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 3nid_1_A DATA FIRST_RESID 1 DATA SEQUENCE LNLDPVQLTF YAGPNGSQFG FSLDFHKDSH GRVAIVVGAP RTLGPSQEET DATA SEQUENCE GGVFLcPWRA EGGQcPSLLF DLRDETRNVG SQTLQTFKAR QGLGASVVSW DATA SEQUENCE SDVIVAcAPW QHWNVLEKTE EAEKTPVGSc FLAQPESGRR AEYSPcRGNT DATA SEQUENCE LSRIYVENDF SWDKRYcEAG FSSVVTQAGE LVLGAPGGYY FLGLLAQAPV DATA SEQUENCE ADIFSSYRPG ILLWHVSSQS LSFDSSNPEY FDGYWGYSVA VGEFDGDLNT DATA SEQUENCE TEYVVGAPTW SWTLGAVEIL DSYYQRLHRL RGEQMASYFG HSVAVTDVNG DATA SEQUENCE DGRHDLLVGA PLYMESRADR KLAEVGRVYL FLQPRGPHAL GAPSLLLTGT DATA SEQUENCE QLYGRFGSAI APLGDLDRDG YNDIAVAAPY GGPSGRGQVL VFLGQSEGLR DATA SEQUENCE SRPSQVLDSP FPTGSAFGFS LRGAVDIDDN GYPDLIVGAY GANQVAVYRA DATA SEQUENCE QPVV 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 L HA 0.000 nan 4.340 nan 0.000 0.249 1 L C 0.000 176.865 176.870 -0.009 0.000 1.165 1 L CA 0.000 54.833 54.840 -0.012 0.000 0.813 1 L CB 0.000 42.063 42.059 0.007 0.000 0.961 2 N N 0.587 119.287 118.700 -0.001 0.000 2.282 2 N HA 0.225 4.965 4.740 -0.000 0.000 0.240 2 N C -0.346 175.152 175.510 -0.020 0.000 1.182 2 N CA -0.217 52.821 53.050 -0.021 0.000 0.874 2 N CB 0.334 38.798 38.487 -0.038 0.000 1.126 2 N HN 0.336 nan 8.380 nan 0.000 0.516 3 L N 0.951 122.181 121.223 0.011 0.000 2.426 3 L HA 0.120 4.460 4.340 -0.000 0.000 0.271 3 L C 0.331 177.248 176.870 0.078 0.000 1.169 3 L CA -0.193 54.680 54.840 0.055 0.000 0.836 3 L CB 0.481 42.574 42.059 0.057 0.000 1.112 3 L HN 0.017 nan 8.230 nan 0.000 0.465 4 D N 4.727 125.191 120.400 0.106 0.000 2.347 4 D HA 0.169 4.809 4.640 -0.000 0.000 0.235 4 D C -1.811 174.587 176.300 0.163 0.000 1.149 4 D CA -1.921 52.131 54.000 0.088 0.000 0.850 4 D CB 1.250 42.074 40.800 0.040 0.000 1.061 4 D HN 0.193 nan 8.370 nan 0.000 0.487 5 P HA 0.060 nan 4.420 nan 0.000 0.266 5 P C 0.712 178.057 177.300 0.075 0.000 1.381 5 P CA -0.063 63.155 63.100 0.197 0.000 0.940 5 P CB 0.755 32.560 31.700 0.176 0.000 1.435 6 V N -0.259 119.675 119.914 0.033 0.000 2.521 6 V HA 0.065 4.185 4.120 -0.000 0.000 0.239 6 V C 1.192 177.274 176.094 -0.020 0.000 1.053 6 V CA 1.172 63.476 62.300 0.006 0.000 1.073 6 V CB -0.720 31.107 31.823 0.006 0.000 0.746 6 V HN 0.071 nan 8.190 nan 0.000 0.476 7 Q N 0.879 120.660 119.800 -0.031 0.000 2.509 7 Q HA 0.502 4.842 4.340 -0.000 0.000 0.236 7 Q C -0.942 174.984 176.000 -0.122 0.000 1.073 7 Q CA -0.051 55.720 55.803 -0.054 0.000 0.867 7 Q CB 0.916 29.640 28.738 -0.023 0.000 1.181 7 Q HN 0.467 nan 8.270 nan 0.000 0.526 8 L N 0.466 121.544 121.223 -0.242 0.000 2.431 8 L HA 0.593 4.933 4.340 -0.000 0.000 0.260 8 L C 0.242 176.804 176.870 -0.514 0.000 1.098 8 L CA -0.639 53.902 54.840 -0.498 0.000 0.800 8 L CB 1.528 43.064 42.059 -0.871 0.000 1.210 8 L HN 0.325 nan 8.230 nan 0.000 0.465 9 T N 0.678 114.884 114.554 -0.581 0.000 2.824 9 T HA 0.571 4.921 4.350 -0.000 0.000 0.282 9 T C -0.882 173.466 174.700 -0.586 0.000 0.993 9 T CA -0.286 61.553 62.100 -0.434 0.000 0.967 9 T CB 0.832 69.636 68.868 -0.106 0.000 0.960 9 T HN 0.121 nan 8.240 nan 0.000 0.441 10 F N 2.270 122.144 119.950 -0.128 0.000 2.482 10 F HA 0.584 5.111 4.527 -0.000 0.000 0.331 10 F C -0.465 175.249 175.800 -0.144 0.000 1.115 10 F CA -1.020 56.979 58.000 -0.002 0.000 0.955 10 F CB 1.312 40.343 39.000 0.052 0.000 1.136 10 F HN 0.488 nan 8.300 nan 0.000 0.452 11 Y N 1.575 122.072 120.300 0.328 0.000 2.446 11 Y HA 0.752 5.302 4.550 -0.000 0.000 0.338 11 Y C -0.039 175.918 175.900 0.096 0.000 1.055 11 Y CA -1.104 57.124 58.100 0.212 0.000 1.101 11 Y CB 2.032 40.677 38.460 0.308 0.000 1.221 11 Y HN 0.645 nan 8.280 nan 0.000 0.460 12 A N 1.258 123.998 122.820 -0.133 0.000 2.414 12 A HA 0.842 5.162 4.320 -0.000 0.000 0.306 12 A C -0.302 176.594 177.584 -1.147 0.000 1.054 12 A CA -0.195 51.545 52.037 -0.494 0.000 0.724 12 A CB 1.051 19.913 19.000 -0.231 0.000 1.267 12 A HN 0.875 nan 8.150 nan 0.000 0.418 13 G N 0.486 108.400 108.800 -1.477 0.000 2.887 13 G HA2 0.737 4.697 3.960 -0.000 0.000 0.277 13 G HA3 0.737 4.697 3.960 -0.000 0.000 0.277 13 G C -3.026 171.587 174.900 -0.477 0.000 1.346 13 G CA -1.828 42.529 45.100 -1.238 0.000 1.058 13 G HN 0.509 nan 8.290 nan 0.000 0.535 14 P HA 0.113 nan 4.420 nan 0.000 0.269 14 P C -0.402 176.872 177.300 -0.044 0.000 1.209 14 P CA -0.505 62.542 63.100 -0.088 0.000 0.776 14 P CB 0.418 32.131 31.700 0.021 0.000 0.876 15 N N 1.548 120.228 118.700 -0.034 0.000 2.357 15 N HA 0.159 4.899 4.740 -0.000 0.000 0.257 15 N C 1.608 177.129 175.510 0.018 0.000 1.250 15 N CA 1.694 54.737 53.050 -0.013 0.000 0.862 15 N CB -0.404 38.075 38.487 -0.014 0.000 1.066 15 N HN 0.764 nan 8.380 nan 0.000 0.468 16 G N 0.396 109.216 108.800 0.032 0.000 2.184 16 G HA2 -0.349 3.611 3.960 -0.000 0.000 0.264 16 G HA3 -0.349 3.611 3.960 -0.000 0.000 0.264 16 G C 0.961 175.903 174.900 0.071 0.000 0.975 16 G CA 0.858 45.986 45.100 0.047 0.000 0.642 16 G HN 0.710 nan 8.290 nan 0.000 0.536 17 S N -0.600 115.159 115.700 0.099 0.000 2.496 17 S HA 0.183 4.653 4.470 -0.000 0.000 0.224 17 S C 1.285 175.986 174.600 0.169 0.000 0.996 17 S CA 1.248 59.534 58.200 0.144 0.000 0.927 17 S CB -0.154 63.167 63.200 0.201 0.000 0.774 17 S HN 1.078 nan 8.310 nan 0.000 0.524 18 Q N -0.332 119.587 119.800 0.198 0.000 2.480 18 Q HA -0.201 4.139 4.340 -0.000 0.000 0.265 18 Q C -0.467 175.723 176.000 0.317 0.000 1.072 18 Q CA 0.499 56.468 55.803 0.277 0.000 1.018 18 Q CB -2.434 26.396 28.738 0.154 0.000 1.433 18 Q HN 0.732 nan 8.270 nan 0.000 0.513 19 F N 0.824 120.858 119.950 0.140 0.000 2.580 19 F HA 0.146 4.673 4.527 -0.000 0.000 0.398 19 F C 1.466 177.355 175.800 0.149 0.000 1.023 19 F CA 2.213 60.285 58.000 0.120 0.000 1.188 19 F CB 0.258 39.251 39.000 -0.012 0.000 1.005 19 F HN 0.311 nan 8.300 nan 0.000 0.546 20 G N 4.855 113.575 108.800 -0.133 0.000 2.184 20 G HA2 -0.362 3.598 3.960 -0.000 0.000 0.206 20 G HA3 -0.362 3.598 3.960 -0.000 0.000 0.206 20 G C 0.682 175.685 174.900 0.172 0.000 0.995 20 G CA 0.104 45.200 45.100 -0.007 0.000 0.651 20 G HN 0.738 nan 8.290 nan 0.000 0.511 21 F N 2.583 122.577 119.950 0.074 0.000 2.171 21 F HA 0.214 4.741 4.527 -0.000 0.000 0.300 21 F C 1.591 177.464 175.800 0.121 0.000 1.090 21 F CA 2.279 60.323 58.000 0.073 0.000 1.293 21 F CB 0.166 39.098 39.000 -0.114 0.000 1.013 21 F HN 0.549 nan 8.300 nan 0.000 0.486 22 S N 0.025 115.831 115.700 0.177 0.000 2.569 22 S HA 0.742 5.212 4.470 -0.000 0.000 0.280 22 S C -1.218 173.361 174.600 -0.034 0.000 1.111 22 S CA -0.536 57.690 58.200 0.045 0.000 0.887 22 S CB 2.451 65.702 63.200 0.085 0.000 1.095 22 S HN 0.279 nan 8.310 nan 0.000 0.476 23 L N -1.236 119.945 121.223 -0.070 0.000 2.775 23 L HA 0.977 5.317 4.340 -0.000 0.000 0.263 23 L C -1.487 175.313 176.870 -0.116 0.000 1.017 23 L CA -0.590 54.181 54.840 -0.116 0.000 0.891 23 L CB 0.797 42.759 42.059 -0.162 0.000 1.482 23 L HN 0.811 nan 8.230 nan 0.000 0.410 24 D N -0.644 119.672 120.400 -0.139 0.000 2.623 24 D HA 0.595 5.235 4.640 -0.000 0.000 0.241 24 D C -1.570 174.644 176.300 -0.144 0.000 1.241 24 D CA -0.259 53.678 54.000 -0.105 0.000 0.788 24 D CB 1.598 42.415 40.800 0.029 0.000 1.413 24 D HN 0.385 nan 8.370 nan 0.000 0.429 25 F N 1.194 121.177 119.950 0.056 0.000 2.418 25 F HA 0.366 4.893 4.527 -0.000 0.000 0.341 25 F C 0.571 176.441 175.800 0.117 0.000 1.120 25 F CA -0.016 58.022 58.000 0.063 0.000 1.232 25 F CB 0.773 39.785 39.000 0.022 0.000 1.175 25 F HN 0.242 nan 8.300 nan 0.000 0.569 26 H N 2.244 121.435 119.070 0.200 0.000 2.689 26 H HA 0.430 4.986 4.556 -0.000 0.000 0.346 26 H C -1.349 174.036 175.328 0.094 0.000 1.037 26 H CA -0.960 55.160 56.048 0.119 0.000 1.234 26 H CB 1.007 30.823 29.762 0.089 0.000 1.572 26 H HN 0.509 nan 8.280 nan 0.000 0.524 27 K N 4.050 124.151 120.400 -0.497 0.000 2.185 27 K HA 0.211 4.531 4.320 -0.000 0.000 0.269 27 K C -0.507 175.726 176.600 -0.611 0.000 0.987 27 K CA -1.036 55.016 56.287 -0.391 0.000 0.865 27 K CB 1.259 33.615 32.500 -0.239 0.000 1.090 27 K HN 0.755 nan 8.250 nan 0.000 0.450 28 D N 0.570 120.780 120.400 -0.316 0.000 2.433 28 D HA -0.050 4.590 4.640 -0.000 0.000 0.255 28 D C 0.969 177.164 176.300 -0.175 0.000 1.226 28 D CA -0.543 53.351 54.000 -0.177 0.000 1.015 28 D CB 0.545 41.364 40.800 0.032 0.000 1.091 28 D HN 0.384 nan 8.370 nan 0.000 0.527 29 S N -1.203 114.376 115.700 -0.202 0.000 2.469 29 S HA -0.224 4.246 4.470 -0.000 0.000 0.238 29 S C 0.939 175.298 174.600 -0.402 0.000 0.998 29 S CA 0.961 58.963 58.200 -0.331 0.000 0.957 29 S CB -0.893 62.068 63.200 -0.399 0.000 0.764 29 S HN 0.613 nan 8.310 nan 0.000 0.514 30 H N 0.366 119.400 119.070 -0.059 0.000 2.549 30 H HA 0.464 5.020 4.556 -0.000 0.000 0.279 30 H C 1.645 176.943 175.328 -0.051 0.000 1.018 30 H CA 0.059 56.080 56.048 -0.045 0.000 1.175 30 H CB 0.227 29.976 29.762 -0.022 0.000 1.485 30 H HN 0.490 nan 8.280 nan 0.000 0.543 31 G N 1.377 110.172 108.800 -0.008 0.000 2.184 31 G HA2 -0.386 3.574 3.960 -0.000 0.000 0.264 31 G HA3 -0.386 3.574 3.960 -0.000 0.000 0.264 31 G C 0.537 175.430 174.900 -0.012 0.000 0.975 31 G CA 0.162 45.240 45.100 -0.036 0.000 0.642 31 G HN 0.400 nan 8.290 nan 0.000 0.536 32 R N 0.522 121.043 120.500 0.034 0.000 2.421 32 R HA 0.467 4.807 4.340 -0.000 0.000 0.305 32 R C 0.395 176.722 176.300 0.045 0.000 1.039 32 R CA -0.002 56.133 56.100 0.059 0.000 1.003 32 R CB 0.520 30.879 30.300 0.099 0.000 0.959 32 R HN 0.179 nan 8.270 nan 0.000 0.427 33 V N 4.897 124.846 119.914 0.058 0.000 2.461 33 V HA 0.596 4.716 4.120 -0.000 0.000 0.275 33 V C 0.450 176.659 176.094 0.191 0.000 1.047 33 V CA -0.023 62.326 62.300 0.082 0.000 0.955 33 V CB 0.869 32.708 31.823 0.025 0.000 0.988 33 V HN 0.969 nan 8.190 nan 0.000 0.471 34 A N 5.696 128.647 122.820 0.219 0.000 2.387 34 A HA 0.924 5.244 4.320 -0.000 0.000 0.298 34 A C -0.778 176.932 177.584 0.210 0.000 1.165 34 A CA -0.789 51.392 52.037 0.240 0.000 0.814 34 A CB 1.234 20.379 19.000 0.243 0.000 1.357 34 A HN 0.710 nan 8.150 nan 0.000 0.443 35 I N 0.839 121.461 120.570 0.087 0.000 2.362 35 I HA 0.354 4.524 4.170 -0.000 0.000 0.289 35 I C -0.419 175.674 176.117 -0.041 0.000 0.994 35 I CA -0.777 60.498 61.300 -0.040 0.000 1.158 35 I CB 1.656 39.549 38.000 -0.179 0.000 1.315 35 I HN 0.352 nan 8.210 nan 0.000 0.451 36 V N 8.384 128.286 119.914 -0.021 0.000 2.498 36 V HA 0.459 4.579 4.120 -0.000 0.000 0.279 36 V C -0.348 175.699 176.094 -0.078 0.000 1.048 36 V CA -0.054 62.231 62.300 -0.024 0.000 0.967 36 V CB 1.649 33.467 31.823 -0.008 0.000 0.988 36 V HN 0.464 nan 8.190 nan 0.000 0.473 37 V N 6.304 126.173 119.914 -0.076 0.000 2.577 37 V HA 0.643 4.762 4.120 -0.000 0.000 0.303 37 V C 0.590 176.628 176.094 -0.093 0.000 1.042 37 V CA -0.201 61.975 62.300 -0.206 0.000 0.872 37 V CB 1.597 33.068 31.823 -0.586 0.000 0.998 37 V HN 1.009 nan 8.190 nan 0.000 0.423 38 G N 2.788 111.545 108.800 -0.071 0.000 2.395 38 G HA2 0.603 4.563 3.960 -0.000 0.000 0.283 38 G HA3 0.603 4.563 3.960 -0.000 0.000 0.283 38 G C -0.145 174.787 174.900 0.053 0.000 1.178 38 G CA 0.031 45.140 45.100 0.016 0.000 0.837 38 G HN 1.239 nan 8.290 nan 0.000 0.518 39 A N 4.027 126.930 122.820 0.137 0.000 2.943 39 A HA 0.647 4.967 4.320 -0.000 0.000 0.327 39 A C -1.723 175.925 177.584 0.107 0.000 1.141 39 A CA -1.098 51.065 52.037 0.211 0.000 0.773 39 A CB 1.602 20.896 19.000 0.489 0.000 1.143 39 A HN 0.433 nan 8.150 nan 0.000 0.463 40 P HA -0.041 nan 4.420 nan 0.000 0.242 40 P C 0.654 177.923 177.300 -0.051 0.000 1.197 40 P CA 0.699 63.747 63.100 -0.087 0.000 0.765 40 P CB 0.183 31.719 31.700 -0.274 0.000 0.936 41 R N -1.145 119.348 120.500 -0.010 0.000 2.508 41 R HA 0.180 4.520 4.340 -0.000 0.000 0.300 41 R C 0.205 176.535 176.300 0.051 0.000 0.970 41 R CA -0.013 56.090 56.100 0.005 0.000 1.102 41 R CB 0.070 30.364 30.300 -0.010 0.000 1.246 41 R HN 0.066 nan 8.270 nan 0.000 0.539 42 T N 2.514 117.124 114.554 0.094 0.000 2.933 42 T HA 0.034 4.384 4.350 -0.000 0.000 0.306 42 T C 0.658 175.400 174.700 0.071 0.000 1.045 42 T CA 0.336 62.511 62.100 0.124 0.000 1.143 42 T CB 0.706 69.685 68.868 0.185 0.000 1.003 42 T HN 0.095 nan 8.240 nan 0.000 0.540 43 L N 2.799 124.063 121.223 0.068 0.000 2.453 43 L HA 0.381 4.721 4.340 -0.000 0.000 0.272 43 L C 1.394 178.286 176.870 0.038 0.000 1.182 43 L CA -0.316 54.551 54.840 0.045 0.000 0.858 43 L CB 0.162 42.246 42.059 0.042 0.000 1.120 43 L HN 0.816 nan 8.230 nan 0.000 0.474 44 G N 2.384 111.201 108.800 0.028 0.000 2.630 44 G HA2 0.334 4.294 3.960 -0.000 0.000 0.223 44 G HA3 0.334 4.294 3.960 -0.000 0.000 0.223 44 G C -1.733 173.181 174.900 0.022 0.000 1.434 44 G CA -0.387 44.725 45.100 0.020 0.000 1.057 44 G HN 0.544 nan 8.290 nan 0.000 0.570 45 P HA 0.090 nan 4.420 nan 0.000 0.231 45 P C 0.878 178.192 177.300 0.023 0.000 1.168 45 P CA 0.669 63.782 63.100 0.021 0.000 0.779 45 P CB 0.515 32.228 31.700 0.021 0.000 0.844 46 S N 0.763 116.479 115.700 0.026 0.000 2.573 46 S HA 0.096 4.566 4.470 -0.000 0.000 0.244 46 S C 0.424 175.037 174.600 0.023 0.000 0.984 46 S CA -0.293 57.922 58.200 0.025 0.000 1.001 46 S CB -0.497 62.721 63.200 0.031 0.000 0.788 46 S HN 0.058 nan 8.310 nan 0.000 0.456 47 Q N 0.787 120.600 119.800 0.022 0.000 2.408 47 Q HA -0.230 4.110 4.340 -0.000 0.000 0.290 47 Q C -0.109 175.903 176.000 0.020 0.000 1.221 47 Q CA 1.022 56.837 55.803 0.021 0.000 0.895 47 Q CB -1.468 27.280 28.738 0.017 0.000 1.241 47 Q HN 0.782 nan 8.270 nan 0.000 0.494 48 E N -0.033 120.181 120.200 0.023 0.000 2.207 48 E HA 0.299 4.649 4.350 -0.000 0.000 0.270 48 E C -0.716 175.899 176.600 0.025 0.000 0.927 48 E CA -0.536 55.877 56.400 0.022 0.000 0.799 48 E CB 1.072 30.789 29.700 0.028 0.000 1.172 48 E HN 0.104 nan 8.360 nan 0.000 0.404 49 E N 1.169 121.380 120.200 0.019 0.000 2.366 49 E HA 0.031 4.381 4.350 -0.000 0.000 0.266 49 E C 0.193 176.810 176.600 0.029 0.000 1.015 49 E CA 0.559 56.970 56.400 0.019 0.000 0.906 49 E CB 0.799 30.501 29.700 0.003 0.000 0.979 49 E HN 0.624 nan 8.360 nan 0.000 0.443 50 T N -0.312 114.259 114.554 0.027 0.000 3.046 50 T HA 0.367 4.717 4.350 -0.000 0.000 0.270 50 T C 0.700 175.402 174.700 0.004 0.000 0.920 50 T CA 0.001 62.119 62.100 0.029 0.000 0.874 50 T CB 0.631 69.512 68.868 0.022 0.000 1.214 50 T HN 0.756 nan 8.240 nan 0.000 0.536 51 G N -0.428 108.374 108.800 0.003 0.000 2.746 51 G HA2 0.427 4.387 3.960 -0.000 0.000 0.685 51 G HA3 0.427 4.387 3.960 -0.000 0.000 0.685 51 G C -0.189 174.689 174.900 -0.036 0.000 1.350 51 G CA -0.434 44.660 45.100 -0.009 0.000 0.837 51 G HN 1.522 nan 8.290 nan 0.000 0.564 52 G N -2.034 106.748 108.800 -0.030 0.000 2.608 52 G HA2 0.838 4.798 3.960 -0.000 0.000 0.291 52 G HA3 0.838 4.798 3.960 -0.000 0.000 0.291 52 G C -1.380 173.456 174.900 -0.106 0.000 1.425 52 G CA 0.349 45.384 45.100 -0.108 0.000 0.787 52 G HN 1.721 nan 8.290 nan 0.000 0.484 53 V N -0.166 119.614 119.914 -0.223 0.000 2.789 53 V HA 0.747 4.867 4.120 -0.000 0.000 0.311 53 V C -1.230 174.649 176.094 -0.358 0.000 1.073 53 V CA -0.656 61.578 62.300 -0.109 0.000 0.921 53 V CB 1.735 33.615 31.823 0.096 0.000 1.009 53 V HN 0.614 nan 8.190 nan 0.000 0.426 54 F N 3.437 123.428 119.950 0.068 0.000 2.551 54 F HA 0.711 5.238 4.527 -0.000 0.000 0.316 54 F C -0.454 175.368 175.800 0.037 0.000 1.089 54 F CA -0.795 57.265 58.000 0.100 0.000 0.915 54 F CB 2.030 41.192 39.000 0.270 0.000 1.186 54 F HN 0.289 nan 8.300 nan 0.000 0.456 55 L N 3.791 125.131 121.223 0.195 0.000 2.324 55 L HA 0.533 4.873 4.340 -0.000 0.000 0.274 55 L C -1.175 175.764 176.870 0.115 0.000 1.012 55 L CA -0.583 54.317 54.840 0.100 0.000 0.859 55 L CB 0.409 42.490 42.059 0.036 0.000 1.224 55 L HN 0.669 nan 8.230 nan 0.000 0.429 56 c N 6.793 125.421 118.600 0.047 0.000 2.281 56 c HA 0.459 5.029 4.570 -0.000 0.000 0.336 56 c C -1.965 172.142 174.090 0.029 0.000 1.217 56 c CA -1.113 55.189 56.329 -0.045 0.000 1.730 56 c CB -0.045 42.180 42.510 -0.474 0.000 2.338 56 c HN 0.632 nan 8.230 nan 0.000 0.521 57 P HA -0.019 nan 4.420 nan 0.000 0.272 57 P C -0.189 177.304 177.300 0.321 0.000 1.223 57 P CA -0.315 62.909 63.100 0.207 0.000 0.784 57 P CB 0.465 32.265 31.700 0.167 0.000 0.923 58 W N 5.213 126.624 121.300 0.185 0.000 2.356 58 W HA 0.205 4.865 4.660 -0.000 0.000 0.311 58 W C -0.922 175.727 176.519 0.216 0.000 1.328 58 W CA -0.249 57.242 57.345 0.244 0.000 1.251 58 W CB 0.290 29.858 29.460 0.180 0.000 1.280 58 W HN 0.381 nan 8.180 nan 0.000 0.524 59 R N 4.481 124.525 120.500 -0.760 0.000 2.604 59 R HA 0.372 4.712 4.340 -0.000 0.000 0.281 59 R C 0.714 176.243 176.300 -1.285 0.000 1.020 59 R CA -0.318 55.217 56.100 -0.943 0.000 0.899 59 R CB 1.758 31.832 30.300 -0.376 0.000 1.205 59 R HN 0.527 nan 8.270 nan 0.000 0.450 60 A N 2.023 124.224 122.820 -1.033 0.000 1.940 60 A HA -0.191 4.129 4.320 -0.000 0.000 0.219 60 A C 1.294 178.636 177.584 -0.404 0.000 1.176 60 A CA 1.595 53.264 52.037 -0.614 0.000 0.631 60 A CB -0.221 18.643 19.000 -0.226 0.000 0.814 60 A HN 0.805 nan 8.150 nan 0.000 0.446 61 E N -0.721 119.268 120.200 -0.353 0.000 2.427 61 E HA 0.328 4.678 4.350 -0.000 0.000 0.196 61 E C 1.406 177.816 176.600 -0.317 0.000 1.028 61 E CA 0.549 56.799 56.400 -0.250 0.000 0.864 61 E CB -0.319 29.276 29.700 -0.175 0.000 0.813 61 E HN 0.751 nan 8.360 nan 0.000 0.514 62 G N 0.031 108.513 108.800 -0.530 0.000 2.566 62 G HA2 -0.044 3.916 3.960 -0.000 0.000 0.280 62 G HA3 -0.044 3.916 3.960 -0.000 0.000 0.280 62 G C 0.680 175.303 174.900 -0.462 0.000 1.225 62 G CA -0.207 44.359 45.100 -0.890 0.000 0.966 62 G HN 1.079 nan 8.290 nan 0.000 0.560 63 G N -2.725 105.888 108.800 -0.312 0.000 2.295 63 G HA2 0.407 4.367 3.960 -0.000 0.000 0.195 63 G HA3 0.407 4.367 3.960 -0.000 0.000 0.195 63 G C -0.422 174.500 174.900 0.036 0.000 1.269 63 G CA 0.579 45.632 45.100 -0.079 0.000 1.170 63 G HN 1.367 nan 8.290 nan 0.000 0.511 64 Q N -0.607 119.212 119.800 0.030 0.000 2.221 64 Q HA 0.613 4.953 4.340 -0.000 0.000 0.242 64 Q C -0.452 175.616 176.000 0.114 0.000 0.940 64 Q CA -0.110 55.699 55.803 0.009 0.000 0.896 64 Q CB 1.767 30.491 28.738 -0.023 0.000 1.226 64 Q HN 0.723 nan 8.270 nan 0.000 0.463 65 c N 2.097 120.756 118.600 0.098 0.000 2.634 65 c HA 0.589 5.159 4.570 -0.000 0.000 0.313 65 c C -2.082 172.184 174.090 0.293 0.000 1.198 65 c CA -1.243 55.215 56.329 0.215 0.000 1.605 65 c CB 1.695 44.374 42.510 0.281 0.000 2.196 65 c HN 0.698 nan 8.230 nan 0.000 0.486 66 P HA 0.211 nan 4.420 nan 0.000 0.274 66 P C -0.489 176.969 177.300 0.263 0.000 1.231 66 P CA 0.161 63.393 63.100 0.219 0.000 0.790 66 P CB 0.569 32.343 31.700 0.122 0.000 0.951 67 S N 0.924 116.690 115.700 0.110 0.000 2.580 67 S HA 0.219 4.689 4.470 -0.000 0.000 0.274 67 S C 0.145 174.644 174.600 -0.168 0.000 1.329 67 S CA -0.361 57.730 58.200 -0.180 0.000 1.036 67 S CB 0.078 63.135 63.200 -0.238 0.000 0.919 67 S HN 0.406 nan 8.310 nan 0.000 0.515 68 L N 4.288 125.360 121.223 -0.250 0.000 2.272 68 L HA 0.440 4.780 4.340 -0.000 0.000 0.284 68 L C -0.951 175.631 176.870 -0.479 0.000 1.045 68 L CA -0.082 54.580 54.840 -0.297 0.000 0.842 68 L CB -0.089 41.846 42.059 -0.207 0.000 1.224 68 L HN 0.547 nan 8.230 nan 0.000 0.430 69 L N 5.381 126.329 121.223 -0.458 0.000 2.367 69 L HA 0.321 4.661 4.340 -0.000 0.000 0.275 69 L C -0.636 175.843 176.870 -0.652 0.000 1.129 69 L CA 0.309 54.911 54.840 -0.396 0.000 0.839 69 L CB 0.229 42.153 42.059 -0.225 0.000 1.133 69 L HN 0.438 nan 8.230 nan 0.000 0.453 70 F N 0.252 120.110 119.950 -0.153 0.000 2.593 70 F HA 0.262 4.789 4.527 -0.000 0.000 0.320 70 F C 0.289 176.017 175.800 -0.120 0.000 1.060 70 F CA -1.095 56.814 58.000 -0.151 0.000 0.940 70 F CB 1.173 39.944 39.000 -0.382 0.000 1.268 70 F HN 0.345 nan 8.300 nan 0.000 0.475 71 D N 1.996 122.512 120.400 0.194 0.000 2.382 71 D HA 0.122 4.762 4.640 -0.000 0.000 0.259 71 D C 0.330 176.694 176.300 0.107 0.000 1.224 71 D CA 0.512 54.601 54.000 0.147 0.000 0.894 71 D CB 0.642 41.568 40.800 0.209 0.000 1.127 71 D HN 0.512 nan 8.370 nan 0.000 0.487 72 L N 3.565 124.819 121.223 0.051 0.000 2.653 72 L HA 0.213 4.553 4.340 -0.000 0.000 0.231 72 L C 0.973 177.881 176.870 0.063 0.000 1.153 72 L CA -0.133 54.724 54.840 0.030 0.000 0.933 72 L CB 0.038 42.097 42.059 -0.001 0.000 1.175 72 L HN 0.069 nan 8.230 nan 0.000 0.473 73 R N 0.266 120.813 120.500 0.079 0.000 2.349 73 R HA 0.244 4.584 4.340 -0.000 0.000 0.299 73 R C -0.608 175.733 176.300 0.068 0.000 1.027 73 R CA -0.867 55.272 56.100 0.065 0.000 0.958 73 R CB 1.009 31.341 30.300 0.053 0.000 1.047 73 R HN -0.079 nan 8.270 nan 0.000 0.468 74 D N 2.428 122.851 120.400 0.039 0.000 2.399 74 D HA 0.044 4.684 4.640 -0.000 0.000 0.241 74 D C -0.207 176.072 176.300 -0.035 0.000 1.133 74 D CA 0.489 54.479 54.000 -0.017 0.000 0.890 74 D CB 0.805 41.562 40.800 -0.073 0.000 1.201 74 D HN 0.367 nan 8.370 nan 0.000 0.432 75 E N 0.010 120.174 120.200 -0.060 0.000 2.256 75 E HA 0.614 4.964 4.350 -0.000 0.000 0.267 75 E C -0.768 175.776 176.600 -0.094 0.000 0.892 75 E CA -0.858 55.524 56.400 -0.031 0.000 0.775 75 E CB 1.994 31.720 29.700 0.043 0.000 1.207 75 E HN 0.125 nan 8.360 nan 0.000 0.420 76 T N 1.598 116.113 114.554 -0.065 0.000 2.916 76 T HA 0.500 4.850 4.350 -0.000 0.000 0.298 76 T C -1.024 173.654 174.700 -0.036 0.000 1.031 76 T CA -0.784 61.266 62.100 -0.083 0.000 0.993 76 T CB 1.255 70.074 68.868 -0.082 0.000 1.045 76 T HN 0.291 nan 8.240 nan 0.000 0.454 77 R N 2.723 123.204 120.500 -0.032 0.000 2.502 77 R HA 0.355 4.695 4.340 -0.000 0.000 0.300 77 R C -1.241 175.050 176.300 -0.014 0.000 0.984 77 R CA -0.685 55.412 56.100 -0.006 0.000 0.882 77 R CB 0.759 31.077 30.300 0.030 0.000 1.180 77 R HN 0.544 nan 8.270 nan 0.000 0.444 78 N N 3.382 122.076 118.700 -0.011 0.000 2.426 78 N HA 0.315 5.055 4.740 -0.000 0.000 0.257 78 N C -1.233 174.278 175.510 0.001 0.000 1.002 78 N CA -0.169 52.876 53.050 -0.009 0.000 0.942 78 N CB 2.089 40.570 38.487 -0.010 0.000 1.112 78 N HN 0.298 nan 8.380 nan 0.000 0.499 79 V N 0.256 120.174 119.914 0.006 0.000 3.098 79 V HA 0.519 4.639 4.120 -0.000 0.000 0.294 79 V C 0.424 176.528 176.094 0.017 0.000 1.351 79 V CA -0.040 62.269 62.300 0.014 0.000 0.999 79 V CB 1.512 33.350 31.823 0.024 0.000 1.104 79 V HN 0.850 nan 8.190 nan 0.000 0.438 80 G N 4.071 112.881 108.800 0.017 0.000 2.283 80 G HA2 -0.177 3.782 3.960 -0.000 0.000 0.280 80 G HA3 -0.177 3.782 3.960 -0.000 0.000 0.280 80 G C 0.641 175.549 174.900 0.013 0.000 1.029 80 G CA 1.094 46.205 45.100 0.018 0.000 0.840 80 G HN 2.149 nan 8.290 nan 0.000 0.505 81 S N -2.056 113.649 115.700 0.008 0.000 3.521 81 S HA -0.218 4.252 4.470 -0.000 0.000 0.328 81 S C 0.633 175.235 174.600 0.002 0.000 1.165 81 S CA 2.174 60.377 58.200 0.004 0.000 0.941 81 S CB -0.900 62.303 63.200 0.005 0.000 0.951 81 S HN 1.127 nan 8.310 nan 0.000 0.539 82 Q N -0.611 119.190 119.800 0.001 0.000 2.458 82 Q HA 0.617 4.957 4.340 -0.000 0.000 0.282 82 Q C -0.720 175.268 176.000 -0.020 0.000 1.106 82 Q CA -0.790 55.009 55.803 -0.007 0.000 0.814 82 Q CB 1.904 30.643 28.738 0.002 0.000 1.425 82 Q HN 0.188 nan 8.270 nan 0.000 0.437 83 T N 1.629 116.157 114.554 -0.044 0.000 2.815 83 T HA 0.470 4.820 4.350 -0.000 0.000 0.289 83 T C -0.563 174.055 174.700 -0.138 0.000 1.000 83 T CA -0.513 61.547 62.100 -0.067 0.000 0.958 83 T CB 0.297 69.131 68.868 -0.056 0.000 0.944 83 T HN 0.253 nan 8.240 nan 0.000 0.442 84 L N 3.563 124.697 121.223 -0.149 0.000 2.307 84 L HA 0.573 4.913 4.340 -0.000 0.000 0.282 84 L C 0.235 176.895 176.870 -0.350 0.000 1.051 84 L CA -0.731 53.923 54.840 -0.310 0.000 0.804 84 L CB 1.025 43.044 42.059 -0.066 0.000 1.197 84 L HN 0.476 nan 8.230 nan 0.000 0.431 85 Q N 1.758 121.182 119.800 -0.626 0.000 2.285 85 Q HA 0.395 4.735 4.340 -0.000 0.000 0.269 85 Q C -0.847 174.902 176.000 -0.418 0.000 1.030 85 Q CA -0.668 54.836 55.803 -0.499 0.000 0.788 85 Q CB 2.923 31.401 28.738 -0.433 0.000 1.266 85 Q HN 0.733 nan 8.270 nan 0.000 0.438 86 T N -1.191 113.188 114.554 -0.292 0.000 2.895 86 T HA 0.774 5.124 4.350 -0.000 0.000 0.283 86 T C -0.622 173.830 174.700 -0.414 0.000 1.014 86 T CA -0.494 61.574 62.100 -0.053 0.000 1.037 86 T CB 0.665 69.629 68.868 0.161 0.000 1.006 86 T HN 0.322 nan 8.240 nan 0.000 0.468 87 F N 1.022 121.092 119.950 0.200 0.000 2.612 87 F HA 0.466 4.993 4.527 -0.000 0.000 0.332 87 F C 1.014 176.923 175.800 0.182 0.000 1.167 87 F CA -0.953 57.142 58.000 0.158 0.000 0.970 87 F CB 2.220 41.302 39.000 0.136 0.000 1.234 87 F HN 0.595 nan 8.300 nan 0.000 0.453 88 K N 1.683 122.251 120.400 0.281 0.000 2.374 88 K HA 0.370 4.690 4.320 -0.000 0.000 0.196 88 K C 0.664 177.375 176.600 0.185 0.000 1.023 88 K CA -0.114 56.307 56.287 0.224 0.000 1.103 88 K CB 0.605 33.206 32.500 0.168 0.000 0.848 88 K HN 0.567 nan 8.250 nan 0.000 0.528 89 A N 1.919 124.850 122.820 0.186 0.000 2.524 89 A HA 0.069 4.389 4.320 -0.000 0.000 0.250 89 A C 0.125 177.781 177.584 0.120 0.000 1.078 89 A CA 0.134 52.244 52.037 0.121 0.000 0.761 89 A CB -0.197 18.858 19.000 0.092 0.000 1.012 89 A HN 0.517 nan 8.150 nan 0.000 0.500 90 R N 0.316 120.867 120.500 0.086 0.000 3.863 90 R HA -0.275 4.065 4.340 -0.000 0.000 0.313 90 R C 1.271 177.682 176.300 0.184 0.000 1.202 90 R CA 1.311 57.457 56.100 0.077 0.000 0.852 90 R CB -1.892 28.417 30.300 0.015 0.000 1.292 90 R HN 1.039 nan 8.270 nan 0.000 0.519 91 Q N 0.135 120.065 119.800 0.216 0.000 2.369 91 Q HA -0.001 4.339 4.340 -0.000 0.000 0.206 91 Q C 1.176 177.365 176.000 0.315 0.000 0.963 91 Q CA 1.109 57.087 55.803 0.291 0.000 0.894 91 Q CB 0.274 29.142 28.738 0.217 0.000 0.965 91 Q HN 0.450 nan 8.270 nan 0.000 0.475 92 G N 1.681 110.627 108.800 0.243 0.000 2.225 92 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.264 92 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.264 92 G C -0.280 174.618 174.900 -0.003 0.000 1.060 92 G CA 0.071 45.296 45.100 0.209 0.000 0.833 92 G HN 0.421 nan 8.290 nan 0.000 0.498 93 L N 0.157 121.355 121.223 -0.043 0.000 2.628 93 L HA 0.466 4.806 4.340 -0.000 0.000 0.274 93 L C 1.479 178.277 176.870 -0.119 0.000 1.209 93 L CA 1.927 56.684 54.840 -0.138 0.000 0.930 93 L CB 0.203 42.112 42.059 -0.249 0.000 1.183 93 L HN 1.675 nan 8.230 nan 0.000 0.492 94 G N 2.904 111.630 108.800 -0.124 0.000 2.163 94 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.213 94 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.213 94 G C 0.813 175.696 174.900 -0.030 0.000 0.991 94 G CA 0.224 45.285 45.100 -0.065 0.000 0.653 94 G HN 1.268 nan 8.290 nan 0.000 0.518 95 A N -0.356 122.400 122.820 -0.107 0.000 2.066 95 A HA 0.545 4.865 4.320 -0.000 0.000 0.218 95 A C 1.561 179.178 177.584 0.055 0.000 1.157 95 A CA 2.173 54.158 52.037 -0.087 0.000 0.670 95 A CB -0.158 18.628 19.000 -0.357 0.000 0.804 95 A HN 2.105 nan 8.150 nan 0.000 0.453 96 S N -1.015 114.650 115.700 -0.060 0.000 2.548 96 S HA 0.609 5.079 4.470 -0.000 0.000 0.276 96 S C -0.824 173.748 174.600 -0.047 0.000 1.129 96 S CA -0.078 58.090 58.200 -0.052 0.000 0.931 96 S CB 1.486 64.619 63.200 -0.112 0.000 1.068 96 S HN 1.217 nan 8.310 nan 0.000 0.480 97 V N 0.135 120.033 119.914 -0.026 0.000 2.823 97 V HA 1.022 5.142 4.120 -0.000 0.000 0.312 97 V C -0.656 175.439 176.094 0.001 0.000 1.072 97 V CA -0.783 61.508 62.300 -0.015 0.000 0.937 97 V CB 1.217 33.034 31.823 -0.009 0.000 1.013 97 V HN 1.191 nan 8.190 nan 0.000 0.430 98 V N 2.045 121.978 119.914 0.031 0.000 3.048 98 V HA 0.796 4.916 4.120 -0.000 0.000 0.303 98 V C -0.617 175.554 176.094 0.129 0.000 1.214 98 V CA 0.304 62.646 62.300 0.069 0.000 0.984 98 V CB 2.544 34.398 31.823 0.052 0.000 1.054 98 V HN 1.418 nan 8.190 nan 0.000 0.430 99 S N 4.849 120.660 115.700 0.186 0.000 2.503 99 S HA 0.833 5.303 4.470 -0.000 0.000 0.301 99 S C -1.731 173.070 174.600 0.334 0.000 1.087 99 S CA -0.412 57.954 58.200 0.277 0.000 1.042 99 S CB 1.365 64.769 63.200 0.341 0.000 1.043 99 S HN 0.987 nan 8.310 nan 0.000 0.489 100 W N 4.089 125.474 121.300 0.143 0.000 3.439 100 W HA 0.512 5.172 4.660 0.000 0.000 0.323 100 W C 0.179 176.746 176.519 0.080 0.000 1.174 100 W CA 0.406 57.804 57.345 0.088 0.000 1.224 100 W CB 1.005 30.502 29.460 0.062 0.000 1.348 100 W HN 0.934 nan 8.180 nan 0.000 0.498 101 S N 2.458 117.580 115.700 -0.963 0.000 3.927 101 S HA -0.374 4.096 4.470 -0.000 0.000 0.618 101 S C 0.647 175.041 174.600 -0.343 0.000 2.201 101 S CA 2.237 59.931 58.200 -0.842 0.000 4.160 101 S CB -1.142 61.286 63.200 -1.286 0.000 0.266 101 S HN 1.004 nan 8.310 nan 0.000 0.760 102 D N 1.617 121.886 120.400 -0.217 0.000 2.491 102 D HA 0.436 5.076 4.640 -0.000 0.000 0.228 102 D C 0.033 176.459 176.300 0.210 0.000 1.183 102 D CA -0.039 53.960 54.000 -0.003 0.000 0.827 102 D CB -0.140 40.617 40.800 -0.072 0.000 0.989 102 D HN 0.357 nan 8.370 nan 0.000 0.494 103 V N 0.647 120.706 119.914 0.242 0.000 2.628 103 V HA 0.431 4.551 4.120 -0.000 0.000 0.306 103 V C 0.004 176.275 176.094 0.296 0.000 1.045 103 V CA -0.878 61.596 62.300 0.290 0.000 0.905 103 V CB 2.288 34.339 31.823 0.379 0.000 0.997 103 V HN 0.094 nan 8.190 nan 0.000 0.436 104 I N 3.896 124.592 120.570 0.211 0.000 2.433 104 I HA 0.527 4.697 4.170 -0.000 0.000 0.292 104 I C -0.907 175.323 176.117 0.188 0.000 1.001 104 I CA -0.800 60.587 61.300 0.145 0.000 1.119 104 I CB 2.187 40.193 38.000 0.011 0.000 1.289 104 I HN 0.248 nan 8.210 nan 0.000 0.438 105 V N 5.412 125.405 119.914 0.132 0.000 2.409 105 V HA 0.728 4.848 4.120 -0.000 0.000 0.291 105 V C -0.101 175.997 176.094 0.006 0.000 1.020 105 V CA -0.478 61.861 62.300 0.067 0.000 0.848 105 V CB 1.477 33.330 31.823 0.050 0.000 0.990 105 V HN 0.809 nan 8.190 nan 0.000 0.430 106 A N 4.111 126.889 122.820 -0.070 0.000 2.343 106 A HA 0.764 5.084 4.320 -0.000 0.000 0.308 106 A C -0.619 176.889 177.584 -0.126 0.000 1.092 106 A CA -0.357 51.603 52.037 -0.129 0.000 0.751 106 A CB 1.229 20.101 19.000 -0.214 0.000 1.203 106 A HN 0.802 nan 8.150 nan 0.000 0.452 107 c N 1.385 119.921 118.600 -0.107 0.000 2.454 107 c HA 0.857 5.427 4.570 -0.000 0.000 0.336 107 c C 0.853 174.869 174.090 -0.124 0.000 1.189 107 c CA -0.082 56.189 56.329 -0.098 0.000 1.877 107 c CB 1.335 43.759 42.510 -0.143 0.000 2.348 107 c HN 1.066 nan 8.230 nan 0.000 0.508 108 A N 2.945 125.714 122.820 -0.085 0.000 2.842 108 A HA 0.556 4.876 4.320 -0.000 0.000 0.339 108 A C -1.922 175.528 177.584 -0.224 0.000 1.177 108 A CA -0.877 51.105 52.037 -0.091 0.000 0.797 108 A CB 0.158 19.227 19.000 0.114 0.000 1.094 108 A HN 0.656 nan 8.150 nan 0.000 0.474 109 P HA -0.094 nan 4.420 nan 0.000 0.220 109 P C 0.550 177.445 177.300 -0.675 0.000 1.148 109 P CA 1.036 63.701 63.100 -0.724 0.000 0.803 109 P CB 0.114 31.089 31.700 -1.208 0.000 0.782 110 W N -0.079 121.214 121.300 -0.013 0.000 3.223 110 W HA 0.315 4.975 4.660 -0.000 0.000 0.389 110 W C 0.482 177.040 176.519 0.065 0.000 1.118 110 W CA -0.494 56.855 57.345 0.005 0.000 1.902 110 W CB -0.951 28.545 29.460 0.060 0.000 1.094 110 W HN 0.103 nan 8.180 nan 0.000 0.666 111 Q N 1.332 121.224 119.800 0.155 0.000 2.274 111 Q HA -0.035 4.305 4.340 -0.000 0.000 0.280 111 Q C -0.627 175.486 176.000 0.188 0.000 1.047 111 Q CA 0.817 56.752 55.803 0.220 0.000 0.907 111 Q CB 0.515 29.347 28.738 0.156 0.000 1.171 111 Q HN 0.143 nan 8.270 nan 0.000 0.381 112 H N 2.774 122.021 119.070 0.294 0.000 2.508 112 H HA 0.483 5.039 4.556 -0.000 0.000 0.344 112 H C -1.146 174.496 175.328 0.523 0.000 1.192 112 H CA -0.228 56.023 56.048 0.338 0.000 1.290 112 H CB 0.997 30.904 29.762 0.242 0.000 1.571 112 H HN 0.660 nan 8.280 nan 0.000 0.555 113 W N 2.245 123.750 121.300 0.342 0.000 3.217 113 W HA 0.388 5.048 4.660 -0.000 0.000 0.323 113 W C -1.884 174.799 176.519 0.272 0.000 1.216 113 W CA -0.424 57.077 57.345 0.260 0.000 1.194 113 W CB 2.241 31.744 29.460 0.073 0.000 1.397 113 W HN 0.552 nan 8.180 nan 0.000 0.537 114 N N 2.157 120.571 118.700 -0.475 0.000 2.591 114 N HA 0.609 5.349 4.740 -0.000 0.000 0.263 114 N C -2.260 172.805 175.510 -0.741 0.000 1.308 114 N CA -0.396 52.408 53.050 -0.410 0.000 0.837 114 N CB 2.577 41.067 38.487 0.006 0.000 1.548 114 N HN 0.133 nan 8.380 nan 0.000 0.493 115 V N 2.322 122.003 119.914 -0.388 0.000 2.577 115 V HA 0.525 4.645 4.120 -0.000 0.000 0.303 115 V C -0.433 175.596 176.094 -0.108 0.000 1.042 115 V CA -0.671 61.465 62.300 -0.273 0.000 0.872 115 V CB 1.539 33.280 31.823 -0.137 0.000 0.998 115 V HN 0.484 nan 8.190 nan 0.000 0.423 116 L N 3.861 125.031 121.223 -0.087 0.000 2.325 116 L HA 0.743 5.083 4.340 -0.000 0.000 0.278 116 L C -0.144 176.713 176.870 -0.022 0.000 1.023 116 L CA -0.388 54.431 54.840 -0.035 0.000 0.811 116 L CB 1.808 43.852 42.059 -0.025 0.000 1.249 116 L HN 0.694 nan 8.230 nan 0.000 0.431 117 E N 3.681 123.877 120.200 -0.005 0.000 2.361 117 E HA 0.256 4.606 4.350 -0.000 0.000 0.270 117 E C -0.750 175.853 176.600 0.004 0.000 0.911 117 E CA -0.372 56.028 56.400 -0.000 0.000 0.818 117 E CB 1.029 30.732 29.700 0.004 0.000 1.332 117 E HN 0.633 nan 8.360 nan 0.000 0.402 118 K N 0.132 120.533 120.400 0.003 0.000 1.795 118 K HA -0.302 4.018 4.320 -0.000 0.000 0.138 118 K C 1.070 177.675 176.600 0.008 0.000 1.027 118 K CA 2.273 58.563 56.287 0.005 0.000 0.303 118 K CB -1.582 30.922 32.500 0.006 0.000 0.699 118 K HN 0.646 nan 8.250 nan 0.000 0.789 119 T N 0.054 114.614 114.554 0.010 0.000 3.107 119 T HA 0.165 4.515 4.350 -0.000 0.000 0.249 119 T C 0.385 175.096 174.700 0.018 0.000 1.096 119 T CA 0.227 62.335 62.100 0.013 0.000 1.012 119 T CB 0.072 68.948 68.868 0.013 0.000 0.977 119 T HN 0.329 nan 8.240 nan 0.000 0.527 120 E N 1.168 121.379 120.200 0.019 0.000 2.239 120 E HA 0.588 4.938 4.350 -0.000 0.000 0.261 120 E C -0.353 176.264 176.600 0.027 0.000 1.016 120 E CA -0.897 55.519 56.400 0.027 0.000 0.882 120 E CB 1.210 30.927 29.700 0.028 0.000 1.190 120 E HN 0.712 nan 8.360 nan 0.000 0.415 121 E N -1.044 119.181 120.200 0.042 0.000 2.423 121 E HA 0.504 4.854 4.350 -0.000 0.000 0.280 121 E C -0.561 176.086 176.600 0.078 0.000 1.030 121 E CA -0.766 55.658 56.400 0.041 0.000 0.812 121 E CB 1.022 30.741 29.700 0.032 0.000 1.313 121 E HN 0.396 nan 8.360 nan 0.000 0.456 122 A N 1.251 124.118 122.820 0.077 0.000 2.014 122 A HA 0.022 4.342 4.320 -0.000 0.000 0.218 122 A C 0.153 177.818 177.584 0.136 0.000 1.163 122 A CA 1.559 53.685 52.037 0.148 0.000 0.652 122 A CB -0.721 18.369 19.000 0.150 0.000 0.808 122 A HN 0.681 nan 8.150 nan 0.000 0.449 123 E N -2.110 118.147 120.200 0.094 0.000 7.576 123 E HA -0.090 4.260 4.350 -0.000 0.000 0.451 123 E C -0.714 175.948 176.600 0.104 0.000 0.533 123 E CA 0.136 56.596 56.400 0.101 0.000 1.249 123 E CB -0.342 29.442 29.700 0.141 0.000 0.953 123 E HN 0.479 nan 8.360 nan 0.000 0.262 124 K N 2.642 123.095 120.400 0.089 0.000 2.292 124 K HA 0.289 4.609 4.320 -0.000 0.000 0.290 124 K C -0.572 176.184 176.600 0.259 0.000 1.083 124 K CA 0.520 56.877 56.287 0.117 0.000 0.918 124 K CB 0.458 32.924 32.500 -0.056 0.000 1.089 124 K HN 0.463 nan 8.250 nan 0.000 0.473 125 T N 1.179 115.914 114.554 0.302 0.000 2.896 125 T HA 0.461 4.811 4.350 -0.000 0.000 0.297 125 T C -2.837 171.828 174.700 -0.058 0.000 1.108 125 T CA -2.121 60.117 62.100 0.230 0.000 1.004 125 T CB 1.891 70.859 68.868 0.166 0.000 1.159 125 T HN 0.334 nan 8.240 nan 0.000 0.499 126 P HA 0.222 nan 4.420 nan 0.000 0.247 126 P C 1.384 178.562 177.300 -0.204 0.000 1.756 126 P CA -0.543 62.266 63.100 -0.487 0.000 1.117 126 P CB 0.193 31.686 31.700 -0.345 0.000 1.869 127 V N 0.318 120.133 119.914 -0.165 0.000 2.626 127 V HA 0.164 4.284 4.120 -0.000 0.000 0.252 127 V C 1.050 176.990 176.094 -0.257 0.000 1.067 127 V CA 1.048 63.210 62.300 -0.230 0.000 1.081 127 V CB -1.959 29.690 31.823 -0.290 0.000 0.686 127 V HN 0.651 nan 8.190 nan 0.000 0.468 128 G N -0.510 108.164 108.800 -0.208 0.000 2.814 128 G HA2 0.114 4.074 3.960 -0.000 0.000 0.677 128 G HA3 0.114 4.074 3.960 -0.000 0.000 0.677 128 G C -0.362 174.394 174.900 -0.241 0.000 1.429 128 G CA 0.078 45.045 45.100 -0.222 0.000 0.868 128 G HN 1.665 nan 8.290 nan 0.000 0.553 129 S N -1.672 113.896 115.700 -0.220 0.000 2.552 129 S HA 0.633 5.103 4.470 -0.000 0.000 0.272 129 S C -0.570 173.876 174.600 -0.256 0.000 1.150 129 S CA 0.149 58.177 58.200 -0.287 0.000 0.849 129 S CB 1.136 64.158 63.200 -0.296 0.000 1.113 129 S HN 1.588 nan 8.310 nan 0.000 0.458 130 c N 3.156 121.557 118.600 -0.332 0.000 2.456 130 c HA 0.778 5.348 4.570 -0.000 0.000 0.325 130 c C -1.071 172.750 174.090 -0.448 0.000 1.217 130 c CA -0.620 55.568 56.329 -0.235 0.000 1.687 130 c CB 0.237 42.676 42.510 -0.118 0.000 2.270 130 c HN 0.746 nan 8.230 nan 0.000 0.499 131 F N 2.519 122.261 119.950 -0.347 0.000 2.458 131 F HA 0.714 5.240 4.527 -0.000 0.000 0.336 131 F C -0.109 175.501 175.800 -0.317 0.000 1.114 131 F CA -0.684 57.045 58.000 -0.450 0.000 0.987 131 F CB 0.937 39.350 39.000 -0.978 0.000 1.130 131 F HN 0.168 nan 8.300 nan 0.000 0.458 132 L N 3.110 124.315 121.223 -0.031 0.000 2.346 132 L HA 0.861 5.201 4.340 -0.000 0.000 0.276 132 L C -0.428 176.631 176.870 0.314 0.000 1.006 132 L CA -0.548 54.323 54.840 0.053 0.000 0.817 132 L CB 1.892 43.776 42.059 -0.291 0.000 1.272 132 L HN 0.733 nan 8.230 nan 0.000 0.421 133 A N 2.444 125.531 122.820 0.445 0.000 2.422 133 A HA 0.680 5.000 4.320 -0.000 0.000 0.302 133 A C -1.049 176.725 177.584 0.317 0.000 1.041 133 A CA -0.525 51.739 52.037 0.378 0.000 0.708 133 A CB 1.567 20.691 19.000 0.208 0.000 1.257 133 A HN 0.642 nan 8.150 nan 0.000 0.414 134 Q N 3.042 122.979 119.800 0.228 0.000 2.466 134 Q HA 0.339 4.679 4.340 -0.000 0.000 0.242 134 Q C -2.008 174.020 176.000 0.047 0.000 1.046 134 Q CA -2.094 53.760 55.803 0.086 0.000 0.841 134 Q CB 1.092 29.797 28.738 -0.054 0.000 1.193 134 Q HN 0.452 nan 8.270 nan 0.000 0.508 135 P HA -0.219 nan 4.420 nan 0.000 0.216 135 P C 0.175 177.489 177.300 0.023 0.000 1.153 135 P CA 1.476 64.581 63.100 0.008 0.000 0.858 135 P CB 0.351 32.058 31.700 0.012 0.000 0.789 136 E N -0.755 119.470 120.200 0.042 0.000 2.152 136 E HA -0.098 4.252 4.350 -0.000 0.000 0.192 136 E C 1.983 178.593 176.600 0.016 0.000 0.983 136 E CA 1.559 57.981 56.400 0.036 0.000 0.818 136 E CB -0.292 29.429 29.700 0.036 0.000 0.758 136 E HN 0.356 nan 8.360 nan 0.000 0.467 137 S N -1.191 114.511 115.700 0.003 0.000 2.486 137 S HA 0.189 4.659 4.470 -0.000 0.000 0.220 137 S C 1.743 176.348 174.600 0.007 0.000 1.011 137 S CA 0.378 58.576 58.200 -0.003 0.000 0.921 137 S CB 0.692 63.878 63.200 -0.024 0.000 0.785 137 S HN 0.353 nan 8.310 nan 0.000 0.517 138 G N 1.561 110.366 108.800 0.009 0.000 2.176 138 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.253 138 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.253 138 G C 0.149 175.077 174.900 0.048 0.000 0.979 138 G CA -0.124 44.982 45.100 0.011 0.000 0.641 138 G HN 0.464 nan 8.290 nan 0.000 0.530 139 R N 0.453 120.997 120.500 0.074 0.000 2.623 139 R HA 0.405 4.745 4.340 -0.000 0.000 0.271 139 R C 0.498 176.977 176.300 0.299 0.000 1.043 139 R CA 0.346 56.548 56.100 0.170 0.000 1.083 139 R CB 0.300 30.667 30.300 0.112 0.000 0.974 139 R HN 0.310 nan 8.270 nan 0.000 0.436 140 R N 0.363 121.042 120.500 0.297 0.000 2.744 140 R HA 0.734 5.074 4.340 -0.000 0.000 0.279 140 R C -0.816 175.438 176.300 -0.076 0.000 0.977 140 R CA -0.850 55.362 56.100 0.188 0.000 0.906 140 R CB 2.379 32.759 30.300 0.134 0.000 1.197 140 R HN 0.741 nan 8.270 nan 0.000 0.463 141 A N 1.267 123.795 122.820 -0.488 0.000 2.583 141 A HA 0.743 5.063 4.320 -0.000 0.000 0.289 141 A C -1.373 175.609 177.584 -1.004 0.000 1.151 141 A CA -0.687 50.697 52.037 -1.088 0.000 0.695 141 A CB 2.034 20.288 19.000 -1.243 0.000 1.290 141 A HN 0.629 nan 8.150 nan 0.000 0.419 142 E N -0.998 118.524 120.200 -1.129 0.000 2.393 142 E HA 0.542 4.892 4.350 -0.000 0.000 0.273 142 E C -2.226 174.397 176.600 0.038 0.000 0.918 142 E CA -0.560 55.517 56.400 -0.539 0.000 0.773 142 E CB 2.680 32.096 29.700 -0.473 0.000 1.275 142 E HN 0.539 nan 8.360 nan 0.000 0.451 143 Y N 0.562 120.753 120.300 -0.182 0.000 2.332 143 Y HA 0.385 4.935 4.550 -0.000 0.000 0.325 143 Y C -1.294 174.435 175.900 -0.285 0.000 1.054 143 Y CA -0.769 57.250 58.100 -0.135 0.000 1.119 143 Y CB 2.011 40.374 38.460 -0.162 0.000 1.168 143 Y HN 0.406 nan 8.280 nan 0.000 0.439 144 S N 8.541 123.804 115.700 -0.727 0.000 2.216 144 S HA 0.320 4.790 4.470 -0.000 0.000 0.156 144 S C -2.161 171.899 174.600 -0.899 0.000 1.665 144 S CA -1.144 56.599 58.200 -0.761 0.000 1.262 144 S CB 0.578 63.416 63.200 -0.604 0.000 1.207 144 S HN 0.609 nan 8.310 nan 0.000 0.427 145 P HA 0.067 nan 4.420 nan 0.000 0.226 145 P C 0.852 177.830 177.300 -0.538 0.000 1.153 145 P CA 0.651 63.281 63.100 -0.784 0.000 0.777 145 P CB -0.116 31.134 31.700 -0.750 0.000 0.794 146 c N -0.840 117.438 118.600 -0.536 0.000 2.799 146 c HA 0.237 4.807 4.570 -0.000 0.000 0.267 146 c C 1.333 175.138 174.090 -0.474 0.000 1.257 146 c CA -0.500 55.569 56.329 -0.433 0.000 1.702 146 c CB -1.193 41.076 42.510 -0.401 0.000 1.934 146 c HN 0.183 nan 8.230 nan 0.000 0.594 147 R N 1.366 121.451 120.500 -0.692 0.000 2.585 147 R HA 0.396 4.736 4.340 -0.000 0.000 0.275 147 R C 0.516 176.530 176.300 -0.477 0.000 1.018 147 R CA 0.598 56.111 56.100 -0.978 0.000 1.072 147 R CB 0.196 29.583 30.300 -1.521 0.000 0.953 147 R HN 0.533 nan 8.270 nan 0.000 0.419 148 G N 0.638 109.371 108.800 -0.112 0.000 2.733 148 G HA2 0.201 4.161 3.960 -0.000 0.000 0.288 148 G HA3 0.201 4.161 3.960 -0.000 0.000 0.288 148 G C -0.509 174.605 174.900 0.358 0.000 1.373 148 G CA -0.715 44.452 45.100 0.112 0.000 0.895 148 G HN 0.687 nan 8.290 nan 0.000 0.479 149 N N -0.892 117.939 118.700 0.219 0.000 2.365 149 N HA 0.144 4.884 4.740 -0.000 0.000 0.257 149 N C -0.216 175.362 175.510 0.112 0.000 1.287 149 N CA -0.309 52.856 53.050 0.193 0.000 0.882 149 N CB 0.729 39.303 38.487 0.145 0.000 1.250 149 N HN 0.225 nan 8.380 nan 0.000 0.507 150 T N 1.450 116.071 114.554 0.113 0.000 2.856 150 T HA 0.391 4.741 4.350 -0.000 0.000 0.292 150 T C 0.531 175.289 174.700 0.096 0.000 0.980 150 T CA -0.436 61.660 62.100 -0.005 0.000 1.091 150 T CB 1.237 69.947 68.868 -0.263 0.000 0.936 150 T HN 0.106 nan 8.240 nan 0.000 0.503 151 L N 1.816 123.059 121.223 0.033 0.000 2.418 151 L HA 0.259 4.599 4.340 -0.000 0.000 0.265 151 L C 2.040 179.016 176.870 0.177 0.000 1.143 151 L CA -0.400 54.499 54.840 0.097 0.000 0.809 151 L CB 0.636 42.721 42.059 0.044 0.000 1.124 151 L HN 0.683 nan 8.230 nan 0.000 0.456 152 S N 1.055 116.888 115.700 0.222 0.000 2.374 152 S HA -0.227 4.243 4.470 -0.000 0.000 0.227 152 S C 2.020 176.730 174.600 0.184 0.000 1.037 152 S CA 1.824 60.189 58.200 0.274 0.000 1.024 152 S CB -0.198 63.114 63.200 0.186 0.000 0.861 152 S HN 0.688 nan 8.310 nan 0.000 0.456 153 R N 0.117 120.671 120.500 0.090 0.000 2.120 153 R HA -0.046 4.294 4.340 -0.000 0.000 0.234 153 R C 1.895 178.179 176.300 -0.027 0.000 1.123 153 R CA 1.588 57.706 56.100 0.029 0.000 0.975 153 R CB -0.256 30.056 30.300 0.020 0.000 0.866 153 R HN 0.413 nan 8.270 nan 0.000 0.446 154 I N 0.279 120.814 120.570 -0.058 0.000 2.353 154 I HA -0.193 3.977 4.170 -0.000 0.000 0.248 154 I C 1.694 177.687 176.117 -0.207 0.000 1.119 154 I CA 1.126 62.336 61.300 -0.149 0.000 1.417 154 I CB -1.253 36.620 38.000 -0.213 0.000 1.078 154 I HN 0.141 nan 8.210 nan 0.000 0.421 155 Y N 0.865 121.079 120.300 -0.143 0.000 2.181 155 Y HA -0.166 4.384 4.550 -0.000 0.000 0.288 155 Y C 2.739 178.261 175.900 -0.630 0.000 1.146 155 Y CA 1.210 59.142 58.100 -0.280 0.000 1.164 155 Y CB -1.060 37.281 38.460 -0.200 0.000 0.982 155 Y HN -0.120 nan 8.280 nan 0.000 0.515 156 V N 0.127 119.781 119.914 -0.433 0.000 2.295 156 V HA -0.280 3.840 4.120 -0.000 0.000 0.246 156 V C 1.955 177.905 176.094 -0.240 0.000 1.049 156 V CA 2.122 64.127 62.300 -0.491 0.000 1.024 156 V CB -0.544 31.190 31.823 -0.149 0.000 0.648 156 V HN 0.423 nan 8.190 nan 0.000 0.447 157 E N 0.110 120.224 120.200 -0.142 0.000 2.268 157 E HA -0.127 4.223 4.350 -0.000 0.000 0.195 157 E C 1.215 177.770 176.600 -0.074 0.000 0.995 157 E CA 0.797 57.148 56.400 -0.081 0.000 0.836 157 E CB -0.105 29.558 29.700 -0.061 0.000 0.763 157 E HN 0.591 nan 8.360 nan 0.000 0.491 158 N N 1.138 119.778 118.700 -0.100 0.000 2.273 158 N HA -0.015 4.725 4.740 -0.000 0.000 0.231 158 N C -0.828 174.673 175.510 -0.015 0.000 1.134 158 N CA 0.177 53.201 53.050 -0.044 0.000 0.856 158 N CB 0.707 39.174 38.487 -0.034 0.000 1.068 158 N HN 0.049 nan 8.380 nan 0.000 0.510 159 D N 0.438 120.805 120.400 -0.054 0.000 2.837 159 D HA -0.228 4.412 4.640 -0.000 0.000 0.230 159 D C -0.224 176.192 176.300 0.194 0.000 1.152 159 D CA 0.584 54.618 54.000 0.058 0.000 0.736 159 D CB -1.586 39.258 40.800 0.073 0.000 1.084 159 D HN 0.358 nan 8.370 nan 0.000 0.429 160 F N -1.808 118.213 119.950 0.118 0.000 3.018 160 F HA -0.285 4.242 4.527 -0.000 0.000 0.287 160 F C 1.195 177.080 175.800 0.143 0.000 0.813 160 F CA 0.850 58.951 58.000 0.168 0.000 1.209 160 F CB -2.411 36.588 39.000 -0.002 0.000 1.321 160 F HN 0.141 nan 8.300 nan 0.000 0.477 161 S N -1.444 114.396 115.700 0.234 0.000 2.565 161 S HA 0.364 4.834 4.470 -0.000 0.000 0.276 161 S C 0.109 174.889 174.600 0.300 0.000 1.326 161 S CA 0.016 58.293 58.200 0.128 0.000 1.045 161 S CB 0.422 63.727 63.200 0.174 0.000 0.918 161 S HN 0.480 nan 8.310 nan 0.000 0.505 162 W N -0.056 121.305 121.300 0.101 0.000 5.361 162 W HA -0.152 4.508 4.660 -0.000 0.000 0.385 162 W C -0.296 176.453 176.519 0.384 0.000 1.458 162 W CA 0.605 58.062 57.345 0.187 0.000 0.922 162 W CB -1.787 27.730 29.460 0.096 0.000 2.606 162 W HN 0.824 nan 8.180 nan 0.000 1.450 163 D N 1.064 121.755 120.400 0.484 0.000 2.441 163 D HA 0.192 4.832 4.640 -0.000 0.000 0.221 163 D C 0.875 177.161 176.300 -0.023 0.000 1.156 163 D CA -0.045 54.113 54.000 0.263 0.000 0.896 163 D CB 0.588 41.551 40.800 0.272 0.000 1.028 163 D HN 0.253 nan 8.370 nan 0.000 0.509 164 K N 2.487 122.831 120.400 -0.093 0.000 2.410 164 K HA 0.162 4.482 4.320 -0.000 0.000 0.200 164 K C 1.543 177.855 176.600 -0.479 0.000 1.023 164 K CA -0.194 55.913 56.287 -0.300 0.000 1.149 164 K CB 0.806 33.183 32.500 -0.205 0.000 0.859 164 K HN 0.210 nan 8.250 nan 0.000 0.514 165 R N 0.047 120.090 120.500 -0.762 0.000 2.189 165 R HA -0.103 4.237 4.340 -0.000 0.000 0.223 165 R C 0.483 176.311 176.300 -0.787 0.000 1.092 165 R CA 1.195 56.809 56.100 -0.810 0.000 0.989 165 R CB 0.017 29.733 30.300 -0.973 0.000 0.876 165 R HN 0.279 nan 8.270 nan 0.000 0.457 166 Y N -2.689 117.418 120.300 -0.320 0.000 2.696 166 Y HA 0.213 4.763 4.550 -0.000 0.000 0.260 166 Y C 1.568 177.284 175.900 -0.307 0.000 1.165 166 Y CA -1.324 56.581 58.100 -0.325 0.000 1.189 166 Y CB -0.809 37.331 38.460 -0.533 0.000 1.180 166 Y HN -0.068 nan 8.280 nan 0.000 0.538 167 c N 0.770 119.202 118.600 -0.280 0.000 2.385 167 c HA -0.263 4.307 4.570 -0.000 0.000 0.275 167 c C 1.365 175.333 174.090 -0.203 0.000 1.207 167 c CA 1.920 58.086 56.329 -0.272 0.000 1.760 167 c CB -0.763 41.555 42.510 -0.320 0.000 2.051 167 c HN 0.738 nan 8.230 nan 0.000 0.467 168 E N -0.799 119.287 120.200 -0.190 0.000 2.320 168 E HA -0.215 4.135 4.350 -0.000 0.000 0.234 168 E C 0.104 176.581 176.600 -0.204 0.000 1.183 168 E CA 0.038 56.321 56.400 -0.195 0.000 0.713 168 E CB -1.448 28.188 29.700 -0.106 0.000 1.226 168 E HN 0.771 nan 8.360 nan 0.000 0.382 169 A N 0.170 122.844 122.820 -0.243 0.000 2.540 169 A HA 0.409 4.729 4.320 -0.000 0.000 0.239 169 A C 1.650 179.103 177.584 -0.218 0.000 1.061 169 A CA 1.064 52.958 52.037 -0.238 0.000 0.758 169 A CB 0.228 19.039 19.000 -0.315 0.000 0.991 169 A HN 1.099 nan 8.150 nan 0.000 0.502 170 G N 0.977 109.679 108.800 -0.163 0.000 2.176 170 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.232 170 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.232 170 G C 0.741 175.545 174.900 -0.160 0.000 0.986 170 G CA 0.735 45.740 45.100 -0.157 0.000 0.643 170 G HN 1.229 nan 8.290 nan 0.000 0.522 171 F N 2.674 122.431 119.950 -0.322 0.000 2.154 171 F HA 0.142 4.669 4.527 -0.000 0.000 0.301 171 F C 1.618 177.268 175.800 -0.251 0.000 1.087 171 F CA 2.379 60.168 58.000 -0.351 0.000 1.274 171 F CB 0.079 38.874 39.000 -0.341 0.000 1.009 171 F HN 0.624 nan 8.300 nan 0.000 0.485 172 S N -1.024 114.715 115.700 0.065 0.000 2.595 172 S HA 0.722 5.192 4.470 -0.000 0.000 0.281 172 S C -0.633 173.929 174.600 -0.062 0.000 1.117 172 S CA -0.113 58.077 58.200 -0.017 0.000 0.873 172 S CB 1.917 65.131 63.200 0.023 0.000 1.108 172 S HN 0.405 nan 8.310 nan 0.000 0.477 173 S N -0.118 115.537 115.700 -0.075 0.000 2.570 173 S HA 0.870 5.340 4.470 -0.000 0.000 0.270 173 S C -1.277 173.277 174.600 -0.077 0.000 1.149 173 S CA -0.717 57.434 58.200 -0.082 0.000 0.837 173 S CB 1.265 64.424 63.200 -0.069 0.000 1.124 173 S HN 1.964 nan 8.310 nan 0.000 0.465 174 V N 0.770 120.629 119.914 -0.092 0.000 3.167 174 V HA 0.701 4.821 4.120 -0.000 0.000 0.293 174 V C -1.875 174.157 176.094 -0.104 0.000 1.379 174 V CA -0.496 61.758 62.300 -0.077 0.000 1.019 174 V CB 2.080 33.850 31.823 -0.089 0.000 1.115 174 V HN 1.121 nan 8.190 nan 0.000 0.442 175 V N 4.167 124.037 119.914 -0.074 0.000 2.487 175 V HA 0.555 4.675 4.120 -0.000 0.000 0.298 175 V C 0.447 176.454 176.094 -0.144 0.000 1.028 175 V CA -0.062 62.138 62.300 -0.167 0.000 0.860 175 V CB 1.956 33.667 31.823 -0.187 0.000 0.991 175 V HN 1.103 nan 8.190 nan 0.000 0.427 176 T N 1.592 116.035 114.554 -0.185 0.000 2.856 176 T HA 0.086 4.436 4.350 -0.000 0.000 0.306 176 T C 1.004 175.658 174.700 -0.077 0.000 1.062 176 T CA -0.282 61.772 62.100 -0.078 0.000 1.083 176 T CB 0.844 69.689 68.868 -0.039 0.000 0.984 176 T HN 0.552 nan 8.240 nan 0.000 0.542 177 Q N 1.009 120.858 119.800 0.082 0.000 2.181 177 Q HA -0.078 4.262 4.340 -0.000 0.000 0.205 177 Q C 2.471 178.640 176.000 0.282 0.000 0.980 177 Q CA 1.882 57.827 55.803 0.238 0.000 0.862 177 Q CB -1.018 27.823 28.738 0.172 0.000 0.905 177 Q HN 0.956 nan 8.270 nan 0.000 0.429 178 A N -0.431 122.439 122.820 0.083 0.000 2.206 178 A HA 0.299 4.619 4.320 -0.000 0.000 0.211 178 A C 1.301 178.801 177.584 -0.140 0.000 1.158 178 A CA 0.991 53.064 52.037 0.060 0.000 0.761 178 A CB -0.166 18.839 19.000 0.008 0.000 0.801 178 A HN 0.412 nan 8.150 nan 0.000 0.473 179 G N -0.448 108.000 108.800 -0.586 0.000 2.164 179 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.212 179 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.212 179 G C -0.443 174.000 174.900 -0.761 0.000 1.031 179 G CA 0.073 44.307 45.100 -1.443 0.000 0.730 179 G HN 0.540 nan 8.290 nan 0.000 0.501 180 E N -0.322 119.598 120.200 -0.467 0.000 2.167 180 E HA 0.547 4.897 4.350 -0.000 0.000 0.284 180 E C 0.344 176.757 176.600 -0.313 0.000 1.016 180 E CA -0.794 55.422 56.400 -0.306 0.000 0.817 180 E CB 1.645 31.246 29.700 -0.165 0.000 1.080 180 E HN 0.298 nan 8.360 nan 0.000 0.397 181 L N 4.442 125.492 121.223 -0.288 0.000 2.367 181 L HA 0.238 4.578 4.340 -0.000 0.000 0.275 181 L C -1.131 175.626 176.870 -0.188 0.000 1.129 181 L CA -0.117 54.588 54.840 -0.225 0.000 0.839 181 L CB 0.804 42.742 42.059 -0.202 0.000 1.133 181 L HN 0.318 nan 8.230 nan 0.000 0.453 182 V N 6.931 126.727 119.914 -0.198 0.000 2.444 182 V HA 0.442 4.562 4.120 -0.000 0.000 0.294 182 V C -0.133 175.865 176.094 -0.161 0.000 1.022 182 V CA -0.591 61.569 62.300 -0.232 0.000 0.850 182 V CB 1.511 33.052 31.823 -0.471 0.000 0.992 182 V HN 0.601 nan 8.190 nan 0.000 0.426 183 L N 4.010 125.171 121.223 -0.103 0.000 2.322 183 L HA 0.733 5.073 4.340 -0.000 0.000 0.281 183 L C 0.815 177.616 176.870 -0.114 0.000 1.014 183 L CA -0.506 54.277 54.840 -0.095 0.000 0.815 183 L CB 1.863 43.880 42.059 -0.069 0.000 1.247 183 L HN 0.749 nan 8.230 nan 0.000 0.421 184 G N 1.774 110.509 108.800 -0.110 0.000 2.390 184 G HA2 0.550 4.510 3.960 -0.000 0.000 0.270 184 G HA3 0.550 4.510 3.960 -0.000 0.000 0.270 184 G C -0.396 174.444 174.900 -0.099 0.000 1.211 184 G CA -0.217 44.819 45.100 -0.107 0.000 0.842 184 G HN 0.725 nan 8.290 nan 0.000 0.519 185 A N 4.574 127.325 122.820 -0.115 0.000 2.943 185 A HA 0.651 4.971 4.320 -0.000 0.000 0.327 185 A C -1.495 176.007 177.584 -0.137 0.000 1.141 185 A CA -1.141 50.801 52.037 -0.157 0.000 0.773 185 A CB 1.589 20.466 19.000 -0.203 0.000 1.143 185 A HN 0.446 nan 8.150 nan 0.000 0.463 186 P HA -0.067 nan 4.420 nan 0.000 0.226 186 P C 1.244 178.580 177.300 0.061 0.000 1.153 186 P CA 1.602 64.640 63.100 -0.103 0.000 0.777 186 P CB 0.229 31.653 31.700 -0.460 0.000 0.794 187 G N -0.311 108.461 108.800 -0.046 0.000 3.042 187 G HA2 0.182 4.142 3.960 -0.000 0.000 0.212 187 G HA3 0.182 4.142 3.960 -0.000 0.000 0.212 187 G C 0.834 175.608 174.900 -0.209 0.000 1.166 187 G CA 0.032 45.114 45.100 -0.031 0.000 0.767 187 G HN 0.380 nan 8.290 nan 0.000 0.546 188 G N -0.552 108.135 108.800 -0.189 0.000 2.491 188 G HA2 0.301 4.261 3.960 -0.000 0.000 0.238 188 G HA3 0.301 4.261 3.960 -0.000 0.000 0.238 188 G C 0.003 174.756 174.900 -0.246 0.000 1.277 188 G CA -0.313 44.567 45.100 -0.366 0.000 0.851 188 G HN 0.396 nan 8.290 nan 0.000 0.573 189 Y N -0.561 119.671 120.300 -0.115 0.000 3.027 189 Y HA -0.223 4.327 4.550 -0.000 0.000 0.195 189 Y C 0.706 176.610 175.900 0.007 0.000 1.381 189 Y CA 0.634 58.686 58.100 -0.080 0.000 1.015 189 Y CB -2.879 35.482 38.460 -0.166 0.000 1.329 189 Y HN 0.899 nan 8.280 nan 0.000 0.462 190 Y N -0.988 119.293 120.300 -0.031 0.000 3.125 190 Y HA -0.216 4.334 4.550 -0.000 0.000 0.200 190 Y C 0.703 176.580 175.900 -0.038 0.000 1.373 190 Y CA 1.049 59.092 58.100 -0.096 0.000 1.180 190 Y CB -1.788 36.680 38.460 0.013 0.000 1.381 190 Y HN 0.476 nan 8.280 nan 0.000 0.501 191 F N -3.627 116.435 119.950 0.186 0.000 2.795 191 F HA -0.390 4.137 4.527 -0.000 0.000 0.297 191 F C 1.092 177.021 175.800 0.215 0.000 0.699 191 F CA 0.634 58.762 58.000 0.214 0.000 1.384 191 F CB -2.006 37.114 39.000 0.200 0.000 1.672 191 F HN 0.202 nan 8.300 nan 0.000 0.345 192 L N 0.048 121.436 121.223 0.276 0.000 2.068 192 L HA 0.452 4.792 4.340 -0.000 0.000 0.204 192 L C 1.602 178.663 176.870 0.318 0.000 1.076 192 L CA 1.860 56.861 54.840 0.269 0.000 0.753 192 L CB -0.799 41.385 42.059 0.208 0.000 0.910 192 L HN 0.551 nan 8.230 nan 0.000 0.439 193 G N -0.584 108.364 108.800 0.246 0.000 2.640 193 G HA2 0.272 4.232 3.960 -0.000 0.000 0.686 193 G HA3 0.272 4.232 3.960 -0.000 0.000 0.686 193 G C -1.417 173.636 174.900 0.254 0.000 1.229 193 G CA -0.461 44.808 45.100 0.282 0.000 0.796 193 G HN 0.397 nan 8.290 nan 0.000 0.654 194 L N -0.802 120.524 121.223 0.172 0.000 2.491 194 L HA 1.020 5.360 4.340 -0.000 0.000 0.254 194 L C -1.070 175.885 176.870 0.143 0.000 1.048 194 L CA -1.508 53.412 54.840 0.132 0.000 0.855 194 L CB 1.595 43.457 42.059 -0.330 0.000 1.466 194 L HN 0.726 nan 8.230 nan 0.000 0.409 195 L N 1.459 122.742 121.223 0.100 0.000 2.346 195 L HA 0.960 5.300 4.340 -0.000 0.000 0.274 195 L C -0.258 176.543 176.870 -0.116 0.000 1.007 195 L CA -0.290 54.528 54.840 -0.036 0.000 0.818 195 L CB 1.789 43.869 42.059 0.035 0.000 1.284 195 L HN 1.027 nan 8.230 nan 0.000 0.424 196 A N 3.239 126.029 122.820 -0.050 0.000 2.356 196 A HA 0.777 5.097 4.320 -0.000 0.000 0.310 196 A C -1.191 176.457 177.584 0.107 0.000 1.075 196 A CA -0.479 51.571 52.037 0.021 0.000 0.746 196 A CB 1.616 20.582 19.000 -0.058 0.000 1.221 196 A HN 0.544 nan 8.150 nan 0.000 0.443 197 Q N 1.321 121.218 119.800 0.162 0.000 2.372 197 Q HA 0.762 5.102 4.340 -0.000 0.000 0.273 197 Q C -1.510 174.497 176.000 0.013 0.000 1.078 197 Q CA -0.454 55.388 55.803 0.065 0.000 0.806 197 Q CB 2.197 30.983 28.738 0.079 0.000 1.332 197 Q HN 1.480 nan 8.270 nan 0.000 0.435 198 A N 4.172 126.899 122.820 -0.155 0.000 2.589 198 A HA 0.685 5.005 4.320 -0.000 0.000 0.296 198 A C -2.827 174.603 177.584 -0.256 0.000 1.062 198 A CA -1.227 50.673 52.037 -0.230 0.000 0.686 198 A CB 1.669 20.409 19.000 -0.434 0.000 1.282 198 A HN 0.553 nan 8.150 nan 0.000 0.404 199 P HA 0.192 nan 4.420 nan 0.000 0.268 199 P C 1.116 178.315 177.300 -0.167 0.000 1.204 199 P CA -0.073 62.923 63.100 -0.174 0.000 0.768 199 P CB 0.745 32.386 31.700 -0.099 0.000 0.842 200 V N 3.394 123.202 119.914 -0.177 0.000 2.332 200 V HA -0.311 3.809 4.120 -0.000 0.000 0.248 200 V C 2.345 178.532 176.094 0.156 0.000 1.055 200 V CA 2.726 65.010 62.300 -0.026 0.000 1.038 200 V CB -1.542 30.287 31.823 0.011 0.000 0.651 200 V HN 0.668 nan 8.190 nan 0.000 0.450 201 A N -0.159 122.723 122.820 0.103 0.000 1.940 201 A HA -0.257 4.063 4.320 -0.000 0.000 0.219 201 A C 1.936 179.605 177.584 0.142 0.000 1.176 201 A CA 2.156 54.279 52.037 0.142 0.000 0.631 201 A CB -0.541 18.510 19.000 0.086 0.000 0.814 201 A HN 0.556 nan 8.150 nan 0.000 0.446 202 D N -0.456 119.985 120.400 0.070 0.000 2.234 202 D HA 0.023 4.663 4.640 -0.000 0.000 0.205 202 D C 1.770 178.116 176.300 0.077 0.000 0.962 202 D CA 0.516 54.554 54.000 0.064 0.000 0.855 202 D CB -0.224 40.588 40.800 0.021 0.000 0.951 202 D HN 0.514 nan 8.370 nan 0.000 0.500 203 I N -0.058 120.520 120.570 0.013 0.000 2.179 203 I HA -0.264 3.906 4.170 -0.000 0.000 0.242 203 I C 1.923 178.061 176.117 0.034 0.000 1.088 203 I CA 0.915 62.201 61.300 -0.025 0.000 1.357 203 I CB -0.174 37.688 38.000 -0.230 0.000 1.051 203 I HN -0.094 nan 8.210 nan 0.000 0.409 204 F N 0.908 120.882 119.950 0.041 0.000 2.134 204 F HA -0.246 4.281 4.527 0.000 0.000 0.299 204 F C 2.940 178.785 175.800 0.075 0.000 1.097 204 F CA 1.852 59.886 58.000 0.057 0.000 1.264 204 F CB -0.568 38.460 39.000 0.047 0.000 1.001 204 F HN 0.129 nan 8.300 nan 0.000 0.479 205 S N -1.265 114.582 115.700 0.245 0.000 2.489 205 S HA -0.093 4.377 4.470 -0.000 0.000 0.228 205 S C 1.885 176.552 174.600 0.112 0.000 0.995 205 S CA 0.830 59.123 58.200 0.155 0.000 0.934 205 S CB -0.647 62.624 63.200 0.119 0.000 0.771 205 S HN 0.338 nan 8.310 nan 0.000 0.522 206 S N -0.680 115.100 115.700 0.133 0.000 2.503 206 S HA 0.208 4.678 4.470 -0.000 0.000 0.215 206 S C 0.309 174.869 174.600 -0.068 0.000 1.003 206 S CA -0.683 57.593 58.200 0.128 0.000 0.910 206 S CB -0.690 62.678 63.200 0.279 0.000 0.790 206 S HN 0.615 nan 8.310 nan 0.000 0.514 207 Y N 3.294 123.434 120.300 -0.266 0.000 2.319 207 Y HA 0.617 5.167 4.550 -0.000 0.000 0.328 207 Y C 0.036 175.660 175.900 -0.460 0.000 1.133 207 Y CA -0.696 57.009 58.100 -0.659 0.000 1.265 207 Y CB 0.543 38.705 38.460 -0.497 0.000 1.218 207 Y HN 0.035 nan 8.280 nan 0.000 0.508 208 R N 6.519 126.234 120.500 -1.309 0.000 2.725 208 R HA 0.396 4.736 4.340 -0.000 0.000 0.277 208 R C -2.937 172.564 176.300 -1.331 0.000 0.987 208 R CA -2.365 53.143 56.100 -0.988 0.000 0.901 208 R CB 1.497 31.498 30.300 -0.498 0.000 1.207 208 R HN 0.552 nan 8.270 nan 0.000 0.463 209 P HA 0.082 nan 4.420 nan 0.000 0.271 209 P C 0.600 177.722 177.300 -0.297 0.000 1.218 209 P CA 0.449 63.278 63.100 -0.452 0.000 0.780 209 P CB 0.671 32.309 31.700 -0.103 0.000 0.901 210 G N 2.001 110.699 108.800 -0.171 0.000 2.199 210 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.254 210 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.254 210 G C 0.819 175.683 174.900 -0.060 0.000 0.982 210 G CA 0.126 45.179 45.100 -0.078 0.000 0.632 210 G HN 0.452 nan 8.290 nan 0.000 0.529 211 I N 0.235 120.727 120.570 -0.129 0.000 2.400 211 I HA 0.140 4.310 4.170 -0.000 0.000 0.248 211 I C 2.671 178.887 176.117 0.164 0.000 1.109 211 I CA 1.878 63.161 61.300 -0.029 0.000 1.425 211 I CB -0.948 36.976 38.000 -0.127 0.000 1.094 211 I HN 0.463 nan 8.210 nan 0.000 0.425 212 L N -1.297 120.098 121.223 0.287 0.000 3.417 212 L HA -0.288 4.051 4.340 -0.000 0.000 0.368 212 L C 0.483 177.568 176.870 0.360 0.000 0.810 212 L CA 1.149 56.248 54.840 0.431 0.000 3.108 212 L CB -1.259 41.032 42.059 0.386 0.000 0.687 212 L HN 0.136 nan 8.230 nan 0.000 0.756 213 L N 0.102 121.496 121.223 0.286 0.000 2.316 213 L HA 0.488 4.828 4.340 -0.000 0.000 0.280 213 L C -0.745 176.178 176.870 0.088 0.000 1.006 213 L CA -0.424 54.420 54.840 0.007 0.000 0.836 213 L CB 1.339 43.409 42.059 0.020 0.000 1.221 213 L HN 0.339 nan 8.230 nan 0.000 0.418 214 W N 2.659 123.823 121.300 -0.227 0.000 3.075 214 W HA 0.502 5.162 4.660 -0.000 0.000 0.334 214 W C -1.263 175.098 176.519 -0.264 0.000 1.243 214 W CA -0.878 56.323 57.345 -0.241 0.000 1.170 214 W CB 0.667 30.061 29.460 -0.111 0.000 1.452 214 W HN 0.201 nan 8.180 nan 0.000 0.572 215 H N 1.180 120.346 119.070 0.160 0.000 2.489 215 H HA 0.469 5.025 4.556 -0.000 0.000 0.322 215 H C -0.638 174.782 175.328 0.153 0.000 1.091 215 H CA -0.632 55.449 56.048 0.055 0.000 1.291 215 H CB 1.970 31.770 29.762 0.063 0.000 1.436 215 H HN 0.327 nan 8.280 nan 0.000 0.480 216 V N 3.591 123.621 119.914 0.193 0.000 2.257 216 V HA -0.004 4.116 4.120 -0.000 0.000 0.269 216 V C 1.418 177.589 176.094 0.128 0.000 1.040 216 V CA -0.255 62.157 62.300 0.187 0.000 0.813 216 V CB 0.867 32.798 31.823 0.180 0.000 1.065 216 V HN 0.868 nan 8.190 nan 0.000 0.457 217 S N 2.583 118.351 115.700 0.113 0.000 2.453 217 S HA -0.107 4.363 4.470 -0.000 0.000 0.231 217 S C 1.754 176.385 174.600 0.052 0.000 1.005 217 S CA 1.109 59.349 58.200 0.067 0.000 0.949 217 S CB -0.138 63.088 63.200 0.044 0.000 0.774 217 S HN 0.817 nan 8.310 nan 0.000 0.510 218 S N 1.069 116.797 115.700 0.047 0.000 2.603 218 S HA 0.093 4.563 4.470 -0.000 0.000 0.220 218 S C 0.709 175.327 174.600 0.030 0.000 0.967 218 S CA -0.494 57.724 58.200 0.031 0.000 0.920 218 S CB -0.693 62.514 63.200 0.013 0.000 0.773 218 S HN 0.877 nan 8.310 nan 0.000 0.529 219 Q N 1.014 120.845 119.800 0.052 0.000 2.368 219 Q HA 0.583 4.923 4.340 -0.000 0.000 0.237 219 Q C -0.558 175.504 176.000 0.103 0.000 0.987 219 Q CA -0.526 55.322 55.803 0.075 0.000 0.896 219 Q CB 0.774 29.592 28.738 0.134 0.000 1.241 219 Q HN 0.115 nan 8.270 nan 0.000 0.485 220 S N 1.725 117.511 115.700 0.143 0.000 2.614 220 S HA 0.539 5.008 4.470 -0.000 0.000 0.275 220 S C -1.605 173.155 174.600 0.268 0.000 1.161 220 S CA -0.723 57.604 58.200 0.211 0.000 0.969 220 S CB 0.917 64.245 63.200 0.214 0.000 1.059 220 S HN 0.527 nan 8.310 nan 0.000 0.482 221 L N 3.696 125.004 121.223 0.142 0.000 2.334 221 L HA 0.635 4.975 4.340 -0.000 0.000 0.272 221 L C 0.958 177.552 176.870 -0.460 0.000 1.020 221 L CA -0.121 54.676 54.840 -0.072 0.000 0.812 221 L CB 1.939 43.993 42.059 -0.009 0.000 1.264 221 L HN 0.860 nan 8.230 nan 0.000 0.439 222 S N 0.499 115.660 115.700 -0.899 0.000 2.602 222 S HA 0.535 5.005 4.470 -0.000 0.000 0.257 222 S C -0.272 173.973 174.600 -0.593 0.000 1.250 222 S CA -0.314 57.170 58.200 -1.194 0.000 0.986 222 S CB 0.167 62.844 63.200 -0.871 0.000 1.040 222 S HN 0.221 nan 8.310 nan 0.000 0.562 223 F N -0.435 119.503 119.950 -0.021 0.000 2.561 223 F HA 0.466 4.993 4.527 -0.000 0.000 0.321 223 F C 0.643 176.049 175.800 -0.657 0.000 1.065 223 F CA -1.190 56.736 58.000 -0.124 0.000 0.934 223 F CB 1.052 40.023 39.000 -0.047 0.000 1.215 223 F HN 0.488 nan 8.300 nan 0.000 0.471 224 D N 0.538 120.123 120.400 -1.358 0.000 2.371 224 D HA 0.316 4.956 4.640 -0.000 0.000 0.242 224 D C -0.717 175.174 176.300 -0.681 0.000 1.218 224 D CA 0.405 53.572 54.000 -1.390 0.000 0.945 224 D CB 1.505 41.040 40.800 -2.108 0.000 1.137 224 D HN 0.464 nan 8.370 nan 0.000 0.464 225 S N -1.069 114.365 115.700 -0.443 0.000 2.556 225 S HA 0.359 4.829 4.470 -0.000 0.000 0.271 225 S C 0.306 174.886 174.600 -0.035 0.000 1.135 225 S CA -0.178 57.878 58.200 -0.240 0.000 0.858 225 S CB 1.133 64.159 63.200 -0.289 0.000 1.114 225 S HN 0.374 nan 8.310 nan 0.000 0.468 226 S N 2.283 117.989 115.700 0.010 0.000 2.556 226 S HA 0.179 4.649 4.470 -0.000 0.000 0.216 226 S C 0.367 175.037 174.600 0.116 0.000 0.970 226 S CA -0.192 58.081 58.200 0.121 0.000 0.912 226 S CB -0.432 62.795 63.200 0.046 0.000 0.790 226 S HN 0.621 nan 8.310 nan 0.000 0.504 227 N N 3.251 121.968 118.700 0.027 0.000 2.411 227 N HA 0.315 5.055 4.740 -0.000 0.000 0.259 227 N C -2.149 173.016 175.510 -0.576 0.000 1.103 227 N CA -2.227 50.755 53.050 -0.113 0.000 0.954 227 N CB 1.389 39.931 38.487 0.091 0.000 1.085 227 N HN -0.035 nan 8.380 nan 0.000 0.485 228 P HA -0.079 nan 4.420 nan 0.000 0.222 228 P C 0.530 177.006 177.300 -1.373 0.000 1.147 228 P CA 1.027 63.047 63.100 -1.801 0.000 0.790 228 P CB 0.316 31.508 31.700 -0.847 0.000 0.780 229 E N -1.366 118.293 120.200 -0.900 0.000 2.171 229 E HA -0.212 4.138 4.350 -0.000 0.000 0.197 229 E C 1.295 177.170 176.600 -1.208 0.000 0.997 229 E CA 1.161 56.891 56.400 -1.118 0.000 0.810 229 E CB -0.499 28.662 29.700 -0.899 0.000 0.738 229 E HN 0.437 nan 8.360 nan 0.000 0.467 230 Y N -0.614 119.375 120.300 -0.519 0.000 2.517 230 Y HA 0.071 4.621 4.550 -0.000 0.000 0.281 230 Y C 0.635 176.523 175.900 -0.021 0.000 1.125 230 Y CA -0.141 57.890 58.100 -0.115 0.000 1.283 230 Y CB 0.213 38.703 38.460 0.049 0.000 1.042 230 Y HN -0.108 nan 8.280 nan 0.000 0.547 231 F N 2.230 122.029 119.950 -0.252 0.000 2.572 231 F HA -0.062 4.465 4.527 -0.000 0.000 0.370 231 F C 0.601 176.233 175.800 -0.280 0.000 1.103 231 F CA -0.341 57.533 58.000 -0.211 0.000 1.286 231 F CB 0.350 39.190 39.000 -0.267 0.000 1.105 231 F HN 0.262 nan 8.300 nan 0.000 0.583 232 D N 2.088 122.505 120.400 0.029 0.000 2.737 232 D HA -0.185 4.455 4.640 -0.000 0.000 0.233 232 D C 1.121 177.073 176.300 -0.579 0.000 1.155 232 D CA 0.824 54.673 54.000 -0.251 0.000 0.667 232 D CB -1.394 39.260 40.800 -0.243 0.000 1.060 232 D HN 0.877 nan 8.370 nan 0.000 0.427 233 G N -0.684 107.976 108.800 -0.235 0.000 2.683 233 G HA2 -0.043 3.917 3.960 -0.000 0.000 0.213 233 G HA3 -0.043 3.917 3.960 -0.000 0.000 0.213 233 G C 0.454 175.386 174.900 0.053 0.000 1.142 233 G CA -0.118 44.934 45.100 -0.081 0.000 0.793 233 G HN 0.314 nan 8.290 nan 0.000 0.534 234 Y N -2.369 118.086 120.300 0.258 0.000 3.389 234 Y HA -0.163 4.387 4.550 -0.000 0.000 0.213 234 Y C 0.502 176.558 175.900 0.261 0.000 1.272 234 Y CA -0.598 57.643 58.100 0.234 0.000 1.444 234 Y CB -2.572 36.037 38.460 0.248 0.000 1.445 234 Y HN 0.460 nan 8.280 nan 0.000 0.583 235 W N 1.734 123.176 121.300 0.237 0.000 2.591 235 W HA 0.406 5.066 4.660 -0.000 0.000 0.330 235 W C 1.155 177.731 176.519 0.095 0.000 1.435 235 W CA 1.838 59.286 57.345 0.172 0.000 1.350 235 W CB 0.221 29.812 29.460 0.219 0.000 1.434 235 W HN 0.642 nan 8.180 nan 0.000 0.553 236 G N 3.944 112.682 108.800 -0.103 0.000 2.192 236 G HA2 -0.401 3.559 3.960 -0.000 0.000 0.193 236 G HA3 -0.401 3.559 3.960 -0.000 0.000 0.193 236 G C 0.450 175.320 174.900 -0.050 0.000 0.999 236 G CA 0.072 45.088 45.100 -0.139 0.000 0.659 236 G HN 0.626 nan 8.290 nan 0.000 0.503 237 Y N 2.316 122.547 120.300 -0.114 0.000 2.224 237 Y HA 0.204 4.754 4.550 -0.000 0.000 0.289 237 Y C 1.681 177.618 175.900 0.060 0.000 1.146 237 Y CA 2.308 60.367 58.100 -0.069 0.000 1.182 237 Y CB 0.218 38.696 38.460 0.030 0.000 0.983 237 Y HN 0.668 nan 8.280 nan 0.000 0.524 238 S N -0.466 115.329 115.700 0.158 0.000 2.569 238 S HA 0.719 5.189 4.470 -0.000 0.000 0.280 238 S C -1.042 173.511 174.600 -0.079 0.000 1.111 238 S CA -0.226 57.996 58.200 0.036 0.000 0.887 238 S CB 2.023 65.235 63.200 0.020 0.000 1.095 238 S HN 0.384 nan 8.310 nan 0.000 0.476 239 V N -1.785 118.074 119.914 -0.093 0.000 3.049 239 V HA 1.070 5.190 4.120 -0.000 0.000 0.309 239 V C -0.314 175.723 176.094 -0.096 0.000 1.148 239 V CA -0.509 61.711 62.300 -0.133 0.000 0.990 239 V CB 0.882 32.602 31.823 -0.171 0.000 1.039 239 V HN 1.845 nan 8.190 nan 0.000 0.430 240 A N 1.844 124.616 122.820 -0.080 0.000 2.599 240 A HA 1.025 5.345 4.320 -0.000 0.000 0.290 240 A C -0.735 176.862 177.584 0.023 0.000 1.101 240 A CA -0.139 51.880 52.037 -0.031 0.000 0.674 240 A CB 1.793 20.783 19.000 -0.017 0.000 1.277 240 A HN 2.505 nan 8.150 nan 0.000 0.419 241 V N -2.381 117.570 119.914 0.061 0.000 3.102 241 V HA 1.077 5.197 4.120 -0.000 0.000 0.312 241 V C 0.082 176.264 176.094 0.147 0.000 1.135 241 V CA 0.067 62.459 62.300 0.152 0.000 1.022 241 V CB 1.291 33.197 31.823 0.138 0.000 1.056 241 V HN 2.512 nan 8.190 nan 0.000 0.436 242 G N 0.913 109.852 108.800 0.232 0.000 2.342 242 G HA2 0.521 4.481 3.960 -0.000 0.000 0.297 242 G HA3 0.521 4.481 3.960 -0.000 0.000 0.297 242 G C -1.973 173.055 174.900 0.214 0.000 1.313 242 G CA -0.301 44.901 45.100 0.169 0.000 0.830 242 G HN 1.134 nan 8.290 nan 0.000 0.506 243 E N -0.324 119.938 120.200 0.103 0.000 2.102 243 E HA 0.705 5.055 4.350 -0.000 0.000 0.263 243 E C -0.940 175.446 176.600 -0.356 0.000 0.894 243 E CA -0.766 55.581 56.400 -0.090 0.000 0.746 243 E CB 0.677 30.269 29.700 -0.181 0.000 1.129 243 E HN 0.279 nan 8.360 nan 0.000 0.416 244 F N 1.916 121.927 119.950 0.102 0.000 2.798 244 F HA 0.180 4.707 4.527 -0.000 0.000 0.328 244 F C 0.844 176.698 175.800 0.089 0.000 1.098 244 F CA -0.252 57.817 58.000 0.115 0.000 1.172 244 F CB 0.934 40.025 39.000 0.153 0.000 1.072 244 F HN 0.431 nan 8.300 nan 0.000 0.555 245 D N -1.154 119.345 120.400 0.165 0.000 2.469 245 D HA 0.236 4.876 4.640 -0.000 0.000 0.215 245 D C 1.763 178.084 176.300 0.035 0.000 1.154 245 D CA 0.594 54.648 54.000 0.090 0.000 0.832 245 D CB 0.195 41.025 40.800 0.050 0.000 1.008 245 D HN 0.222 nan 8.370 nan 0.000 0.506 246 G N 0.801 109.609 108.800 0.013 0.000 2.212 246 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.266 246 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.266 246 G C -0.116 174.770 174.900 -0.024 0.000 0.978 246 G CA 0.359 45.448 45.100 -0.019 0.000 0.632 246 G HN 0.586 nan 8.290 nan 0.000 0.537 247 D N 0.168 120.560 120.400 -0.013 0.000 2.412 247 D HA 0.428 5.068 4.640 -0.000 0.000 0.224 247 D C 1.389 177.678 176.300 -0.020 0.000 1.093 247 D CA -0.657 53.334 54.000 -0.014 0.000 0.850 247 D CB 0.751 41.548 40.800 -0.005 0.000 1.046 247 D HN 0.126 nan 8.370 nan 0.000 0.507 248 L N 4.111 125.318 121.223 -0.027 0.000 2.456 248 L HA -0.006 4.334 4.340 -0.000 0.000 0.224 248 L C 0.926 177.785 176.870 -0.019 0.000 1.148 248 L CA 0.749 55.570 54.840 -0.031 0.000 0.825 248 L CB 0.018 42.055 42.059 -0.037 0.000 0.937 248 L HN 0.263 nan 8.230 nan 0.000 0.450 249 N N -0.650 118.042 118.700 -0.014 0.000 2.336 249 N HA 0.028 4.768 4.740 -0.000 0.000 0.189 249 N C 0.191 175.691 175.510 -0.017 0.000 1.113 249 N CA 0.773 53.816 53.050 -0.010 0.000 0.858 249 N CB 0.055 38.539 38.487 -0.004 0.000 0.970 249 N HN 0.384 nan 8.380 nan 0.000 0.471 250 T N -1.778 112.763 114.554 -0.021 0.000 2.823 250 T HA 0.500 4.850 4.350 -0.000 0.000 0.279 250 T C -0.063 174.610 174.700 -0.046 0.000 0.998 250 T CA -0.650 61.423 62.100 -0.045 0.000 0.994 250 T CB 2.035 70.882 68.868 -0.036 0.000 0.960 250 T HN -0.213 nan 8.240 nan 0.000 0.448 251 T N 3.356 117.861 114.554 -0.081 0.000 2.795 251 T HA 0.497 4.847 4.350 -0.000 0.000 0.282 251 T C -0.291 174.322 174.700 -0.144 0.000 0.980 251 T CA -0.631 61.444 62.100 -0.042 0.000 1.012 251 T CB 1.179 70.058 68.868 0.019 0.000 0.936 251 T HN 0.649 nan 8.240 nan 0.000 0.457 252 E N 1.535 121.732 120.200 -0.004 0.000 2.248 252 E HA 0.493 4.843 4.350 -0.000 0.000 0.272 252 E C -1.002 175.687 176.600 0.149 0.000 1.008 252 E CA -0.551 55.837 56.400 -0.019 0.000 0.856 252 E CB 0.674 30.489 29.700 0.192 0.000 1.120 252 E HN 0.443 nan 8.360 nan 0.000 0.397 253 Y N 0.051 120.375 120.300 0.040 0.000 2.387 253 Y HA 0.524 5.074 4.550 -0.000 0.000 0.336 253 Y C -0.195 175.684 175.900 -0.036 0.000 1.067 253 Y CA -1.379 56.723 58.100 0.004 0.000 1.114 253 Y CB 1.136 39.593 38.460 -0.004 0.000 1.208 253 Y HN 0.142 nan 8.280 nan 0.000 0.458 254 V N 3.765 123.732 119.914 0.089 0.000 2.448 254 V HA 0.609 4.729 4.120 -0.000 0.000 0.295 254 V C -0.698 175.309 176.094 -0.145 0.000 1.025 254 V CA -0.854 61.404 62.300 -0.069 0.000 0.859 254 V CB 1.803 33.569 31.823 -0.094 0.000 0.988 254 V HN 0.512 nan 8.190 nan 0.000 0.431 255 V N 3.463 123.231 119.914 -0.244 0.000 2.577 255 V HA 0.707 4.827 4.120 -0.000 0.000 0.303 255 V C 0.563 176.437 176.094 -0.366 0.000 1.042 255 V CA -0.457 61.588 62.300 -0.425 0.000 0.872 255 V CB 2.004 33.297 31.823 -0.883 0.000 0.998 255 V HN 0.947 nan 8.190 nan 0.000 0.423 256 G N 2.870 111.512 108.800 -0.264 0.000 2.372 256 G HA2 0.614 4.574 3.960 -0.000 0.000 0.283 256 G HA3 0.614 4.574 3.960 -0.000 0.000 0.283 256 G C -0.151 174.687 174.900 -0.102 0.000 1.177 256 G CA -0.005 45.001 45.100 -0.157 0.000 0.842 256 G HN 1.213 nan 8.290 nan 0.000 0.503 257 A N 4.175 126.986 122.820 -0.014 0.000 3.082 257 A HA 0.643 4.963 4.320 -0.000 0.000 0.328 257 A C -1.668 175.960 177.584 0.073 0.000 1.089 257 A CA -1.058 51.060 52.037 0.135 0.000 0.802 257 A CB 1.544 20.736 19.000 0.319 0.000 1.138 257 A HN 0.437 nan 8.150 nan 0.000 0.474 258 P HA -0.048 nan 4.420 nan 0.000 0.233 258 P C 0.942 177.997 177.300 -0.409 0.000 1.167 258 P CA 1.424 64.308 63.100 -0.360 0.000 0.770 258 P CB 0.046 31.212 31.700 -0.891 0.000 0.837 259 T N -6.923 107.486 114.554 -0.243 0.000 3.182 259 T HA 0.126 4.476 4.350 -0.000 0.000 0.277 259 T C -0.000 174.636 174.700 -0.106 0.000 1.013 259 T CA -0.751 61.233 62.100 -0.193 0.000 0.900 259 T CB -0.887 67.819 68.868 -0.270 0.000 1.098 259 T HN -0.061 nan 8.240 nan 0.000 0.543 260 W N 2.731 123.927 121.300 -0.172 0.000 2.314 260 W HA 0.350 5.010 4.660 -0.000 0.000 0.339 260 W C 0.696 177.099 176.519 -0.195 0.000 1.293 260 W CA 1.256 58.486 57.345 -0.192 0.000 1.288 260 W CB 0.129 29.506 29.460 -0.138 0.000 1.186 260 W HN 0.351 nan 8.180 nan 0.000 0.566 261 S N 6.796 121.816 115.700 -1.134 0.000 3.477 261 S HA -0.235 4.235 4.470 -0.000 0.000 0.426 261 S C 0.091 174.580 174.600 -0.185 0.000 0.874 261 S CA 0.660 58.300 58.200 -0.934 0.000 1.341 261 S CB -1.549 60.930 63.200 -1.203 0.000 0.917 261 S HN 0.997 nan 8.310 nan 0.000 0.607 262 W N 0.281 121.384 121.300 -0.327 0.000 5.963 262 W HA -0.345 4.315 4.660 -0.000 0.000 0.400 262 W C 1.289 177.737 176.519 -0.118 0.000 1.530 262 W CA 1.439 58.672 57.345 -0.187 0.000 1.004 262 W CB -3.034 26.322 29.460 -0.172 0.000 2.706 262 W HN 1.809 nan 8.180 nan 0.000 1.495 263 T N -5.007 109.548 114.554 0.003 0.000 5.888 263 T HA -0.372 3.978 4.350 -0.000 0.000 0.275 263 T C 0.796 175.537 174.700 0.069 0.000 2.123 263 T CA 1.282 63.400 62.100 0.030 0.000 3.523 263 T CB -1.672 67.243 68.868 0.079 0.000 1.240 263 T HN 0.274 nan 8.240 nan 0.000 1.133 264 L N 1.733 123.000 121.223 0.073 0.000 2.046 264 L HA 0.459 4.799 4.340 -0.000 0.000 0.208 264 L C 1.634 178.572 176.870 0.114 0.000 1.077 264 L CA 2.879 57.774 54.840 0.092 0.000 0.747 264 L CB -0.876 41.240 42.059 0.096 0.000 0.896 264 L HN 1.643 nan 8.230 nan 0.000 0.432 265 G N -1.705 107.200 108.800 0.176 0.000 2.705 265 G HA2 0.362 4.322 3.960 -0.000 0.000 0.686 265 G HA3 0.362 4.322 3.960 -0.000 0.000 0.686 265 G C -0.684 174.374 174.900 0.262 0.000 1.285 265 G CA -0.328 44.900 45.100 0.213 0.000 0.800 265 G HN 1.081 nan 8.290 nan 0.000 0.611 266 A N -0.350 122.623 122.820 0.255 0.000 2.601 266 A HA 0.963 5.283 4.320 -0.000 0.000 0.291 266 A C -0.825 176.808 177.584 0.082 0.000 1.075 266 A CA 0.089 52.164 52.037 0.064 0.000 0.671 266 A CB 1.855 20.555 19.000 -0.500 0.000 1.277 266 A HN 2.157 nan 8.150 nan 0.000 0.417 267 V N 1.000 120.935 119.914 0.036 0.000 2.656 267 V HA 0.561 4.681 4.120 -0.000 0.000 0.307 267 V C -0.448 175.552 176.094 -0.158 0.000 1.051 267 V CA -0.447 61.794 62.300 -0.099 0.000 0.893 267 V CB 1.820 33.559 31.823 -0.141 0.000 0.999 267 V HN 0.925 nan 8.190 nan 0.000 0.426 268 E N 3.747 123.864 120.200 -0.139 0.000 2.238 268 E HA 0.627 4.977 4.350 -0.000 0.000 0.267 268 E C -1.331 175.225 176.600 -0.073 0.000 0.887 268 E CA -0.732 55.631 56.400 -0.063 0.000 0.769 268 E CB 3.007 32.781 29.700 0.123 0.000 1.187 268 E HN 0.509 nan 8.360 nan 0.000 0.416 269 I N 3.702 124.238 120.570 -0.056 0.000 2.354 269 I HA 0.342 4.512 4.170 -0.000 0.000 0.292 269 I C -0.846 175.275 176.117 0.007 0.000 0.989 269 I CA -0.565 60.690 61.300 -0.075 0.000 1.188 269 I CB 0.702 38.609 38.000 -0.155 0.000 1.342 269 I HN 0.225 nan 8.210 nan 0.000 0.457 270 L N 4.688 125.938 121.223 0.046 0.000 2.350 270 L HA 0.538 4.878 4.340 -0.000 0.000 0.260 270 L C -0.468 176.362 176.870 -0.067 0.000 1.015 270 L CA -0.925 53.952 54.840 0.060 0.000 0.821 270 L CB 1.338 43.530 42.059 0.222 0.000 1.370 270 L HN 0.512 nan 8.230 nan 0.000 0.416 271 D N -0.836 119.513 120.400 -0.085 0.000 2.433 271 D HA 0.121 4.761 4.640 -0.000 0.000 0.255 271 D C 0.891 176.902 176.300 -0.481 0.000 1.226 271 D CA -0.112 53.767 54.000 -0.200 0.000 1.015 271 D CB 0.623 41.400 40.800 -0.039 0.000 1.091 271 D HN 0.543 nan 8.370 nan 0.000 0.527 272 S N -1.779 113.527 115.700 -0.657 0.000 2.607 272 S HA -0.068 4.402 4.470 -0.000 0.000 0.224 272 S C 1.062 175.099 174.600 -0.939 0.000 0.969 272 S CA 0.003 57.591 58.200 -1.021 0.000 0.927 272 S CB -0.800 61.894 63.200 -0.844 0.000 0.772 272 S HN 0.524 nan 8.310 nan 0.000 0.533 273 Y N 0.029 120.121 120.300 -0.348 0.000 2.461 273 Y HA 0.306 4.856 4.550 -0.000 0.000 0.277 273 Y C -0.145 175.769 175.900 0.024 0.000 1.182 273 Y CA -0.774 57.233 58.100 -0.155 0.000 1.276 273 Y CB -0.549 37.917 38.460 0.009 0.000 1.087 273 Y HN 0.183 nan 8.280 nan 0.000 0.519 274 Y N -1.597 118.822 120.300 0.197 0.000 4.569 274 Y HA -0.267 4.283 4.550 -0.000 0.000 0.237 274 Y C 0.057 176.124 175.900 0.278 0.000 1.090 274 Y CA -0.493 57.751 58.100 0.240 0.000 2.052 274 Y CB -2.382 36.162 38.460 0.139 0.000 1.621 274 Y HN 0.146 nan 8.280 nan 0.000 0.682 275 Q N 1.099 121.085 119.800 0.309 0.000 2.267 275 Q HA 0.326 4.666 4.340 -0.000 0.000 0.255 275 Q C 0.588 176.684 176.000 0.159 0.000 0.923 275 Q CA -0.465 55.472 55.803 0.224 0.000 0.925 275 Q CB 1.169 30.000 28.738 0.156 0.000 1.195 275 Q HN 0.424 nan 8.270 nan 0.000 0.417 276 R N 2.981 123.567 120.500 0.144 0.000 2.347 276 R HA 0.164 4.504 4.340 -0.000 0.000 0.304 276 R C 0.543 176.854 176.300 0.019 0.000 1.072 276 R CA 0.067 56.233 56.100 0.111 0.000 0.980 276 R CB 0.251 30.629 30.300 0.129 0.000 0.986 276 R HN 0.657 nan 8.270 nan 0.000 0.448 277 L N 2.965 124.156 121.223 -0.053 0.000 2.286 277 L HA 0.219 4.559 4.340 -0.000 0.000 0.203 277 L C 0.418 177.059 176.870 -0.382 0.000 1.068 277 L CA 0.176 54.878 54.840 -0.231 0.000 0.811 277 L CB 0.021 41.901 42.059 -0.299 0.000 0.989 277 L HN 0.607 nan 8.230 nan 0.000 0.467 278 H N -0.364 118.686 119.070 -0.033 0.000 2.851 278 H HA 0.495 5.051 4.556 -0.000 0.000 0.372 278 H C -1.163 174.098 175.328 -0.111 0.000 1.158 278 H CA -0.628 55.373 56.048 -0.078 0.000 1.159 278 H CB 2.551 32.231 29.762 -0.138 0.000 1.757 278 H HN -0.081 nan 8.280 nan 0.000 0.546 279 R N 2.454 122.954 120.500 -0.000 0.000 2.532 279 R HA 0.430 4.770 4.340 -0.000 0.000 0.297 279 R C -1.370 174.816 176.300 -0.190 0.000 0.984 279 R CA -0.671 55.348 56.100 -0.135 0.000 0.884 279 R CB 1.130 31.310 30.300 -0.199 0.000 1.182 279 R HN 0.480 nan 8.270 nan 0.000 0.442 280 L N 5.237 126.313 121.223 -0.244 0.000 2.272 280 L HA 0.535 4.875 4.340 -0.000 0.000 0.289 280 L C 0.208 176.925 176.870 -0.255 0.000 1.032 280 L CA -0.762 53.916 54.840 -0.269 0.000 0.810 280 L CB 1.526 43.350 42.059 -0.391 0.000 1.205 280 L HN 0.505 nan 8.230 nan 0.000 0.422 281 R N 1.467 121.779 120.500 -0.314 0.000 2.459 281 R HA 0.457 4.797 4.340 -0.000 0.000 0.281 281 R C 0.473 176.275 176.300 -0.830 0.000 1.050 281 R CA -0.532 55.352 56.100 -0.360 0.000 1.055 281 R CB 1.071 31.293 30.300 -0.130 0.000 1.045 281 R HN 0.756 nan 8.270 nan 0.000 0.495 282 G N 0.258 108.551 108.800 -0.844 0.000 2.636 282 G HA2 -0.074 3.886 3.960 -0.000 0.000 0.246 282 G HA3 -0.074 3.886 3.960 -0.000 0.000 0.246 282 G C 0.191 174.814 174.900 -0.462 0.000 1.216 282 G CA -0.280 44.181 45.100 -1.066 0.000 0.854 282 G HN 0.811 nan 8.290 nan 0.000 0.572 283 E N -0.860 119.184 120.200 -0.260 0.000 2.166 283 E HA 0.036 4.386 4.350 -0.000 0.000 0.192 283 E C 0.841 177.523 176.600 0.137 0.000 0.967 283 E CA 0.295 56.705 56.400 0.017 0.000 0.840 283 E CB 0.168 29.992 29.700 0.208 0.000 0.795 283 E HN 0.511 nan 8.360 nan 0.000 0.470 284 Q N 0.669 120.593 119.800 0.206 0.000 2.305 284 Q HA 0.289 4.629 4.340 -0.000 0.000 0.271 284 Q C -1.160 174.933 176.000 0.156 0.000 1.046 284 Q CA -0.553 55.364 55.803 0.191 0.000 0.798 284 Q CB 1.617 30.500 28.738 0.242 0.000 1.286 284 Q HN 0.083 nan 8.270 nan 0.000 0.435 285 M N 2.472 122.136 119.600 0.106 0.000 2.249 285 M HA 0.126 4.606 4.480 -0.000 0.000 0.340 285 M C 0.914 177.295 176.300 0.134 0.000 1.166 285 M CA 1.479 56.843 55.300 0.108 0.000 1.115 285 M CB 0.513 33.162 32.600 0.080 0.000 1.606 285 M HN 1.018 nan 8.290 nan 0.000 0.448 286 A N 0.754 123.672 122.820 0.163 0.000 3.383 286 A HA -0.208 4.112 4.320 -0.000 0.000 0.264 286 A C 1.550 179.304 177.584 0.284 0.000 1.154 286 A CA 1.332 53.500 52.037 0.218 0.000 1.179 286 A CB -2.546 16.555 19.000 0.168 0.000 1.133 286 A HN 1.026 nan 8.150 nan 0.000 0.933 287 S N -2.406 113.466 115.700 0.287 0.000 2.481 287 S HA 0.076 4.546 4.470 -0.000 0.000 0.231 287 S C 0.780 175.644 174.600 0.440 0.000 0.996 287 S CA 1.366 59.783 58.200 0.362 0.000 0.942 287 S CB -0.432 63.045 63.200 0.461 0.000 0.768 287 S HN 1.719 nan 8.310 nan 0.000 0.520 288 Y N -0.286 120.150 120.300 0.226 0.000 3.568 288 Y HA -0.213 4.337 4.550 -0.000 0.000 0.220 288 Y C 0.018 176.055 175.900 0.229 0.000 1.319 288 Y CA 0.004 58.217 58.100 0.188 0.000 1.629 288 Y CB -2.456 36.088 38.460 0.141 0.000 1.515 288 Y HN 0.551 nan 8.280 nan 0.000 0.613 289 F N 1.230 121.257 119.950 0.129 0.000 2.571 289 F HA 0.359 4.886 4.527 -0.000 0.000 0.390 289 F C 1.286 177.092 175.800 0.010 0.000 1.043 289 F CA 1.803 59.856 58.000 0.088 0.000 1.164 289 F CB 0.345 39.355 39.000 0.016 0.000 1.049 289 F HN 0.394 nan 8.300 nan 0.000 0.552 290 G N 4.261 112.902 108.800 -0.265 0.000 2.184 290 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.206 290 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.206 290 G C 1.292 176.165 174.900 -0.046 0.000 0.995 290 G CA 0.193 45.184 45.100 -0.182 0.000 0.651 290 G HN 0.809 nan 8.290 nan 0.000 0.511 291 H N 1.445 120.500 119.070 -0.026 0.000 2.390 291 H HA 0.011 4.567 4.556 -0.000 0.000 0.298 291 H C 1.194 176.590 175.328 0.113 0.000 1.106 291 H CA 2.407 58.514 56.048 0.098 0.000 1.297 291 H CB 0.126 30.008 29.762 0.199 0.000 1.375 291 H HN 0.808 nan 8.280 nan 0.000 0.509 292 S N -0.059 115.703 115.700 0.104 0.000 2.546 292 S HA 0.551 5.021 4.470 -0.000 0.000 0.274 292 S C -0.693 173.879 174.600 -0.047 0.000 1.121 292 S CA -0.393 57.817 58.200 0.016 0.000 0.887 292 S CB 2.545 65.787 63.200 0.071 0.000 1.094 292 S HN 0.250 nan 8.310 nan 0.000 0.474 293 V N -1.387 118.491 119.914 -0.061 0.000 2.841 293 V HA 1.044 5.164 4.120 -0.000 0.000 0.310 293 V C -0.328 175.741 176.094 -0.041 0.000 1.090 293 V CA -0.783 61.476 62.300 -0.069 0.000 0.930 293 V CB 0.933 32.700 31.823 -0.094 0.000 1.014 293 V HN 1.651 nan 8.190 nan 0.000 0.425 294 A N 3.029 125.838 122.820 -0.018 0.000 2.449 294 A HA 0.927 5.247 4.320 -0.000 0.000 0.302 294 A C -1.151 176.449 177.584 0.026 0.000 1.048 294 A CA -0.722 51.313 52.037 -0.004 0.000 0.708 294 A CB 2.248 21.245 19.000 -0.006 0.000 1.274 294 A HN 1.471 nan 8.150 nan 0.000 0.410 295 V N 1.368 121.283 119.914 0.002 0.000 2.483 295 V HA 0.835 4.955 4.120 -0.000 0.000 0.297 295 V C -0.104 175.920 176.094 -0.117 0.000 1.027 295 V CA -0.087 62.200 62.300 -0.021 0.000 0.855 295 V CB 1.433 33.220 31.823 -0.061 0.000 0.995 295 V HN 1.135 nan 8.190 nan 0.000 0.424 296 T N 2.410 116.942 114.554 -0.036 0.000 2.977 296 T HA 0.267 4.617 4.350 -0.000 0.000 0.345 296 T C -1.900 172.881 174.700 0.134 0.000 1.562 296 T CA -0.567 61.553 62.100 0.033 0.000 1.090 296 T CB 1.726 70.622 68.868 0.046 0.000 1.383 296 T HN 0.776 nan 8.240 nan 0.000 0.484 297 D N 2.610 123.126 120.400 0.194 0.000 2.352 297 D HA 0.299 4.939 4.640 -0.000 0.000 0.245 297 D C 1.517 177.896 176.300 0.133 0.000 1.224 297 D CA -0.154 53.938 54.000 0.153 0.000 0.879 297 D CB 0.836 41.702 40.800 0.110 0.000 1.057 297 D HN 0.388 nan 8.370 nan 0.000 0.491 298 V N 1.897 121.891 119.914 0.133 0.000 3.354 298 V HA 0.103 4.223 4.120 -0.000 0.000 0.258 298 V C 1.120 177.327 176.094 0.189 0.000 1.159 298 V CA 0.651 63.035 62.300 0.140 0.000 1.125 298 V CB -0.488 31.395 31.823 0.100 0.000 0.774 298 V HN 0.599 nan 8.190 nan 0.000 0.464 299 N N 0.729 119.541 118.700 0.188 0.000 2.234 299 N HA 0.221 4.961 4.740 -0.000 0.000 0.227 299 N C 1.328 177.046 175.510 0.347 0.000 1.151 299 N CA 0.464 53.654 53.050 0.233 0.000 0.865 299 N CB 0.539 39.093 38.487 0.112 0.000 1.066 299 N HN 0.781 nan 8.380 nan 0.000 0.515 300 G N 1.987 110.941 108.800 0.257 0.000 2.179 300 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.257 300 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.257 300 G C 0.119 175.045 174.900 0.043 0.000 1.010 300 G CA 0.661 45.808 45.100 0.079 0.000 0.736 300 G HN 0.648 nan 8.290 nan 0.000 0.513 301 D N -1.050 119.386 120.400 0.061 0.000 2.340 301 D HA 0.388 5.028 4.640 -0.000 0.000 0.217 301 D C 1.804 178.098 176.300 -0.010 0.000 1.081 301 D CA 0.421 54.438 54.000 0.029 0.000 0.842 301 D CB -0.459 40.369 40.800 0.045 0.000 0.934 301 D HN 1.440 nan 8.370 nan 0.000 0.511 302 G N 0.505 109.289 108.800 -0.027 0.000 2.184 302 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.264 302 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.264 302 G C 0.187 175.011 174.900 -0.126 0.000 0.975 302 G CA -0.025 45.030 45.100 -0.075 0.000 0.642 302 G HN 0.454 nan 8.290 nan 0.000 0.536 303 R N 0.296 120.747 120.500 -0.082 0.000 2.338 303 R HA 0.417 4.757 4.340 -0.000 0.000 0.317 303 R C -0.126 176.139 176.300 -0.059 0.000 0.968 303 R CA -0.765 55.269 56.100 -0.110 0.000 0.849 303 R CB 0.760 31.039 30.300 -0.035 0.000 1.128 303 R HN 0.538 nan 8.270 nan 0.000 0.448 304 H N 1.736 120.687 119.070 -0.198 0.000 3.034 304 H HA -0.024 4.532 4.556 -0.000 0.000 0.324 304 H C -0.193 175.095 175.328 -0.067 0.000 1.015 304 H CA 0.130 56.037 56.048 -0.235 0.000 1.429 304 H CB 0.673 30.072 29.762 -0.606 0.000 1.429 304 H HN 0.413 nan 8.280 nan 0.000 0.585 305 D N 2.282 122.817 120.400 0.224 0.000 2.326 305 D HA 0.253 4.893 4.640 -0.000 0.000 0.248 305 D C -0.552 175.951 176.300 0.338 0.000 1.001 305 D CA -0.700 53.472 54.000 0.288 0.000 0.961 305 D CB 2.286 43.203 40.800 0.195 0.000 1.183 305 D HN 0.143 nan 8.370 nan 0.000 0.502 306 L N 0.665 122.091 121.223 0.338 0.000 2.341 306 L HA 0.479 4.819 4.340 -0.000 0.000 0.278 306 L C -1.622 175.395 176.870 0.246 0.000 1.005 306 L CA -0.459 54.540 54.840 0.265 0.000 0.818 306 L CB 1.326 43.471 42.059 0.144 0.000 1.259 306 L HN 0.268 nan 8.230 nan 0.000 0.418 307 L N 5.329 126.641 121.223 0.147 0.000 2.346 307 L HA 0.769 5.109 4.340 -0.000 0.000 0.276 307 L C -0.967 175.942 176.870 0.066 0.000 1.006 307 L CA -0.729 54.178 54.840 0.111 0.000 0.817 307 L CB 2.142 44.222 42.059 0.035 0.000 1.272 307 L HN 0.350 nan 8.230 nan 0.000 0.421 308 V N 1.282 121.247 119.914 0.084 0.000 2.588 308 V HA 0.660 4.780 4.120 -0.000 0.000 0.304 308 V C 0.276 176.351 176.094 -0.032 0.000 1.042 308 V CA -0.668 61.580 62.300 -0.087 0.000 0.877 308 V CB 1.835 33.448 31.823 -0.350 0.000 0.996 308 V HN 0.822 nan 8.190 nan 0.000 0.425 309 G N 2.436 111.193 108.800 -0.072 0.000 2.348 309 G HA2 0.626 4.586 3.960 -0.000 0.000 0.312 309 G HA3 0.626 4.586 3.960 -0.000 0.000 0.312 309 G C -0.256 174.693 174.900 0.082 0.000 1.126 309 G CA -0.149 44.963 45.100 0.020 0.000 0.865 309 G HN 1.187 nan 8.290 nan 0.000 0.474 310 A N 4.423 127.381 122.820 0.229 0.000 2.893 310 A HA 0.655 4.975 4.320 -0.000 0.000 0.333 310 A C -1.456 176.316 177.584 0.313 0.000 1.152 310 A CA -1.231 51.017 52.037 0.352 0.000 0.782 310 A CB 1.505 20.865 19.000 0.600 0.000 1.108 310 A HN 0.444 nan 8.150 nan 0.000 0.469 311 P HA -0.074 nan 4.420 nan 0.000 0.226 311 P C 0.692 178.115 177.300 0.205 0.000 1.153 311 P CA 0.881 64.063 63.100 0.138 0.000 0.777 311 P CB 0.240 31.896 31.700 -0.074 0.000 0.794 312 L N -2.189 119.179 121.223 0.242 0.000 2.818 312 L HA 0.239 4.579 4.340 -0.000 0.000 0.243 312 L C 0.732 177.750 176.870 0.248 0.000 1.185 312 L CA -0.896 54.080 54.840 0.228 0.000 0.988 312 L CB -0.625 41.553 42.059 0.197 0.000 1.292 312 L HN -0.120 nan 8.230 nan 0.000 0.519 313 Y N 2.444 122.868 120.300 0.207 0.000 2.721 313 Y HA 0.029 4.579 4.550 -0.000 0.000 0.329 313 Y C 0.440 176.424 175.900 0.140 0.000 1.211 313 Y CA 0.312 58.529 58.100 0.195 0.000 1.512 313 Y CB 0.334 38.926 38.460 0.220 0.000 1.249 313 Y HN 0.069 nan 8.280 nan 0.000 0.549 314 M N 6.803 126.057 119.600 -0.577 0.000 2.113 314 M HA 0.187 4.667 4.480 -0.000 0.000 0.352 314 M C -0.268 175.664 176.300 -0.613 0.000 1.170 314 M CA -0.175 54.876 55.300 -0.416 0.000 1.053 314 M CB 1.072 33.532 32.600 -0.234 0.000 1.601 314 M HN 0.671 nan 8.290 nan 0.000 0.459 315 E N 2.462 122.551 120.200 -0.184 0.000 2.301 315 E HA 0.248 4.598 4.350 -0.000 0.000 0.275 315 E C -0.470 176.119 176.600 -0.018 0.000 1.030 315 E CA -0.444 55.973 56.400 0.029 0.000 0.852 315 E CB 1.113 30.889 29.700 0.127 0.000 1.060 315 E HN 0.703 nan 8.360 nan 0.000 0.401 316 S N 4.439 120.154 115.700 0.025 0.000 2.548 316 S HA 0.407 4.877 4.470 -0.000 0.000 0.277 316 S C -0.010 174.595 174.600 0.009 0.000 1.315 316 S CA -0.604 57.601 58.200 0.008 0.000 1.050 316 S CB 1.308 64.524 63.200 0.027 0.000 0.918 316 S HN 0.522 nan 8.310 nan 0.000 0.497 317 R N 0.749 121.247 120.500 -0.003 0.000 2.987 317 R HA 0.721 5.061 4.340 -0.000 0.000 0.248 317 R C -0.317 175.980 176.300 -0.004 0.000 1.264 317 R CA -1.047 55.050 56.100 -0.004 0.000 1.026 317 R CB 1.263 31.555 30.300 -0.013 0.000 1.286 317 R HN 0.814 nan 8.270 nan 0.000 0.483 318 A N 0.913 123.730 122.820 -0.005 0.000 2.531 318 A HA 0.118 4.438 4.320 -0.000 0.000 0.236 318 A C 0.028 177.610 177.584 -0.004 0.000 1.062 318 A CA 0.841 52.876 52.037 -0.003 0.000 0.760 318 A CB -0.174 18.824 19.000 -0.004 0.000 0.995 318 A HN 0.828 nan 8.150 nan 0.000 0.501 319 D N -0.172 120.227 120.400 -0.002 0.000 2.873 319 D HA -0.148 4.492 4.640 -0.000 0.000 0.228 319 D C 0.179 176.477 176.300 -0.002 0.000 1.122 319 D CA 1.250 55.249 54.000 -0.002 0.000 0.758 319 D CB -0.858 39.940 40.800 -0.002 0.000 1.094 319 D HN 0.754 nan 8.370 nan 0.000 0.434 320 R N -1.633 118.866 120.500 -0.002 0.000 3.416 320 R HA -0.219 4.121 4.340 -0.000 0.000 0.263 320 R C -0.153 176.144 176.300 -0.005 0.000 1.053 320 R CA 1.324 57.423 56.100 -0.002 0.000 0.705 320 R CB -1.952 28.347 30.300 -0.001 0.000 1.124 320 R HN 0.521 nan 8.270 nan 0.000 0.444 321 K N 0.143 120.538 120.400 -0.008 0.000 2.221 321 K HA 0.696 5.016 4.320 -0.000 0.000 0.243 321 K C 0.169 176.757 176.600 -0.020 0.000 0.968 321 K CA -0.827 55.453 56.287 -0.012 0.000 0.846 321 K CB 1.468 33.961 32.500 -0.012 0.000 1.141 321 K HN -0.056 nan 8.250 nan 0.000 0.434 322 L N 1.055 122.261 121.223 -0.028 0.000 2.381 322 L HA 0.651 4.991 4.340 -0.000 0.000 0.268 322 L C -1.019 175.819 176.870 -0.053 0.000 0.997 322 L CA -0.893 53.919 54.840 -0.047 0.000 0.818 322 L CB 2.148 44.175 42.059 -0.054 0.000 1.310 322 L HN 0.697 nan 8.230 nan 0.000 0.416 323 A N 2.024 124.803 122.820 -0.068 0.000 2.357 323 A HA 0.364 4.684 4.320 -0.000 0.000 0.295 323 A C -0.575 176.962 177.584 -0.078 0.000 1.121 323 A CA -0.495 51.490 52.037 -0.087 0.000 0.742 323 A CB 1.058 20.009 19.000 -0.082 0.000 1.181 323 A HN 0.722 nan 8.150 nan 0.000 0.454 324 E N 2.111 122.265 120.200 -0.077 0.000 2.328 324 E HA 0.242 4.592 4.350 -0.000 0.000 0.265 324 E C 0.507 177.116 176.600 0.016 0.000 1.057 324 E CA 0.519 56.924 56.400 0.008 0.000 0.916 324 E CB 0.482 30.259 29.700 0.128 0.000 0.993 324 E HN 0.802 nan 8.360 nan 0.000 0.446 325 V N 1.151 121.124 119.914 0.098 0.000 3.332 325 V HA 0.424 4.544 4.120 -0.000 0.000 0.263 325 V C 0.571 176.805 176.094 0.233 0.000 1.562 325 V CA 0.382 62.757 62.300 0.125 0.000 1.040 325 V CB -0.039 31.824 31.823 0.066 0.000 0.857 325 V HN 0.825 nan 8.190 nan 0.000 0.428 326 G N 0.910 109.892 108.800 0.303 0.000 2.705 326 G HA2 0.033 3.993 3.960 -0.000 0.000 0.686 326 G HA3 0.033 3.993 3.960 -0.000 0.000 0.686 326 G C -0.685 174.448 174.900 0.388 0.000 1.285 326 G CA -0.062 45.260 45.100 0.370 0.000 0.800 326 G HN 0.969 nan 8.290 nan 0.000 0.611 327 R N -0.409 120.280 120.500 0.316 0.000 2.668 327 R HA 0.711 5.051 4.340 -0.000 0.000 0.272 327 R C -1.216 175.090 176.300 0.010 0.000 1.019 327 R CA -0.836 55.308 56.100 0.074 0.000 0.894 327 R CB 2.145 32.201 30.300 -0.407 0.000 1.228 327 R HN 0.843 nan 8.270 nan 0.000 0.460 328 V N 3.663 123.520 119.914 -0.095 0.000 2.555 328 V HA 0.508 4.628 4.120 -0.000 0.000 0.302 328 V C -1.336 174.561 176.094 -0.329 0.000 1.038 328 V CA -0.634 61.586 62.300 -0.133 0.000 0.887 328 V CB 1.709 33.446 31.823 -0.143 0.000 0.991 328 V HN 0.632 nan 8.190 nan 0.000 0.434 329 Y N 4.314 124.561 120.300 -0.089 0.000 2.364 329 Y HA 0.677 5.227 4.550 -0.000 0.000 0.340 329 Y C -0.252 175.502 175.900 -0.242 0.000 0.975 329 Y CA -0.797 57.192 58.100 -0.185 0.000 1.089 329 Y CB 1.820 40.252 38.460 -0.045 0.000 1.192 329 Y HN 0.522 nan 8.280 nan 0.000 0.454 330 L N 4.580 125.658 121.223 -0.243 0.000 2.296 330 L HA 0.666 5.006 4.340 -0.000 0.000 0.286 330 L C -1.845 174.822 176.870 -0.339 0.000 1.023 330 L CA -0.600 54.142 54.840 -0.163 0.000 0.812 330 L CB 0.258 42.252 42.059 -0.109 0.000 1.223 330 L HN 0.408 nan 8.230 nan 0.000 0.421 331 F N 5.752 125.747 119.950 0.075 0.000 2.460 331 F HA 0.491 5.018 4.527 -0.000 0.000 0.341 331 F C -0.371 175.478 175.800 0.081 0.000 1.130 331 F CA -0.588 57.452 58.000 0.066 0.000 0.962 331 F CB 1.298 40.323 39.000 0.041 0.000 1.171 331 F HN 0.226 nan 8.300 nan 0.000 0.436 332 L N 3.234 124.580 121.223 0.205 0.000 2.305 332 L HA 0.336 4.676 4.340 -0.000 0.000 0.281 332 L C 0.270 177.249 176.870 0.182 0.000 1.085 332 L CA -0.592 54.348 54.840 0.168 0.000 0.813 332 L CB 1.284 43.407 42.059 0.106 0.000 1.157 332 L HN 0.618 nan 8.230 nan 0.000 0.436 333 Q N 5.853 125.769 119.800 0.193 0.000 2.293 333 Q HA 0.218 4.558 4.340 -0.000 0.000 0.263 333 Q C -2.189 173.890 176.000 0.132 0.000 1.002 333 Q CA -1.577 54.339 55.803 0.187 0.000 0.910 333 Q CB 1.028 29.893 28.738 0.212 0.000 1.185 333 Q HN 0.289 nan 8.270 nan 0.000 0.401 334 P HA 0.047 nan 4.420 nan 0.000 0.274 334 P C -0.954 176.401 177.300 0.092 0.000 1.246 334 P CA -0.224 62.952 63.100 0.127 0.000 0.795 334 P CB 0.659 32.467 31.700 0.179 0.000 1.006 335 R N 0.293 120.840 120.500 0.079 0.000 2.491 335 R HA 0.415 4.755 4.340 -0.000 0.000 0.283 335 R C 0.754 177.002 176.300 -0.087 0.000 1.072 335 R CA 1.208 57.319 56.100 0.019 0.000 1.048 335 R CB -0.617 29.705 30.300 0.036 0.000 0.983 335 R HN 0.875 nan 8.270 nan 0.000 0.450 336 G N 4.458 113.178 108.800 -0.133 0.000 2.741 336 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.222 336 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.222 336 G C -2.350 172.345 174.900 -0.342 0.000 1.364 336 G CA -0.450 44.489 45.100 -0.268 0.000 0.866 336 G HN 0.607 nan 8.290 nan 0.000 0.555 337 P HA 0.308 nan 4.420 nan 0.000 0.231 337 P C -0.618 176.663 177.300 -0.032 0.000 1.811 337 P CA 0.308 63.322 63.100 -0.143 0.000 1.051 337 P CB -0.167 31.499 31.700 -0.058 0.000 1.951 338 H N 0.470 119.611 119.070 0.118 0.000 2.834 338 H HA 0.582 5.138 4.556 -0.000 0.000 0.369 338 H C 0.095 175.529 175.328 0.176 0.000 1.174 338 H CA -1.217 54.902 56.048 0.118 0.000 1.165 338 H CB 1.590 31.402 29.762 0.083 0.000 1.820 338 H HN 0.218 nan 8.280 nan 0.000 0.558 339 A N 1.614 124.605 122.820 0.285 0.000 2.425 339 A HA 0.273 4.593 4.320 -0.000 0.000 0.249 339 A C -0.141 177.456 177.584 0.022 0.000 1.084 339 A CA -0.432 51.718 52.037 0.189 0.000 0.781 339 A CB -0.144 18.939 19.000 0.138 0.000 1.019 339 A HN 0.398 nan 8.150 nan 0.000 0.490 340 L N 2.366 123.431 121.223 -0.262 0.000 2.490 340 L HA 0.315 4.655 4.340 -0.000 0.000 0.274 340 L C 1.300 178.163 176.870 -0.013 0.000 1.201 340 L CA 1.351 56.094 54.840 -0.160 0.000 0.869 340 L CB 0.126 41.977 42.059 -0.346 0.000 1.123 340 L HN 0.884 nan 8.230 nan 0.000 0.484 341 G N 1.701 110.564 108.800 0.105 0.000 2.574 341 G HA2 0.606 4.566 3.960 -0.000 0.000 0.248 341 G HA3 0.606 4.566 3.960 -0.000 0.000 0.248 341 G C -0.344 174.681 174.900 0.207 0.000 1.422 341 G CA -0.154 45.018 45.100 0.120 0.000 1.051 341 G HN 0.918 nan 8.290 nan 0.000 0.560 342 A N -0.030 122.882 122.820 0.153 0.000 2.475 342 A HA 0.501 4.821 4.320 -0.000 0.000 0.239 342 A C -1.949 175.711 177.584 0.126 0.000 1.087 342 A CA -0.433 51.699 52.037 0.159 0.000 0.779 342 A CB -0.609 18.439 19.000 0.079 0.000 1.036 342 A HN 0.423 nan 8.150 nan 0.000 0.506 343 P HA 0.127 nan 4.420 nan 0.000 0.267 343 P C 0.423 177.617 177.300 -0.177 0.000 1.200 343 P CA 0.153 63.006 63.100 -0.412 0.000 0.772 343 P CB 0.646 32.105 31.700 -0.401 0.000 0.855 344 S N 0.814 116.408 115.700 -0.177 0.000 2.425 344 S HA 0.087 4.557 4.470 -0.000 0.000 0.225 344 S C 0.493 175.029 174.600 -0.105 0.000 1.024 344 S CA 0.536 58.684 58.200 -0.088 0.000 0.951 344 S CB -0.219 62.955 63.200 -0.044 0.000 0.796 344 S HN 0.381 nan 8.310 nan 0.000 0.498 345 L N 0.921 122.048 121.223 -0.160 0.000 2.482 345 L HA 0.511 4.851 4.340 -0.000 0.000 0.263 345 L C -2.010 174.727 176.870 -0.222 0.000 0.957 345 L CA -0.494 54.251 54.840 -0.158 0.000 0.836 345 L CB 1.498 43.474 42.059 -0.139 0.000 1.324 345 L HN 0.019 nan 8.230 nan 0.000 0.406 346 L N 5.727 126.816 121.223 -0.224 0.000 2.287 346 L HA 0.552 4.892 4.340 -0.000 0.000 0.287 346 L C -0.881 175.825 176.870 -0.273 0.000 1.022 346 L CA -0.552 54.094 54.840 -0.324 0.000 0.814 346 L CB 1.408 43.275 42.059 -0.320 0.000 1.217 346 L HN 0.490 nan 8.230 nan 0.000 0.420 347 L N 3.314 124.367 121.223 -0.283 0.000 2.296 347 L HA 0.593 4.933 4.340 -0.000 0.000 0.286 347 L C -0.227 176.556 176.870 -0.145 0.000 1.023 347 L CA -0.248 54.472 54.840 -0.201 0.000 0.812 347 L CB 1.855 43.778 42.059 -0.227 0.000 1.223 347 L HN 0.561 nan 8.230 nan 0.000 0.421 348 T N 1.299 115.691 114.554 -0.271 0.000 2.861 348 T HA 0.465 4.815 4.350 -0.000 0.000 0.287 348 T C 0.387 174.768 174.700 -0.532 0.000 1.003 348 T CA -0.582 61.353 62.100 -0.275 0.000 0.977 348 T CB 1.881 70.657 68.868 -0.153 0.000 0.996 348 T HN 0.718 nan 8.240 nan 0.000 0.448 349 G N 1.115 109.633 108.800 -0.469 0.000 2.636 349 G HA2 0.373 4.333 3.960 -0.000 0.000 0.246 349 G HA3 0.373 4.333 3.960 -0.000 0.000 0.246 349 G C 0.573 175.352 174.900 -0.202 0.000 1.216 349 G CA -0.230 44.597 45.100 -0.455 0.000 0.854 349 G HN 0.694 nan 8.290 nan 0.000 0.572 350 T N -0.514 113.959 114.554 -0.136 0.000 3.056 350 T HA 0.088 4.438 4.350 -0.000 0.000 0.243 350 T C 0.959 175.642 174.700 -0.027 0.000 0.995 350 T CA 0.292 62.350 62.100 -0.070 0.000 1.091 350 T CB 0.078 68.909 68.868 -0.062 0.000 0.990 350 T HN 0.423 nan 8.240 nan 0.000 0.464 351 Q N 2.072 121.877 119.800 0.009 0.000 2.288 351 Q HA 0.419 4.759 4.340 -0.000 0.000 0.258 351 Q C -0.777 175.231 176.000 0.013 0.000 0.957 351 Q CA -0.461 55.359 55.803 0.028 0.000 0.919 351 Q CB 0.582 29.368 28.738 0.081 0.000 1.185 351 Q HN 0.236 nan 8.270 nan 0.000 0.408 352 L N 5.660 126.840 121.223 -0.071 0.000 2.499 352 L HA 0.011 4.351 4.340 -0.000 0.000 0.273 352 L C -0.662 176.112 176.870 -0.161 0.000 1.195 352 L CA 0.940 55.627 54.840 -0.255 0.000 0.882 352 L CB -0.309 41.495 42.059 -0.425 0.000 1.133 352 L HN 0.826 nan 8.230 nan 0.000 0.483 353 Y N 1.516 121.867 120.300 0.085 0.000 4.668 353 Y HA -0.243 4.307 4.550 -0.000 0.000 0.234 353 Y C 1.700 177.700 175.900 0.167 0.000 1.056 353 Y CA 0.888 59.042 58.100 0.091 0.000 2.025 353 Y CB -2.323 36.159 38.460 0.036 0.000 1.613 353 Y HN 0.681 nan 8.280 nan 0.000 0.653 354 G N 0.003 108.976 108.800 0.288 0.000 2.484 354 G HA2 -0.087 3.873 3.960 -0.000 0.000 0.218 354 G HA3 -0.087 3.873 3.960 -0.000 0.000 0.218 354 G C 0.971 176.081 174.900 0.351 0.000 1.130 354 G CA 0.495 45.787 45.100 0.320 0.000 0.784 354 G HN 0.486 nan 8.290 nan 0.000 0.543 355 R N -1.663 119.028 120.500 0.318 0.000 3.531 355 R HA -0.191 4.149 4.340 -0.000 0.000 0.280 355 R C -0.144 176.295 176.300 0.233 0.000 1.130 355 R CA 0.252 56.511 56.100 0.265 0.000 0.757 355 R CB -2.499 27.971 30.300 0.283 0.000 1.218 355 R HN 0.381 nan 8.270 nan 0.000 0.454 356 F N 1.160 121.186 119.950 0.126 0.000 2.612 356 F HA 0.174 4.701 4.527 -0.000 0.000 0.389 356 F C 1.549 177.394 175.800 0.075 0.000 1.055 356 F CA 2.008 60.068 58.000 0.099 0.000 1.232 356 F CB 0.542 39.601 39.000 0.097 0.000 1.044 356 F HN 0.394 nan 8.300 nan 0.000 0.560 357 G N 3.146 111.666 108.800 -0.466 0.000 2.159 357 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.227 357 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.227 357 G C 1.038 175.868 174.900 -0.117 0.000 0.986 357 G CA 0.480 45.396 45.100 -0.306 0.000 0.651 357 G HN 1.012 nan 8.290 nan 0.000 0.523 358 S N -0.571 115.063 115.700 -0.109 0.000 2.428 358 S HA 0.585 5.055 4.470 -0.000 0.000 0.230 358 S C 1.148 175.748 174.600 -0.000 0.000 1.014 358 S CA 1.827 59.969 58.200 -0.095 0.000 0.957 358 S CB -0.065 63.093 63.200 -0.070 0.000 0.784 358 S HN 2.021 nan 8.310 nan 0.000 0.499 359 A N 0.209 122.975 122.820 -0.089 0.000 2.520 359 A HA 0.736 5.056 4.320 -0.000 0.000 0.298 359 A C -1.345 176.168 177.584 -0.120 0.000 1.051 359 A CA -0.705 51.268 52.037 -0.107 0.000 0.690 359 A CB 1.131 20.033 19.000 -0.162 0.000 1.281 359 A HN 0.377 nan 8.150 nan 0.000 0.402 360 I N 1.528 122.043 120.570 -0.092 0.000 2.500 360 I HA 0.564 4.734 4.170 -0.000 0.000 0.286 360 I C 0.156 176.246 176.117 -0.045 0.000 1.063 360 I CA -0.439 60.814 61.300 -0.078 0.000 1.062 360 I CB 2.056 40.012 38.000 -0.073 0.000 1.223 360 I HN 0.761 nan 8.210 nan 0.000 0.435 361 A N 7.787 130.592 122.820 -0.025 0.000 2.287 361 A HA 0.819 5.139 4.320 -0.000 0.000 0.317 361 A C -2.689 174.910 177.584 0.026 0.000 1.220 361 A CA -1.715 50.324 52.037 0.002 0.000 0.835 361 A CB 0.567 19.573 19.000 0.010 0.000 1.180 361 A HN 0.327 nan 8.150 nan 0.000 0.500 362 P HA 0.135 nan 4.420 nan 0.000 0.265 362 P C 0.257 177.588 177.300 0.052 0.000 1.193 362 P CA 0.187 63.312 63.100 0.042 0.000 0.765 362 P CB 0.551 32.270 31.700 0.032 0.000 0.823 363 L N 1.777 123.033 121.223 0.055 0.000 2.693 363 L HA 0.260 4.600 4.340 -0.000 0.000 0.235 363 L C 1.408 178.299 176.870 0.036 0.000 1.127 363 L CA 0.294 55.166 54.840 0.053 0.000 0.914 363 L CB -0.554 41.540 42.059 0.059 0.000 1.193 363 L HN 0.685 nan 8.230 nan 0.000 0.502 364 G N 1.024 109.844 108.800 0.034 0.000 2.601 364 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.261 364 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.261 364 G C -0.371 174.552 174.900 0.038 0.000 1.289 364 G CA -0.012 45.101 45.100 0.022 0.000 0.920 364 G HN 0.278 nan 8.290 nan 0.000 0.571 365 D N 0.348 120.762 120.400 0.023 0.000 2.441 365 D HA 0.433 5.073 4.640 -0.000 0.000 0.221 365 D C 1.425 177.756 176.300 0.051 0.000 1.156 365 D CA -0.421 53.603 54.000 0.040 0.000 0.896 365 D CB 0.879 41.686 40.800 0.011 0.000 1.028 365 D HN 0.427 nan 8.370 nan 0.000 0.509 366 L N 3.778 125.048 121.223 0.078 0.000 2.005 366 L HA -0.059 4.281 4.340 -0.000 0.000 0.207 366 L C 1.553 178.519 176.870 0.160 0.000 1.072 366 L CA 1.804 56.708 54.840 0.107 0.000 0.744 366 L CB -0.174 41.937 42.059 0.085 0.000 0.895 366 L HN 0.437 nan 8.230 nan 0.000 0.433 367 D N -1.500 118.977 120.400 0.130 0.000 2.339 367 D HA -0.084 4.556 4.640 -0.000 0.000 0.217 367 D C -0.042 176.340 176.300 0.137 0.000 1.050 367 D CA -0.075 54.013 54.000 0.147 0.000 0.856 367 D CB -0.033 40.829 40.800 0.103 0.000 0.922 367 D HN 0.237 nan 8.370 nan 0.000 0.518 368 R N 1.138 121.689 120.500 0.086 0.000 3.332 368 R HA -0.136 4.204 4.340 -0.000 0.000 0.263 368 R C -0.185 176.130 176.300 0.025 0.000 1.053 368 R CA 1.017 57.126 56.100 0.015 0.000 0.705 368 R CB -3.150 27.127 30.300 -0.039 0.000 1.166 368 R HN 0.558 nan 8.270 nan 0.000 0.427 369 D N -1.326 119.105 120.400 0.052 0.000 2.431 369 D HA 0.203 4.843 4.640 -0.000 0.000 0.213 369 D C 1.145 177.448 176.300 0.005 0.000 1.130 369 D CA 0.469 54.511 54.000 0.069 0.000 0.834 369 D CB 0.233 41.121 40.800 0.147 0.000 0.985 369 D HN 0.456 nan 8.370 nan 0.000 0.504 370 G N -0.209 108.543 108.800 -0.080 0.000 2.157 370 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.239 370 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.239 370 G C -0.460 174.152 174.900 -0.481 0.000 0.982 370 G CA 0.103 45.037 45.100 -0.277 0.000 0.650 370 G HN 0.381 nan 8.290 nan 0.000 0.527 371 Y N 0.562 120.871 120.300 0.016 0.000 2.391 371 Y HA 0.564 5.114 4.550 -0.000 0.000 0.341 371 Y C 0.348 176.266 175.900 0.030 0.000 0.965 371 Y CA -1.305 56.810 58.100 0.024 0.000 1.067 371 Y CB 1.310 39.788 38.460 0.031 0.000 1.199 371 Y HN 0.014 nan 8.280 nan 0.000 0.450 372 N N 2.955 121.760 118.700 0.175 0.000 2.482 372 N HA 0.159 4.899 4.740 -0.000 0.000 0.260 372 N C -0.966 174.623 175.510 0.132 0.000 1.236 372 N CA 0.080 53.203 53.050 0.121 0.000 0.938 372 N CB 0.712 39.255 38.487 0.094 0.000 1.128 372 N HN 0.631 nan 8.380 nan 0.000 0.448 373 D N 0.265 120.729 120.400 0.107 0.000 2.493 373 D HA 0.548 5.188 4.640 -0.000 0.000 0.239 373 D C 0.203 176.564 176.300 0.101 0.000 1.049 373 D CA -0.365 53.702 54.000 0.111 0.000 1.008 373 D CB 2.048 42.910 40.800 0.103 0.000 1.398 373 D HN 0.466 nan 8.370 nan 0.000 0.513 374 I N -3.071 117.575 120.570 0.126 0.000 2.934 374 I HA 0.839 5.009 4.170 -0.000 0.000 0.306 374 I C -1.377 174.825 176.117 0.141 0.000 1.110 374 I CA -1.151 60.218 61.300 0.114 0.000 1.019 374 I CB 2.349 40.406 38.000 0.094 0.000 1.227 374 I HN 0.343 nan 8.210 nan 0.000 0.434 375 A N 4.043 126.918 122.820 0.090 0.000 2.331 375 A HA 0.783 5.103 4.320 -0.000 0.000 0.320 375 A C -0.927 176.682 177.584 0.041 0.000 1.138 375 A CA -0.612 51.468 52.037 0.072 0.000 0.790 375 A CB 1.500 20.505 19.000 0.008 0.000 1.206 375 A HN 0.553 nan 8.150 nan 0.000 0.470 376 V N 1.977 121.933 119.914 0.069 0.000 2.417 376 V HA 0.649 4.769 4.120 -0.000 0.000 0.291 376 V C 0.613 176.643 176.094 -0.107 0.000 1.024 376 V CA -0.414 61.823 62.300 -0.105 0.000 0.861 376 V CB 1.444 33.099 31.823 -0.281 0.000 0.985 376 V HN 1.155 nan 8.190 nan 0.000 0.436 377 A N 3.813 126.540 122.820 -0.154 0.000 2.331 377 A HA 0.808 5.128 4.320 -0.000 0.000 0.283 377 A C 0.334 177.887 177.584 -0.051 0.000 1.142 377 A CA -0.101 51.884 52.037 -0.087 0.000 0.812 377 A CB 0.832 19.767 19.000 -0.109 0.000 1.074 377 A HN 1.381 nan 8.150 nan 0.000 0.497 378 A N 4.467 127.345 122.820 0.097 0.000 2.664 378 A HA 0.649 4.969 4.320 -0.000 0.000 0.338 378 A C -2.078 175.591 177.584 0.141 0.000 1.280 378 A CA -1.377 50.772 52.037 0.186 0.000 0.809 378 A CB 0.432 19.633 19.000 0.336 0.000 1.114 378 A HN 0.488 nan 8.150 nan 0.000 0.479 379 P HA -0.126 nan 4.420 nan 0.000 0.221 379 P C 0.012 177.047 177.300 -0.442 0.000 1.145 379 P CA 1.599 64.587 63.100 -0.186 0.000 0.795 379 P CB -0.018 31.504 31.700 -0.296 0.000 0.775 380 Y N -2.224 118.194 120.300 0.197 0.000 2.682 380 Y HA 0.430 4.980 4.550 -0.000 0.000 0.251 380 Y C 1.653 177.655 175.900 0.170 0.000 1.172 380 Y CA -0.612 57.591 58.100 0.173 0.000 1.186 380 Y CB -0.178 38.379 38.460 0.162 0.000 1.216 380 Y HN -0.166 nan 8.280 nan 0.000 0.540 381 G N -0.145 108.808 108.800 0.254 0.000 2.510 381 G HA2 0.506 4.466 3.960 -0.000 0.000 0.280 381 G HA3 0.506 4.466 3.960 -0.000 0.000 0.280 381 G C 0.306 175.306 174.900 0.168 0.000 1.386 381 G CA 0.054 45.283 45.100 0.216 0.000 1.047 381 G HN 0.539 nan 8.290 nan 0.000 0.527 382 G N -1.561 107.319 108.800 0.134 0.000 2.733 382 G HA2 -0.037 3.923 3.960 -0.000 0.000 0.686 382 G HA3 -0.037 3.923 3.960 -0.000 0.000 0.686 382 G C -1.227 173.720 174.900 0.078 0.000 1.373 382 G CA 0.040 45.198 45.100 0.095 0.000 0.838 382 G HN 0.594 nan 8.290 nan 0.000 0.588 383 P HA -0.070 nan 4.420 nan 0.000 0.222 383 P C 1.621 178.950 177.300 0.049 0.000 1.147 383 P CA 2.051 65.177 63.100 0.043 0.000 0.790 383 P CB -0.019 31.697 31.700 0.027 0.000 0.780 384 S N -2.209 113.523 115.700 0.053 0.000 2.535 384 S HA 0.342 4.812 4.470 -0.000 0.000 0.214 384 S C 1.648 176.298 174.600 0.083 0.000 0.980 384 S CA 0.483 58.716 58.200 0.055 0.000 0.907 384 S CB -0.968 62.254 63.200 0.037 0.000 0.790 384 S HN 0.275 nan 8.310 nan 0.000 0.510 385 G N 1.955 110.821 108.800 0.110 0.000 2.148 385 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.254 385 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.254 385 G C 0.828 175.840 174.900 0.187 0.000 0.981 385 G CA 0.369 45.568 45.100 0.165 0.000 0.670 385 G HN 0.541 nan 8.290 nan 0.000 0.528 386 R N 0.275 120.852 120.500 0.129 0.000 2.300 386 R HA 0.427 4.767 4.340 -0.000 0.000 0.199 386 R C 1.286 177.653 176.300 0.112 0.000 0.920 386 R CA 0.741 56.906 56.100 0.109 0.000 1.046 386 R CB 0.322 30.653 30.300 0.051 0.000 0.984 386 R HN 1.464 nan 8.270 nan 0.000 0.493 387 G N 1.001 109.885 108.800 0.141 0.000 2.742 387 G HA2 -0.137 3.823 3.960 -0.000 0.000 0.686 387 G HA3 -0.137 3.823 3.960 -0.000 0.000 0.686 387 G C -1.256 173.816 174.900 0.287 0.000 1.220 387 G CA -0.914 44.319 45.100 0.221 0.000 0.783 387 G HN 0.097 nan 8.290 nan 0.000 0.646 388 Q N -0.712 119.287 119.800 0.332 0.000 2.379 388 Q HA 0.667 5.007 4.340 -0.000 0.000 0.278 388 Q C -0.842 175.333 176.000 0.291 0.000 1.068 388 Q CA -1.022 54.967 55.803 0.310 0.000 0.816 388 Q CB 3.258 32.117 28.738 0.202 0.000 1.387 388 Q HN 0.688 nan 8.270 nan 0.000 0.413 389 V N 2.982 123.050 119.914 0.256 0.000 2.495 389 V HA 0.507 4.627 4.120 -0.000 0.000 0.298 389 V C -0.993 175.139 176.094 0.064 0.000 1.031 389 V CA -0.712 61.645 62.300 0.094 0.000 0.871 389 V CB 1.503 33.307 31.823 -0.032 0.000 0.988 389 V HN 0.544 nan 8.190 nan 0.000 0.432 390 L N 5.214 126.488 121.223 0.085 0.000 2.341 390 L HA 0.630 4.970 4.340 -0.000 0.000 0.278 390 L C -0.237 176.584 176.870 -0.081 0.000 1.005 390 L CA -0.357 54.482 54.840 -0.002 0.000 0.818 390 L CB 1.914 44.056 42.059 0.139 0.000 1.259 390 L HN 0.362 nan 8.230 nan 0.000 0.418 391 V N 3.292 123.065 119.914 -0.235 0.000 2.439 391 V HA 0.472 4.592 4.120 -0.000 0.000 0.282 391 V C -0.577 175.297 176.094 -0.366 0.000 1.039 391 V CA -0.344 61.863 62.300 -0.155 0.000 0.913 391 V CB 1.107 32.873 31.823 -0.095 0.000 0.983 391 V HN 0.401 nan 8.190 nan 0.000 0.460 392 F N 4.431 124.402 119.950 0.035 0.000 2.507 392 F HA 0.604 5.131 4.527 -0.000 0.000 0.325 392 F C -0.002 175.815 175.800 0.028 0.000 1.116 392 F CA -0.667 57.353 58.000 0.034 0.000 0.930 392 F CB 1.560 40.586 39.000 0.042 0.000 1.146 392 F HN 0.194 nan 8.300 nan 0.000 0.447 393 L N 2.795 124.119 121.223 0.167 0.000 2.334 393 L HA 0.595 4.935 4.340 -0.000 0.000 0.277 393 L C 0.852 177.778 176.870 0.092 0.000 1.075 393 L CA -0.754 54.153 54.840 0.112 0.000 0.804 393 L CB 0.925 43.026 42.059 0.070 0.000 1.174 393 L HN 0.778 nan 8.230 nan 0.000 0.438 394 G N 1.808 110.664 108.800 0.092 0.000 2.569 394 G HA2 0.477 4.437 3.960 -0.000 0.000 0.249 394 G HA3 0.477 4.437 3.960 -0.000 0.000 0.249 394 G C -0.647 174.163 174.900 -0.150 0.000 1.216 394 G CA -0.134 44.994 45.100 0.047 0.000 0.845 394 G HN 0.746 nan 8.290 nan 0.000 0.568 395 Q N -1.936 117.640 119.800 -0.373 0.000 2.737 395 Q HA 0.458 4.798 4.340 -0.000 0.000 0.307 395 Q C 0.786 176.355 176.000 -0.717 0.000 0.905 395 Q CA -0.198 55.091 55.803 -0.857 0.000 0.753 395 Q CB 0.699 29.191 28.738 -0.410 0.000 1.463 395 Q HN 0.534 nan 8.270 nan 0.000 0.455 396 S N -0.520 114.795 115.700 -0.640 0.000 2.419 396 S HA -0.135 4.334 4.470 -0.000 0.000 0.233 396 S C 0.781 175.348 174.600 -0.056 0.000 1.016 396 S CA 1.398 59.504 58.200 -0.157 0.000 0.974 396 S CB -0.257 62.940 63.200 -0.006 0.000 0.786 396 S HN 0.581 nan 8.310 nan 0.000 0.492 397 E N 1.010 121.155 120.200 -0.091 0.000 2.474 397 E HA 0.388 4.738 4.350 -0.000 0.000 0.195 397 E C 1.274 177.855 176.600 -0.032 0.000 1.039 397 E CA 0.584 56.961 56.400 -0.039 0.000 0.881 397 E CB 0.579 30.256 29.700 -0.039 0.000 0.970 397 E HN 0.640 nan 8.360 nan 0.000 0.486 398 G N 0.509 109.281 108.800 -0.047 0.000 1.812 398 G HA2 -0.052 3.908 3.960 -0.000 0.000 0.053 398 G HA3 -0.052 3.908 3.960 -0.000 0.000 0.053 398 G C -0.953 173.930 174.900 -0.029 0.000 0.844 398 G CA -0.596 44.492 45.100 -0.020 0.000 1.151 398 G HN 0.076 nan 8.290 nan 0.000 0.362 399 L N 1.032 122.239 121.223 -0.027 0.000 2.333 399 L HA 0.682 5.022 4.340 -0.000 0.000 0.263 399 L C 0.321 177.198 176.870 0.012 0.000 1.014 399 L CA -1.284 53.556 54.840 0.001 0.000 0.820 399 L CB 1.957 44.016 42.059 -0.001 0.000 1.352 399 L HN 0.358 nan 8.230 nan 0.000 0.421 400 R N 0.406 120.946 120.500 0.067 0.000 2.643 400 R HA 0.083 4.423 4.340 -0.000 0.000 0.270 400 R C 0.963 177.362 176.300 0.164 0.000 1.061 400 R CA 0.126 56.281 56.100 0.091 0.000 1.107 400 R CB 0.763 31.123 30.300 0.101 0.000 0.999 400 R HN 0.801 nan 8.270 nan 0.000 0.460 401 S N 1.811 117.577 115.700 0.110 0.000 2.527 401 S HA 0.051 4.521 4.470 -0.000 0.000 0.222 401 S C 0.585 175.322 174.600 0.228 0.000 0.985 401 S CA 0.174 58.438 58.200 0.107 0.000 0.921 401 S CB 0.337 63.555 63.200 0.031 0.000 0.772 401 S HN 0.443 nan 8.310 nan 0.000 0.529 402 R N 1.976 122.608 120.500 0.221 0.000 2.599 402 R HA 0.491 4.831 4.340 -0.000 0.000 0.295 402 R C -3.038 173.259 176.300 -0.005 0.000 0.963 402 R CA -2.390 53.796 56.100 0.143 0.000 0.883 402 R CB 1.333 31.659 30.300 0.044 0.000 1.171 402 R HN 0.184 nan 8.270 nan 0.000 0.450 403 P HA -0.034 nan 4.420 nan 0.000 0.268 403 P C 0.330 177.454 177.300 -0.294 0.000 1.205 403 P CA 0.019 62.708 63.100 -0.685 0.000 0.771 403 P CB 1.080 32.351 31.700 -0.714 0.000 0.858 404 S N 1.097 116.651 115.700 -0.244 0.000 2.470 404 S HA -0.028 4.442 4.470 -0.000 0.000 0.225 404 S C 0.675 175.210 174.600 -0.108 0.000 1.006 404 S CA 0.290 58.419 58.200 -0.118 0.000 0.934 404 S CB -0.162 62.999 63.200 -0.066 0.000 0.778 404 S HN 0.686 nan 8.310 nan 0.000 0.517 405 Q N -0.439 119.271 119.800 -0.150 0.000 2.479 405 Q HA 0.566 4.906 4.340 -0.000 0.000 0.276 405 Q C -2.451 173.477 176.000 -0.120 0.000 0.989 405 Q CA -0.666 55.074 55.803 -0.105 0.000 0.864 405 Q CB 2.222 30.913 28.738 -0.077 0.000 1.444 405 Q HN 0.160 nan 8.270 nan 0.000 0.388 406 V N 3.811 123.682 119.914 -0.072 0.000 2.577 406 V HA 0.478 4.598 4.120 -0.000 0.000 0.303 406 V C -0.763 175.322 176.094 -0.014 0.000 1.042 406 V CA -0.654 61.621 62.300 -0.041 0.000 0.872 406 V CB 1.704 33.514 31.823 -0.022 0.000 0.998 406 V HN 0.680 nan 8.190 nan 0.000 0.423 407 L N 4.204 125.428 121.223 0.003 0.000 2.276 407 L HA 0.546 4.886 4.340 -0.000 0.000 0.286 407 L C -0.342 176.597 176.870 0.114 0.000 1.024 407 L CA -0.471 54.386 54.840 0.029 0.000 0.826 407 L CB 1.069 43.051 42.059 -0.128 0.000 1.211 407 L HN 0.529 nan 8.230 nan 0.000 0.422 408 D N 1.654 122.073 120.400 0.031 0.000 2.302 408 D HA 0.052 4.692 4.640 -0.000 0.000 0.248 408 D C 0.214 176.327 176.300 -0.311 0.000 1.094 408 D CA 0.000 53.968 54.000 -0.054 0.000 0.897 408 D CB 1.966 42.741 40.800 -0.042 0.000 1.200 408 D HN 0.377 nan 8.370 nan 0.000 0.429 409 S N 2.061 117.422 115.700 -0.564 0.000 2.546 409 S HA 0.038 4.508 4.470 -0.000 0.000 0.290 409 S C -1.414 172.834 174.600 -0.587 0.000 1.290 409 S CA -0.972 56.574 58.200 -1.089 0.000 1.069 409 S CB 0.569 63.412 63.200 -0.595 0.000 0.846 409 S HN 0.282 nan 8.310 nan 0.000 0.495 410 P HA 0.171 nan 4.420 nan 0.000 0.249 410 P C -0.367 176.582 177.300 -0.584 0.000 1.229 410 P CA 0.146 62.922 63.100 -0.540 0.000 0.788 410 P CB -0.025 31.387 31.700 -0.480 0.000 1.072 411 F N 1.075 120.941 119.950 -0.139 0.000 2.457 411 F HA 0.513 5.039 4.527 -0.000 0.000 0.330 411 F C -1.677 174.080 175.800 -0.071 0.000 1.069 411 F CA -2.815 55.133 58.000 -0.087 0.000 1.009 411 F CB -0.914 38.077 39.000 -0.015 0.000 1.276 411 F HN -0.288 nan 8.300 nan 0.000 0.492 412 P HA 0.151 nan 4.420 nan 0.000 0.274 412 P C -0.639 176.710 177.300 0.082 0.000 1.260 412 P CA -0.415 62.731 63.100 0.077 0.000 0.793 412 P CB 0.214 31.946 31.700 0.053 0.000 1.048 413 T N 0.427 115.020 114.554 0.064 0.000 2.946 413 T HA 0.309 4.659 4.350 -0.000 0.000 0.311 413 T C 1.298 176.047 174.700 0.083 0.000 1.063 413 T CA 1.561 63.711 62.100 0.082 0.000 1.139 413 T CB -0.569 68.342 68.868 0.071 0.000 0.994 413 T HN 0.838 nan 8.240 nan 0.000 0.547 414 G N 1.770 110.644 108.800 0.124 0.000 2.157 414 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.248 414 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.248 414 G C 1.188 176.093 174.900 0.008 0.000 0.979 414 G CA 0.869 46.038 45.100 0.115 0.000 0.650 414 G HN 1.033 nan 8.290 nan 0.000 0.529 415 S N -0.246 115.448 115.700 -0.010 0.000 2.453 415 S HA 0.408 4.878 4.470 -0.000 0.000 0.231 415 S C 2.061 176.502 174.600 -0.266 0.000 1.005 415 S CA 1.700 59.833 58.200 -0.113 0.000 0.949 415 S CB -0.170 63.044 63.200 0.023 0.000 0.774 415 S HN 2.387 nan 8.310 nan 0.000 0.510 416 A N -0.147 122.523 122.820 -0.251 0.000 2.905 416 A HA -0.204 4.116 4.320 -0.000 0.000 0.260 416 A C 0.209 177.734 177.584 -0.097 0.000 1.398 416 A CA 0.613 52.415 52.037 -0.392 0.000 0.840 416 A CB -3.065 15.553 19.000 -0.637 0.000 1.059 416 A HN 1.104 nan 8.150 nan 0.000 0.647 417 F N 0.410 120.307 119.950 -0.088 0.000 2.512 417 F HA 0.310 4.837 4.527 -0.000 0.000 0.406 417 F C 1.475 177.320 175.800 0.076 0.000 0.990 417 F CA 1.847 59.902 58.000 0.092 0.000 1.137 417 F CB -0.177 38.955 39.000 0.220 0.000 0.960 417 F HN 1.583 nan 8.300 nan 0.000 0.533 418 G N 5.038 113.619 108.800 -0.365 0.000 2.213 418 G HA2 -0.383 3.577 3.960 -0.000 0.000 0.226 418 G HA3 -0.383 3.577 3.960 -0.000 0.000 0.226 418 G C 0.809 175.660 174.900 -0.082 0.000 0.992 418 G CA 0.156 45.067 45.100 -0.315 0.000 0.632 418 G HN 0.769 nan 8.290 nan 0.000 0.511 419 F N 2.917 122.796 119.950 -0.119 0.000 2.192 419 F HA 0.152 4.679 4.527 -0.000 0.000 0.301 419 F C 1.580 177.319 175.800 -0.102 0.000 1.079 419 F CA 2.187 60.155 58.000 -0.053 0.000 1.303 419 F CB 0.101 39.138 39.000 0.062 0.000 1.024 419 F HN 0.514 nan 8.300 nan 0.000 0.494 420 S N 0.316 116.014 115.700 -0.005 0.000 2.526 420 S HA 0.712 5.182 4.470 -0.000 0.000 0.293 420 S C -1.069 173.469 174.600 -0.103 0.000 1.092 420 S CA -0.833 57.296 58.200 -0.117 0.000 0.980 420 S CB 2.276 65.446 63.200 -0.050 0.000 1.048 420 S HN 0.142 nan 8.310 nan 0.000 0.483 421 L N 1.448 122.604 121.223 -0.111 0.000 2.434 421 L HA 0.748 5.088 4.340 -0.000 0.000 0.260 421 L C -0.732 176.108 176.870 -0.050 0.000 0.983 421 L CA -0.734 54.055 54.840 -0.085 0.000 0.820 421 L CB 2.628 44.633 42.059 -0.089 0.000 1.361 421 L HN 0.791 nan 8.230 nan 0.000 0.410 422 R N 0.492 120.985 120.500 -0.011 0.000 2.535 422 R HA 0.727 5.067 4.340 -0.000 0.000 0.274 422 R C -0.845 175.612 176.300 0.262 0.000 1.090 422 R CA -0.196 55.949 56.100 0.074 0.000 0.930 422 R CB 2.164 32.453 30.300 -0.020 0.000 1.223 422 R HN 0.750 nan 8.270 nan 0.000 0.441 423 G N 0.504 109.479 108.800 0.292 0.000 3.222 423 G HA2 0.581 4.541 3.960 -0.000 0.000 0.263 423 G HA3 0.581 4.541 3.960 -0.000 0.000 0.263 423 G C -0.331 174.647 174.900 0.130 0.000 1.312 423 G CA -0.220 45.041 45.100 0.269 0.000 0.934 423 G HN 1.248 nan 8.290 nan 0.000 0.577 424 A N -2.619 120.197 122.820 -0.007 0.000 3.201 424 A HA -0.059 4.261 4.320 -0.000 0.000 0.260 424 A C 0.209 177.654 177.584 -0.232 0.000 1.222 424 A CA 1.088 53.078 52.037 -0.079 0.000 1.124 424 A CB -2.097 16.891 19.000 -0.020 0.000 1.155 424 A HN 1.694 nan 8.150 nan 0.000 0.924 425 V N 0.712 120.325 119.914 -0.501 0.000 2.588 425 V HA 0.565 4.685 4.120 -0.000 0.000 0.304 425 V C -0.369 175.365 176.094 -0.599 0.000 1.042 425 V CA -0.207 61.660 62.300 -0.722 0.000 0.877 425 V CB 1.919 32.932 31.823 -1.350 0.000 0.996 425 V HN 0.455 nan 8.190 nan 0.000 0.425 426 D N 3.349 123.526 120.400 -0.372 0.000 2.411 426 D HA 0.255 4.895 4.640 -0.000 0.000 0.225 426 D C 0.613 176.735 176.300 -0.297 0.000 1.156 426 D CA -0.004 53.843 54.000 -0.256 0.000 0.874 426 D CB 1.174 41.879 40.800 -0.160 0.000 1.034 426 D HN 0.540 nan 8.370 nan 0.000 0.502 427 I N 2.568 122.921 120.570 -0.362 0.000 2.584 427 I HA -0.092 4.078 4.170 -0.000 0.000 0.255 427 I C 0.920 176.639 176.117 -0.664 0.000 1.145 427 I CA 0.666 61.688 61.300 -0.463 0.000 1.462 427 I CB 0.389 38.104 38.000 -0.475 0.000 1.102 427 I HN 0.322 nan 8.210 nan 0.000 0.433 428 D N -1.140 118.926 120.400 -0.557 0.000 2.369 428 D HA -0.048 4.592 4.640 -0.000 0.000 0.211 428 D C 0.493 176.753 176.300 -0.065 0.000 1.077 428 D CA 0.086 53.906 54.000 -0.301 0.000 0.842 428 D CB -0.317 40.423 40.800 -0.101 0.000 0.947 428 D HN 0.246 nan 8.370 nan 0.000 0.509 429 D N 0.884 121.228 120.400 -0.093 0.000 2.746 429 D HA -0.203 4.437 4.640 -0.000 0.000 0.236 429 D C 0.083 176.387 176.300 0.007 0.000 1.129 429 D CA 0.993 54.970 54.000 -0.037 0.000 0.691 429 D CB -1.471 39.324 40.800 -0.009 0.000 1.077 429 D HN 0.436 nan 8.370 nan 0.000 0.432 430 N N 0.034 118.753 118.700 0.031 0.000 2.230 430 N HA 0.219 4.959 4.740 -0.000 0.000 0.202 430 N C 1.550 177.141 175.510 0.134 0.000 1.119 430 N CA 0.842 53.953 53.050 0.102 0.000 0.851 430 N CB 0.234 38.803 38.487 0.138 0.000 0.990 430 N HN 0.537 nan 8.380 nan 0.000 0.497 431 G N -0.543 108.264 108.800 0.013 0.000 2.162 431 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.260 431 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.260 431 G C -0.774 173.949 174.900 -0.295 0.000 0.976 431 G CA 0.496 45.514 45.100 -0.136 0.000 0.655 431 G HN 0.440 nan 8.290 nan 0.000 0.533 432 Y N 0.752 121.022 120.300 -0.049 0.000 2.376 432 Y HA 0.571 5.121 4.550 -0.000 0.000 0.340 432 Y C -2.088 173.771 175.900 -0.069 0.000 0.965 432 Y CA -2.566 55.507 58.100 -0.044 0.000 1.078 432 Y CB 2.398 40.845 38.460 -0.022 0.000 1.193 432 Y HN -0.028 nan 8.280 nan 0.000 0.452 433 P HA 0.162 nan 4.420 nan 0.000 0.278 433 P C -0.920 176.387 177.300 0.012 0.000 1.238 433 P CA -0.149 62.933 63.100 -0.029 0.000 0.794 433 P CB 1.684 33.355 31.700 -0.049 0.000 0.955 434 D N 1.175 121.556 120.400 -0.031 0.000 2.506 434 D HA 0.529 5.169 4.640 -0.000 0.000 0.254 434 D C -0.596 175.816 176.300 0.186 0.000 1.089 434 D CA -0.243 53.797 54.000 0.066 0.000 1.050 434 D CB 1.411 42.227 40.800 0.027 0.000 1.221 434 D HN 0.180 nan 8.370 nan 0.000 0.589 435 L N 0.876 122.252 121.223 0.255 0.000 2.410 435 L HA 0.469 4.809 4.340 -0.000 0.000 0.270 435 L C -1.114 175.938 176.870 0.303 0.000 0.983 435 L CA -0.633 54.369 54.840 0.271 0.000 0.822 435 L CB 1.448 43.597 42.059 0.151 0.000 1.285 435 L HN 0.371 nan 8.230 nan 0.000 0.409 436 I N 3.148 123.838 120.570 0.200 0.000 2.404 436 I HA 0.787 4.957 4.170 -0.000 0.000 0.293 436 I C -1.223 174.939 176.117 0.074 0.000 0.992 436 I CA -0.909 60.454 61.300 0.106 0.000 1.149 436 I CB 1.919 39.829 38.000 -0.150 0.000 1.315 436 I HN 0.294 nan 8.210 nan 0.000 0.446 437 V N 4.936 124.940 119.914 0.150 0.000 2.483 437 V HA 0.632 4.752 4.120 -0.000 0.000 0.297 437 V C 0.670 176.827 176.094 0.104 0.000 1.027 437 V CA -0.428 61.895 62.300 0.039 0.000 0.855 437 V CB 1.486 33.274 31.823 -0.058 0.000 0.995 437 V HN 0.985 nan 8.190 nan 0.000 0.424 438 G N 2.896 111.716 108.800 0.034 0.000 2.420 438 G HA2 0.611 4.571 3.960 -0.000 0.000 0.284 438 G HA3 0.611 4.571 3.960 -0.000 0.000 0.284 438 G C -0.153 174.811 174.900 0.105 0.000 1.177 438 G CA -0.056 45.101 45.100 0.095 0.000 0.841 438 G HN 1.202 nan 8.290 nan 0.000 0.527 439 A N 2.091 124.959 122.820 0.080 0.000 2.943 439 A HA 0.468 4.788 4.320 -0.000 0.000 0.327 439 A C 0.346 177.863 177.584 -0.110 0.000 1.141 439 A CA -0.653 51.356 52.037 -0.047 0.000 0.773 439 A CB 0.004 18.843 19.000 -0.268 0.000 1.143 439 A HN 1.036 nan 8.150 nan 0.000 0.463 440 Y N -0.179 120.118 120.300 -0.005 0.000 2.352 440 Y HA 0.104 4.654 4.550 -0.000 0.000 0.292 440 Y C 1.626 177.537 175.900 0.018 0.000 1.136 440 Y CA 1.404 59.531 58.100 0.045 0.000 1.227 440 Y CB -0.527 38.001 38.460 0.113 0.000 0.991 440 Y HN 0.366 nan 8.280 nan 0.000 0.545 441 G N 0.299 108.771 108.800 -0.546 0.000 2.471 441 G HA2 -0.026 3.934 3.960 -0.000 0.000 0.219 441 G HA3 -0.026 3.934 3.960 -0.000 0.000 0.219 441 G C 1.476 176.285 174.900 -0.153 0.000 1.125 441 G CA 0.557 45.457 45.100 -0.333 0.000 0.775 441 G HN 0.644 nan 8.290 nan 0.000 0.548 442 A N 0.165 122.866 122.820 -0.199 0.000 2.390 442 A HA 0.283 4.603 4.320 -0.000 0.000 0.232 442 A C 1.094 178.592 177.584 -0.143 0.000 1.233 442 A CA 0.223 52.141 52.037 -0.198 0.000 0.907 442 A CB -0.104 18.658 19.000 -0.397 0.000 0.967 442 A HN 0.245 nan 8.150 nan 0.000 0.512 443 N N 0.109 118.789 118.700 -0.033 0.000 2.727 443 N HA -0.164 4.576 4.740 -0.000 0.000 0.249 443 N C -0.448 175.128 175.510 0.111 0.000 1.048 443 N CA 1.364 54.471 53.050 0.095 0.000 0.714 443 N CB -1.184 37.319 38.487 0.026 0.000 0.959 443 N HN 0.796 nan 8.380 nan 0.000 0.544 444 Q N -0.840 119.018 119.800 0.097 0.000 2.501 444 Q HA 0.718 5.058 4.340 -0.000 0.000 0.288 444 Q C -0.890 175.285 176.000 0.292 0.000 1.051 444 Q CA -0.823 55.086 55.803 0.177 0.000 0.788 444 Q CB 2.778 31.481 28.738 -0.059 0.000 1.469 444 Q HN 0.015 nan 8.270 nan 0.000 0.416 445 V N 0.534 120.752 119.914 0.506 0.000 2.709 445 V HA 0.779 4.899 4.120 -0.000 0.000 0.308 445 V C -1.079 175.365 176.094 0.584 0.000 1.062 445 V CA -0.700 61.878 62.300 0.464 0.000 0.901 445 V CB 1.773 33.813 31.823 0.363 0.000 1.003 445 V HN 0.839 nan 8.190 nan 0.000 0.425 446 A N 4.010 127.159 122.820 0.549 0.000 2.330 446 A HA 0.860 5.179 4.320 -0.000 0.000 0.327 446 A C -0.820 176.876 177.584 0.187 0.000 1.155 446 A CA -0.541 51.688 52.037 0.319 0.000 0.803 446 A CB 1.470 20.726 19.000 0.427 0.000 1.208 446 A HN 0.703 nan 8.150 nan 0.000 0.477 447 V N 2.968 122.891 119.914 0.015 0.000 2.370 447 V HA 0.298 4.418 4.120 -0.000 0.000 0.283 447 V C -1.203 174.857 176.094 -0.058 0.000 1.023 447 V CA -0.323 62.056 62.300 0.132 0.000 0.857 447 V CB 0.519 32.531 31.823 0.316 0.000 0.985 447 V HN 0.735 nan 8.190 nan 0.000 0.443 448 Y N 3.877 124.237 120.300 0.100 0.000 2.353 448 Y HA 0.528 5.078 4.550 -0.000 0.000 0.340 448 Y C 0.787 176.723 175.900 0.060 0.000 0.972 448 Y CA -0.580 57.562 58.100 0.069 0.000 1.157 448 Y CB 1.027 39.534 38.460 0.077 0.000 1.157 448 Y HN 0.471 nan 8.280 nan 0.000 0.495 449 R N 2.171 122.762 120.500 0.151 0.000 2.265 449 R HA 0.615 4.955 4.340 -0.000 0.000 0.314 449 R C -0.179 176.162 176.300 0.068 0.000 1.053 449 R CA -0.587 55.563 56.100 0.085 0.000 0.931 449 R CB 0.852 31.194 30.300 0.069 0.000 1.024 449 R HN 0.785 nan 8.270 nan 0.000 0.457 450 A N 3.328 126.176 122.820 0.047 0.000 2.425 450 A HA 0.197 4.517 4.320 -0.000 0.000 0.249 450 A C -0.288 177.206 177.584 -0.150 0.000 1.084 450 A CA -0.220 51.815 52.037 -0.003 0.000 0.781 450 A CB 0.608 19.654 19.000 0.077 0.000 1.019 450 A HN 0.549 nan 8.150 nan 0.000 0.490 451 Q N 0.523 120.140 119.800 -0.305 0.000 2.528 451 Q HA 0.473 4.813 4.340 -0.000 0.000 0.289 451 Q C -2.748 172.788 176.000 -0.773 0.000 1.091 451 Q CA -2.089 53.430 55.803 -0.473 0.000 0.797 451 Q CB 0.848 29.459 28.738 -0.212 0.000 1.466 451 Q HN 0.410 nan 8.270 nan 0.000 0.436 452 P HA -0.005 nan 4.420 nan 0.000 0.266 452 P C -0.415 176.768 177.300 -0.196 0.000 1.195 452 P CA 0.036 62.866 63.100 -0.450 0.000 0.768 452 P CB 0.400 32.009 31.700 -0.152 0.000 0.838 453 V N 4.268 124.143 119.914 -0.065 0.000 2.673 453 V HA -0.033 4.087 4.120 -0.000 0.000 0.303 453 V C 1.074 177.160 176.094 -0.012 0.000 1.046 453 V CA 0.287 62.578 62.300 -0.015 0.000 1.126 453 V CB 0.487 32.335 31.823 0.042 0.000 0.934 453 V HN 0.278 nan 8.190 nan 0.000 0.487 454 V N 0.000 119.905 119.914 -0.014 0.000 2.409 454 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 454 V CA 0.000 62.295 62.300 -0.009 0.000 1.235 454 V CB 0.000 31.816 31.823 -0.012 0.000 1.184 454 V HN 0.000 nan 8.190 nan 0.000 0.556