312 19.000 0.080 0.000 0.819 307 A HN 0.406 nan 8.150 nan 0.000 0.442 308 E N -0.554 119.649 120.200 0.006 0.000 2.320 308 E HA 0.124 4.951 4.350 0.796 0.000 0.189 308 E C 0.335 176.899 176.600 -0.060 0.000 1.100 308 E CA 0.382 56.769 56.400 -0.022 0.000 1.009 308 E CB 0.089 29.779 29.700 -0.018 0.000 1.145 308 E HN 0.581 nan 8.360 nan 0.000 0.454 309 T N -1.038 113.487 114.554 -0.050 0.000 3.511 309 T HA 0.026 4.854 4.350 0.796 0.000 0.220 309 T C -0.513 174.180 174.700 -0.013 0.000 0.962 309 T CA -0.428 61.642 62.100 -0.049 0.000 1.099 309 T CB 0.730 69.538 68.868 -0.101 0.000 1.197 309 T HN -0.003 nan 8.240 nan 0.000 0.343 310 E N 0.000 120.201 120.200 0.002 0.000 2.725 310 E HA 0.000 4.828 4.350 0.796 0.000 0.291 310 E CA 0.000 56.387 56.400 -0.022 0.000 0.976 310 E CB 0.000 29.688 29.700 -0.019 0.000 0.812 310 E HN 0.000 nan 8.360 nan 0.000 0.440