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 1brm_1_A DATA FIRST_RESID 1 DATA SEQUENCE MKNVGFIGWR GMVGSVLMQR MVEERDFDAI RPVFFSTSQL GQAAPSFGGT DATA SEQUENCE TGTLQDAFDL EALKALDIIV TCQGGDYTNE IYPKLRESGW QGYWIDAASS DATA SEQUENCE LRMKDDAIII LDPVNQDVIT DGLNNGIRTF VGGNCTVSLM LMSLGGLFAN DATA SEQUENCE DLVDWVSVAT YQAASGGGAR HMRELLTQMG HLYGHVADEL ATPSSAILDI DATA SEQUENCE ERKVTTLTRS GELPVDNFGV PLAGSLIPWI DXXXXXXXXX XXWKGQAETN DATA SEQUENCE KILNTSSVIP VDGLCVRVGA LRCHSQAFTI KLKKDVSIPT VEELLAAHNP DATA SEQUENCE WAKVVPNDRE ITMRELTPAA VTGTLTTPVG RLRKLNMGPE FLSAFTVGDQ DATA SEQUENCE LLWGAAEPLR RMLRQLA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.311 176.300 0.018 0.000 1.140 1 M CA 0.000 55.310 55.300 0.017 0.000 0.988 1 M CB 0.000 32.612 32.600 0.019 0.000 1.302 2 K N 1.317 121.729 120.400 0.020 0.000 2.107 2 K HA 0.424 4.744 4.320 -0.001 0.000 0.251 2 K C -0.357 176.253 176.600 0.017 0.000 1.012 2 K CA -0.682 55.620 56.287 0.026 0.000 0.920 2 K CB 0.649 33.170 32.500 0.036 0.000 1.033 2 K HN 0.532 nan 8.250 nan 0.000 0.478 3 N N 1.351 120.066 118.700 0.026 0.000 2.485 3 N HA 0.155 4.894 4.740 -0.001 0.000 0.243 3 N C -1.148 174.357 175.510 -0.008 0.000 0.987 3 N CA -0.207 52.850 53.050 0.011 0.000 0.940 3 N CB 1.436 39.945 38.487 0.037 0.000 1.122 3 N HN 0.123 nan 8.380 nan 0.000 0.509 4 V N 1.133 120.987 119.914 -0.100 0.000 2.398 4 V HA 0.543 4.662 4.120 -0.001 0.000 0.286 4 V C 0.780 176.617 176.094 -0.429 0.000 1.026 4 V CA -0.766 61.376 62.300 -0.263 0.000 0.868 4 V CB 1.615 33.214 31.823 -0.374 0.000 0.982 4 V HN 0.636 nan 8.190 nan 0.000 0.443 5 G N 3.599 112.196 108.800 -0.339 0.000 2.379 5 G HA2 0.673 4.633 3.960 -0.001 0.000 0.327 5 G HA3 0.673 4.633 3.960 -0.001 0.000 0.327 5 G C -1.278 173.414 174.900 -0.345 0.000 1.145 5 G CA -0.285 44.758 45.100 -0.096 0.000 0.905 5 G HN 0.392 nan 8.290 nan 0.000 0.466 6 F N 1.158 121.338 119.950 0.383 0.000 2.467 6 F HA 0.582 5.108 4.527 -0.001 0.000 0.336 6 F C 0.139 176.217 175.800 0.463 0.000 1.123 6 F CA -0.846 57.361 58.000 0.345 0.000 0.964 6 F CB 2.104 41.370 39.000 0.442 0.000 1.136 6 F HN 0.164 nan 8.300 nan 0.000 0.447 7 I N 1.510 122.282 120.570 0.337 0.000 2.509 7 I HA 0.603 4.773 4.170 -0.001 0.000 0.293 7 I C 0.606 176.734 176.117 0.017 0.000 1.020 7 I CA -0.770 60.589 61.300 0.098 0.000 1.088 7 I CB 1.901 39.658 38.000 -0.405 0.000 1.267 7 I HN 0.763 nan 8.210 nan 0.000 0.430 8 G N 4.503 113.241 108.800 -0.103 0.000 2.221 8 G HA2 -0.213 3.747 3.960 -0.001 0.000 0.265 8 G HA3 -0.213 3.747 3.960 -0.001 0.000 0.265 8 G C 0.452 175.264 174.900 -0.146 0.000 1.041 8 G CA 0.564 45.541 45.100 -0.206 0.000 0.807 8 G HN 0.935 nan 8.290 nan 0.000 0.502 9 W N -0.218 121.070 121.300 -0.020 0.000 3.180 9 W HA 0.145 4.805 4.660 -0.001 0.000 0.254 9 W C 1.404 177.878 176.519 -0.075 0.000 1.318 9 W CA 0.442 57.753 57.345 -0.057 0.000 1.608 9 W CB -0.626 28.809 29.460 -0.041 0.000 1.124 9 W HN 0.499 nan 8.180 nan 0.000 0.694 10 R N 0.968 120.990 120.500 -0.796 0.000 2.189 10 R HA 0.223 4.563 4.340 -0.001 0.000 0.203 10 R C 1.669 177.766 176.300 -0.339 0.000 1.012 10 R CA 0.682 56.342 56.100 -0.735 0.000 1.015 10 R CB -0.871 28.832 30.300 -0.995 0.000 0.938 10 R HN -0.009 nan 8.270 nan 0.000 0.472 11 G N 1.133 109.772 108.800 -0.269 0.000 2.631 11 G HA2 0.051 4.011 3.960 -0.001 0.000 0.271 11 G HA3 0.051 4.011 3.960 -0.001 0.000 0.271 11 G C 0.678 175.508 174.900 -0.116 0.000 1.302 11 G CA -0.413 44.588 45.100 -0.165 0.000 1.002 11 G HN 0.092 nan 8.290 nan 0.000 0.519 12 M N -0.697 118.849 119.600 -0.090 0.000 2.180 12 M HA -0.178 4.301 4.480 -0.001 0.000 0.260 12 M C 2.571 178.828 176.300 -0.073 0.000 1.071 12 M CA 2.148 57.405 55.300 -0.072 0.000 1.096 12 M CB -0.508 32.054 32.600 -0.064 0.000 1.276 12 M HN 0.227 nan 8.290 nan 0.000 0.426 13 V N 0.504 120.374 119.914 -0.074 0.000 2.324 13 V HA -0.253 3.866 4.120 -0.001 0.000 0.250 13 V C 2.529 178.578 176.094 -0.076 0.000 1.060 13 V CA 2.096 64.352 62.300 -0.074 0.000 1.042 13 V CB -2.088 29.695 31.823 -0.066 0.000 0.650 13 V HN 0.804 nan 8.190 nan 0.000 0.450 14 G N -0.064 108.695 108.800 -0.069 0.000 2.459 14 G HA2 -0.252 3.707 3.960 -0.001 0.000 0.217 14 G HA3 -0.252 3.707 3.960 -0.001 0.000 0.217 14 G C 1.755 176.622 174.900 -0.055 0.000 1.183 14 G CA 1.146 46.220 45.100 -0.043 0.000 0.776 14 G HN 0.549 nan 8.290 nan 0.000 0.552 15 S N 0.073 115.741 115.700 -0.054 0.000 2.440 15 S HA -0.098 4.371 4.470 -0.001 0.000 0.238 15 S C 2.262 176.820 174.600 -0.071 0.000 1.010 15 S CA 1.138 59.313 58.200 -0.041 0.000 0.972 15 S CB -0.073 63.107 63.200 -0.033 0.000 0.774 15 S HN 0.202 nan 8.310 nan 0.000 0.501 16 V N 0.932 120.795 119.914 -0.086 0.000 2.599 16 V HA 0.051 4.171 4.120 -0.001 0.000 0.245 16 V C 2.065 178.078 176.094 -0.135 0.000 1.046 16 V CA 0.791 63.031 62.300 -0.101 0.000 1.065 16 V CB -0.451 31.312 31.823 -0.100 0.000 0.703 16 V HN 0.364 nan 8.190 nan 0.000 0.464 17 L N -0.365 120.772 121.223 -0.143 0.000 2.056 17 L HA -0.089 4.250 4.340 -0.001 0.000 0.207 17 L C 2.257 178.988 176.870 -0.232 0.000 1.078 17 L CA 2.127 56.860 54.840 -0.179 0.000 0.749 17 L CB -0.655 41.311 42.059 -0.155 0.000 0.901 17 L HN 0.163 nan 8.230 nan 0.000 0.433 18 M N -0.528 118.913 119.600 -0.265 0.000 2.059 18 M HA -0.220 4.260 4.480 -0.001 0.000 0.259 18 M C 2.301 178.421 176.300 -0.300 0.000 1.072 18 M CA 1.968 57.014 55.300 -0.423 0.000 1.117 18 M CB -1.518 30.666 32.600 -0.695 0.000 1.320 18 M HN 0.500 nan 8.290 nan 0.000 0.408 19 Q N -0.343 119.334 119.800 -0.205 0.000 2.077 19 Q HA -0.238 4.101 4.340 -0.001 0.000 0.206 19 Q C 2.217 178.163 176.000 -0.091 0.000 0.989 19 Q CA 1.721 57.460 55.803 -0.107 0.000 0.853 19 Q CB -0.054 28.643 28.738 -0.067 0.000 0.907 19 Q HN 0.236 nan 8.270 nan 0.000 0.418 20 R N 0.056 120.484 120.500 -0.120 0.000 2.083 20 R HA -0.090 4.250 4.340 -0.001 0.000 0.237 20 R C 2.254 178.491 176.300 -0.106 0.000 1.137 20 R CA 1.706 57.733 56.100 -0.122 0.000 0.951 20 R CB -0.729 29.468 30.300 -0.172 0.000 0.851 20 R HN 0.486 nan 8.270 nan 0.000 0.434 21 M N -0.114 119.407 119.600 -0.131 0.000 2.065 21 M HA -0.182 4.298 4.480 -0.001 0.000 0.259 21 M C 2.278 178.600 176.300 0.038 0.000 1.069 21 M CA 1.540 56.769 55.300 -0.120 0.000 1.110 21 M CB -0.233 32.195 32.600 -0.286 0.000 1.328 21 M HN -0.098 nan 8.290 nan 0.000 0.405 22 V N 0.273 120.242 119.914 0.091 0.000 2.324 22 V HA -0.312 3.808 4.120 -0.001 0.000 0.250 22 V C 2.006 178.138 176.094 0.063 0.000 1.060 22 V CA 2.071 64.442 62.300 0.118 0.000 1.042 22 V CB -0.795 31.065 31.823 0.061 0.000 0.650 22 V HN 0.503 nan 8.190 nan 0.000 0.450 23 E N -0.217 119.993 120.200 0.017 0.000 2.058 23 E HA -0.199 4.150 4.350 -0.001 0.000 0.194 23 E C 1.834 178.441 176.600 0.012 0.000 0.997 23 E CA 1.300 57.705 56.400 0.007 0.000 0.801 23 E CB -0.035 29.655 29.700 -0.016 0.000 0.746 23 E HN 0.563 nan 8.360 nan 0.000 0.450 24 E N 0.235 120.435 120.200 -0.001 0.000 2.403 24 E HA 0.058 4.407 4.350 -0.001 0.000 0.188 24 E C -0.298 176.312 176.600 0.017 0.000 1.056 24 E CA -0.094 56.306 56.400 0.000 0.000 0.892 24 E CB 0.233 29.917 29.700 -0.026 0.000 1.049 24 E HN 0.167 nan 8.360 nan 0.000 0.465 25 R N 1.104 121.633 120.500 0.049 0.000 3.322 25 R HA -0.168 4.171 4.340 -0.001 0.000 0.253 25 R C -0.130 176.208 176.300 0.064 0.000 0.987 25 R CA 0.466 56.614 56.100 0.079 0.000 0.666 25 R CB -1.308 29.026 30.300 0.057 0.000 1.072 25 R HN 0.182 nan 8.270 nan 0.000 0.447 26 D N -0.649 119.767 120.400 0.026 0.000 2.277 26 D HA -0.063 4.577 4.640 -0.001 0.000 0.208 26 D C 1.359 177.604 176.300 -0.091 0.000 0.962 26 D CA 0.970 54.922 54.000 -0.079 0.000 0.865 26 D CB -0.076 40.599 40.800 -0.208 0.000 0.939 26 D HN 0.310 nan 8.370 nan 0.000 0.510 27 F N 1.291 121.255 119.950 0.024 0.000 2.502 27 F HA -0.057 4.469 4.527 -0.001 0.000 0.298 27 F C 1.944 177.775 175.800 0.051 0.000 1.111 27 F CA 0.505 58.542 58.000 0.062 0.000 1.445 27 F CB 0.049 39.096 39.000 0.078 0.000 1.081 27 F HN -0.188 nan 8.300 nan 0.000 0.558 28 D N 0.290 120.805 120.400 0.193 0.000 2.117 28 D HA -0.131 4.508 4.640 -0.001 0.000 0.197 28 D C 2.015 178.362 176.300 0.079 0.000 0.987 28 D CA 1.387 55.458 54.000 0.118 0.000 0.829 28 D CB -0.338 40.512 40.800 0.082 0.000 0.961 28 D HN 0.208 nan 8.370 nan 0.000 0.460 29 A N -0.197 122.657 122.820 0.055 0.000 2.370 29 A HA 0.390 4.710 4.320 -0.001 0.000 0.238 29 A C 0.631 178.233 177.584 0.030 0.000 1.289 29 A CA -0.175 51.881 52.037 0.032 0.000 0.885 29 A CB -0.732 18.276 19.000 0.013 0.000 0.961 29 A HN 0.324 nan 8.150 nan 0.000 0.499 30 I N -5.695 114.907 120.570 0.054 0.000 3.195 30 I HA 0.562 4.732 4.170 -0.001 0.000 0.313 30 I C -0.779 175.380 176.117 0.070 0.000 1.237 30 I CA -1.323 60.005 61.300 0.047 0.000 0.963 30 I CB 1.671 39.690 38.000 0.032 0.000 1.278 30 I HN -0.113 nan 8.210 nan 0.000 0.460 31 R N 2.134 122.655 120.500 0.035 0.000 2.247 31 R HA 0.428 4.767 4.340 -0.001 0.000 0.329 31 R C -2.594 173.697 176.300 -0.015 0.000 1.014 31 R CA -1.562 54.547 56.100 0.014 0.000 0.907 31 R CB 0.864 31.159 30.300 -0.009 0.000 1.146 31 R HN 0.426 nan 8.270 nan 0.000 0.499 32 P HA 0.067 nan 4.420 nan 0.000 0.276 32 P C -0.447 176.590 177.300 -0.438 0.000 1.253 32 P CA -0.175 62.900 63.100 -0.042 0.000 0.766 32 P CB 1.247 33.076 31.700 0.215 0.000 0.845 33 V N 5.015 124.681 119.914 -0.414 0.000 2.409 33 V HA 0.384 4.504 4.120 -0.001 0.000 0.291 33 V C -0.118 175.768 176.094 -0.346 0.000 1.020 33 V CA -0.528 61.515 62.300 -0.429 0.000 0.848 33 V CB 0.727 32.434 31.823 -0.193 0.000 0.990 33 V HN 0.275 nan 8.190 nan 0.000 0.430 34 F N 4.291 124.138 119.950 -0.171 0.000 2.421 34 F HA 0.774 5.300 4.527 -0.001 0.000 0.337 34 F C -0.210 175.471 175.800 -0.199 0.000 1.105 34 F CA -1.412 56.526 58.000 -0.104 0.000 1.049 34 F CB 1.215 40.022 39.000 -0.320 0.000 1.139 34 F HN 0.279 nan 8.300 nan 0.000 0.479 35 F N 0.575 120.812 119.950 0.478 0.000 2.538 35 F HA 0.607 5.134 4.527 -0.001 0.000 0.325 35 F C 0.076 176.103 175.800 0.378 0.000 1.066 35 F CA -1.034 57.159 58.000 0.321 0.000 0.946 35 F CB 2.225 41.326 39.000 0.169 0.000 1.199 35 F HN 0.312 nan 8.300 nan 0.000 0.473 36 S N -0.107 115.824 115.700 0.385 0.000 2.441 36 S HA 0.133 4.602 4.470 -0.001 0.000 0.187 36 S C 0.601 175.312 174.600 0.185 0.000 0.917 36 S CA -0.067 58.279 58.200 0.243 0.000 1.078 36 S CB -0.165 63.191 63.200 0.259 0.000 1.379 36 S HN 0.933 nan 8.310 nan 0.000 0.399 37 T N 1.393 116.060 114.554 0.189 0.000 2.701 37 T HA -0.281 4.069 4.350 -0.001 0.000 0.265 37 T C 2.025 176.823 174.700 0.165 0.000 1.032 37 T CA 2.580 64.825 62.100 0.241 0.000 1.158 37 T CB -1.259 67.809 68.868 0.333 0.000 0.854 37 T HN 0.896 nan 8.240 nan 0.000 0.463 38 S N 1.006 116.774 115.700 0.114 0.000 2.365 38 S HA -0.129 4.340 4.470 -0.001 0.000 0.225 38 S C 1.293 175.939 174.600 0.076 0.000 1.039 38 S CA 1.482 59.727 58.200 0.076 0.000 1.033 38 S CB -0.368 62.853 63.200 0.035 0.000 0.887 38 S HN 0.805 nan 8.310 nan 0.000 0.447 39 Q N 0.779 120.633 119.800 0.090 0.000 3.429 39 Q HA 0.376 4.716 4.340 -0.001 0.000 0.237 39 Q C -1.530 174.527 176.000 0.096 0.000 0.932 39 Q CA -0.288 55.565 55.803 0.082 0.000 0.731 39 Q CB 1.048 29.828 28.738 0.069 0.000 1.383 39 Q HN 0.480 nan 8.270 nan 0.000 0.446 40 L N -1.343 119.939 121.223 0.099 0.000 2.456 40 L HA 0.563 4.902 4.340 -0.001 0.000 0.272 40 L C 1.407 178.315 176.870 0.063 0.000 1.189 40 L CA 0.530 55.426 54.840 0.093 0.000 0.846 40 L CB 0.107 42.229 42.059 0.104 0.000 1.111 40 L HN 0.592 nan 8.230 nan 0.000 0.475 41 G N 0.086 108.913 108.800 0.046 0.000 2.579 41 G HA2 -0.271 3.689 3.960 -0.001 0.000 0.222 41 G HA3 -0.271 3.689 3.960 -0.001 0.000 0.222 41 G C 0.532 175.448 174.900 0.026 0.000 1.201 41 G CA 0.170 45.287 45.100 0.028 0.000 0.710 41 G HN 0.705 nan 8.290 nan 0.000 0.516 42 Q N 0.972 120.795 119.800 0.039 0.000 2.714 42 Q HA 0.352 4.692 4.340 -0.001 0.000 0.269 42 Q C 1.020 177.039 176.000 0.032 0.000 1.189 42 Q CA 0.421 56.245 55.803 0.035 0.000 1.039 42 Q CB 0.096 28.862 28.738 0.046 0.000 1.339 42 Q HN 1.164 nan 8.270 nan 0.000 0.537 43 A N 0.358 123.191 122.820 0.021 0.000 2.488 43 A HA 0.447 4.766 4.320 -0.001 0.000 0.249 43 A C -0.199 177.397 177.584 0.020 0.000 1.083 43 A CA 0.355 52.397 52.037 0.008 0.000 0.768 43 A CB 0.162 19.157 19.000 -0.008 0.000 1.017 43 A HN 0.644 nan 8.150 nan 0.000 0.496 44 A N 3.961 126.790 122.820 0.014 0.000 2.242 44 A HA 0.832 5.152 4.320 -0.001 0.000 0.304 44 A C -2.011 175.513 177.584 -0.101 0.000 1.100 44 A CA -1.545 50.505 52.037 0.023 0.000 0.860 44 A CB -0.126 18.963 19.000 0.148 0.000 1.168 44 A HN 0.746 nan 8.150 nan 0.000 0.503 45 P HA 0.215 nan 4.420 nan 0.000 0.274 45 P C -0.275 176.753 177.300 -0.454 0.000 1.246 45 P CA -0.175 62.581 63.100 -0.575 0.000 0.795 45 P CB 0.874 31.839 31.700 -1.225 0.000 1.006 46 S N -0.783 114.600 115.700 -0.528 0.000 2.438 46 S HA 0.243 4.712 4.470 -0.001 0.000 0.227 46 S C 0.806 175.191 174.600 -0.358 0.000 1.265 46 S CA -0.570 57.434 58.200 -0.326 0.000 1.265 46 S CB -1.016 62.058 63.200 -0.210 0.000 0.987 46 S HN 0.132 nan 8.310 nan 0.000 0.502 47 F N 2.556 122.301 119.950 -0.342 0.000 2.031 47 F HA 0.152 4.679 4.527 -0.001 0.000 0.295 47 F C 2.535 178.003 175.800 -0.554 0.000 1.133 47 F CA 1.509 59.153 58.000 -0.594 0.000 1.188 47 F CB -1.139 37.139 39.000 -1.203 0.000 0.974 47 F HN 0.542 nan 8.300 nan 0.000 0.473 48 G N -1.391 107.172 108.800 -0.395 0.000 3.061 48 G HA2 0.305 4.264 3.960 -0.001 0.000 0.208 48 G HA3 0.305 4.264 3.960 -0.001 0.000 0.208 48 G C 1.427 176.310 174.900 -0.030 0.000 1.175 48 G CA 0.399 45.449 45.100 -0.084 0.000 0.812 48 G HN 0.810 nan 8.290 nan 0.000 0.523 49 G N -0.393 108.361 108.800 -0.077 0.000 2.153 49 G HA2 -0.276 3.683 3.960 -0.001 0.000 0.252 49 G HA3 -0.276 3.683 3.960 -0.001 0.000 0.252 49 G C 0.377 175.249 174.900 -0.047 0.000 0.994 49 G CA 0.556 45.622 45.100 -0.056 0.000 0.698 49 G HN 0.803 nan 8.290 nan 0.000 0.521 50 T N 1.024 115.547 114.554 -0.051 0.000 2.882 50 T HA 0.569 4.918 4.350 -0.001 0.000 0.287 50 T C 0.570 175.234 174.700 -0.060 0.000 0.992 50 T CA 0.247 62.320 62.100 -0.045 0.000 1.076 50 T CB 1.734 70.576 68.868 -0.043 0.000 0.961 50 T HN 0.865 nan 8.240 nan 0.000 0.490 51 T N 0.235 114.757 114.554 -0.053 0.000 2.743 51 T HA 0.683 5.033 4.350 -0.001 0.000 0.293 51 T C 0.334 174.999 174.700 -0.059 0.000 0.945 51 T CA -0.678 61.391 62.100 -0.052 0.000 1.030 51 T CB 0.914 69.757 68.868 -0.042 0.000 0.912 51 T HN 0.917 nan 8.240 nan 0.000 0.483 52 G N 2.034 110.799 108.800 -0.058 0.000 2.663 52 G HA2 0.737 4.696 3.960 -0.001 0.000 0.299 52 G HA3 0.737 4.696 3.960 -0.001 0.000 0.299 52 G C -0.867 174.008 174.900 -0.042 0.000 1.372 52 G CA -0.693 44.366 45.100 -0.070 0.000 0.781 52 G HN 0.991 nan 8.290 nan 0.000 0.491 53 T N -1.420 113.102 114.554 -0.052 0.000 2.907 53 T HA 0.683 5.033 4.350 -0.001 0.000 0.292 53 T C -0.151 174.533 174.700 -0.027 0.000 1.043 53 T CA -0.725 61.361 62.100 -0.023 0.000 1.003 53 T CB 1.664 70.516 68.868 -0.025 0.000 1.084 53 T HN 0.464 nan 8.240 nan 0.000 0.483 54 L N 2.493 123.733 121.223 0.030 0.000 2.410 54 L HA 0.290 4.629 4.340 -0.001 0.000 0.273 54 L C 0.708 177.562 176.870 -0.025 0.000 1.152 54 L CA -0.628 54.247 54.840 0.059 0.000 0.855 54 L CB 0.371 42.526 42.059 0.161 0.000 1.129 54 L HN 0.539 nan 8.230 nan 0.000 0.463 55 Q N 1.634 121.335 119.800 -0.166 0.000 2.169 55 Q HA 0.232 4.572 4.340 -0.001 0.000 0.234 55 Q C -0.665 175.401 176.000 0.111 0.000 0.980 55 Q CA -0.675 55.016 55.803 -0.187 0.000 0.941 55 Q CB 1.130 29.454 28.738 -0.691 0.000 1.199 55 Q HN 0.430 nan 8.270 nan 0.000 0.496 56 D N 0.139 120.673 120.400 0.223 0.000 2.325 56 D HA 0.191 4.831 4.640 -0.001 0.000 0.251 56 D C 0.462 177.036 176.300 0.457 0.000 1.196 56 D CA -0.001 54.187 54.000 0.312 0.000 0.866 56 D CB 1.228 42.178 40.800 0.251 0.000 1.101 56 D HN 0.546 nan 8.370 nan 0.000 0.476 57 A N 3.908 126.937 122.820 0.348 0.000 2.024 57 A HA -0.181 4.138 4.320 -0.001 0.000 0.220 57 A C 1.343 178.868 177.584 -0.098 0.000 1.164 57 A CA 1.046 53.121 52.037 0.062 0.000 0.643 57 A CB -0.418 18.435 19.000 -0.244 0.000 0.806 57 A HN 0.614 nan 8.150 nan 0.000 0.451 58 F N -0.418 119.688 119.950 0.259 0.000 2.647 58 F HA 0.204 4.731 4.527 -0.001 0.000 0.300 58 F C 0.404 176.263 175.800 0.097 0.000 1.106 58 F CA -0.820 57.276 58.000 0.160 0.000 1.313 58 F CB 0.443 39.518 39.000 0.125 0.000 1.007 58 F HN 0.048 nan 8.300 nan 0.000 0.536 59 D N 1.663 122.214 120.400 0.253 0.000 2.483 59 D HA 0.090 4.729 4.640 -0.001 0.000 0.220 59 D C 1.328 177.691 176.300 0.105 0.000 1.173 59 D CA 0.215 54.325 54.000 0.182 0.000 0.964 59 D CB 0.320 41.244 40.800 0.207 0.000 1.046 59 D HN 0.277 nan 8.370 nan 0.000 0.517 60 L N 2.392 123.646 121.223 0.052 0.000 2.189 60 L HA -0.198 4.141 4.340 -0.001 0.000 0.214 60 L C 2.184 179.039 176.870 -0.025 0.000 1.097 60 L CA 1.176 55.999 54.840 -0.028 0.000 0.764 60 L CB -0.082 41.954 42.059 -0.038 0.000 0.900 60 L HN 0.392 nan 8.230 nan 0.000 0.436 61 E N -0.423 119.792 120.200 0.025 0.000 2.072 61 E HA -0.177 4.172 4.350 -0.001 0.000 0.190 61 E C 2.316 178.949 176.600 0.055 0.000 0.982 61 E CA 1.032 57.452 56.400 0.034 0.000 0.803 61 E CB -0.114 29.613 29.700 0.045 0.000 0.755 61 E HN 0.500 nan 8.360 nan 0.000 0.453 62 A N 0.575 123.454 122.820 0.098 0.000 1.969 62 A HA -0.126 4.193 4.320 -0.001 0.000 0.218 62 A C 2.073 179.764 177.584 0.179 0.000 1.169 62 A CA 0.937 53.072 52.037 0.165 0.000 0.635 62 A CB -0.430 18.726 19.000 0.260 0.000 0.810 62 A HN 0.145 nan 8.150 nan 0.000 0.445 63 L N -1.108 120.145 121.223 0.049 0.000 2.095 63 L HA -0.098 4.242 4.340 -0.001 0.000 0.204 63 L C 2.431 179.145 176.870 -0.260 0.000 1.080 63 L CA 1.349 56.099 54.840 -0.150 0.000 0.759 63 L CB -0.367 41.506 42.059 -0.310 0.000 0.914 63 L HN 0.250 nan 8.230 nan 0.000 0.439 64 K N 0.342 120.614 120.400 -0.213 0.000 2.209 64 K HA -0.112 4.208 4.320 -0.001 0.000 0.204 64 K C 2.077 178.799 176.600 0.203 0.000 1.048 64 K CA 1.171 57.404 56.287 -0.090 0.000 0.940 64 K CB -0.195 32.321 32.500 0.027 0.000 0.729 64 K HN 0.282 nan 8.250 nan 0.000 0.451 65 A N 0.811 123.713 122.820 0.137 0.000 2.119 65 A HA 0.014 4.333 4.320 -0.001 0.000 0.217 65 A C 0.774 178.476 177.584 0.197 0.000 1.153 65 A CA 0.579 52.709 52.037 0.156 0.000 0.692 65 A CB -0.321 18.745 19.000 0.109 0.000 0.799 65 A HN 0.102 nan 8.150 nan 0.000 0.458 66 L N -0.577 120.801 121.223 0.258 0.000 2.421 66 L HA 0.264 4.604 4.340 -0.001 0.000 0.263 66 L C 0.595 177.700 176.870 0.391 0.000 1.122 66 L CA -0.748 54.257 54.840 0.276 0.000 0.804 66 L CB 0.566 42.767 42.059 0.237 0.000 1.150 66 L HN 0.132 nan 8.230 nan 0.000 0.457 67 D N 0.806 121.355 120.400 0.248 0.000 2.262 67 D HA 0.266 4.906 4.640 -0.001 0.000 0.212 67 D C 0.314 176.759 176.300 0.242 0.000 0.964 67 D CA 1.119 55.225 54.000 0.177 0.000 0.875 67 D CB 0.793 41.658 40.800 0.108 0.000 0.996 67 D HN 0.253 nan 8.370 nan 0.000 0.497 68 I N 0.643 121.368 120.570 0.258 0.000 2.769 68 I HA 0.364 4.533 4.170 -0.001 0.000 0.298 68 I C -0.866 175.352 176.117 0.169 0.000 1.128 68 I CA -0.750 60.712 61.300 0.269 0.000 1.031 68 I CB 3.151 41.235 38.000 0.140 0.000 1.235 68 I HN -0.331 nan 8.210 nan 0.000 0.423 69 I N 5.215 125.894 120.570 0.182 0.000 2.466 69 I HA 0.389 4.559 4.170 -0.001 0.000 0.289 69 I C -0.969 174.993 176.117 -0.258 0.000 1.026 69 I CA -0.843 60.401 61.300 -0.094 0.000 1.078 69 I CB 2.314 40.241 38.000 -0.123 0.000 1.249 69 I HN 0.144 nan 8.210 nan 0.000 0.429 70 V N 4.804 124.562 119.914 -0.260 0.000 2.304 70 V HA 0.334 4.453 4.120 -0.001 0.000 0.278 70 V C 0.163 176.181 176.094 -0.127 0.000 1.018 70 V CA -0.522 61.695 62.300 -0.138 0.000 0.814 70 V CB 1.322 33.226 31.823 0.135 0.000 1.021 70 V HN 0.828 nan 8.190 nan 0.000 0.440 71 T N 0.363 114.738 114.554 -0.298 0.000 2.867 71 T HA 0.450 4.800 4.350 -0.001 0.000 0.282 71 T C 0.091 174.724 174.700 -0.113 0.000 1.000 71 T CA -0.557 61.403 62.100 -0.233 0.000 1.042 71 T CB 1.513 70.199 68.868 -0.304 0.000 0.973 71 T HN 0.527 nan 8.240 nan 0.000 0.465 72 C N 2.216 121.465 119.300 -0.085 0.000 3.359 72 C HA 0.325 4.785 4.460 -0.001 0.000 0.258 72 C C 1.746 176.687 174.990 -0.082 0.000 1.840 72 C CA -0.393 58.590 59.018 -0.059 0.000 1.746 72 C CB -0.745 26.970 27.740 -0.041 0.000 3.306 72 C HN 1.047 nan 8.230 nan 0.000 0.485 73 Q N 1.769 121.498 119.800 -0.119 0.000 2.212 73 Q HA 0.390 4.729 4.340 -0.001 0.000 0.199 73 Q C 1.032 177.025 176.000 -0.011 0.000 0.950 73 Q CA 1.760 57.478 55.803 -0.141 0.000 0.863 73 Q CB 0.150 28.655 28.738 -0.390 0.000 0.944 73 Q HN 0.699 nan 8.270 nan 0.000 0.465 74 G N -2.711 106.122 108.800 0.055 0.000 2.440 74 G HA2 0.052 4.011 3.960 -0.001 0.000 0.684 74 G HA3 0.052 4.011 3.960 -0.001 0.000 0.684 74 G C 0.427 175.425 174.900 0.164 0.000 1.309 74 G CA -0.339 44.817 45.100 0.093 0.000 0.931 74 G HN 0.294 nan 8.290 nan 0.000 0.612 75 G N -0.850 108.025 108.800 0.126 0.000 2.443 75 G HA2 0.028 3.987 3.960 -0.001 0.000 0.219 75 G HA3 0.028 3.987 3.960 -0.001 0.000 0.219 75 G C 1.172 176.157 174.900 0.142 0.000 1.131 75 G CA 1.918 47.094 45.100 0.126 0.000 0.775 75 G HN 0.685 nan 8.290 nan 0.000 0.547 76 D N -0.782 119.711 120.400 0.154 0.000 2.117 76 D HA -0.114 4.526 4.640 -0.001 0.000 0.197 76 D C 1.849 178.284 176.300 0.225 0.000 0.987 76 D CA 0.677 54.774 54.000 0.161 0.000 0.829 76 D CB -0.220 40.675 40.800 0.158 0.000 0.961 76 D HN 0.372 nan 8.370 nan 0.000 0.460 77 Y N 1.214 121.607 120.300 0.155 0.000 2.092 77 Y HA -0.205 4.345 4.550 -0.001 0.000 0.282 77 Y C 2.429 178.450 175.900 0.203 0.000 1.126 77 Y CA 1.968 60.181 58.100 0.188 0.000 1.111 77 Y CB -0.716 37.800 38.460 0.095 0.000 0.987 77 Y HN -0.126 nan 8.280 nan 0.000 0.489 78 T N 1.211 115.971 114.554 0.343 0.000 2.653 78 T HA -0.250 4.099 4.350 -0.001 0.000 0.268 78 T C 1.589 176.332 174.700 0.073 0.000 1.035 78 T CA 1.839 64.123 62.100 0.306 0.000 1.154 78 T CB -0.474 68.606 68.868 0.353 0.000 0.862 78 T HN 0.360 nan 8.240 nan 0.000 0.441 79 N N 0.554 119.294 118.700 0.067 0.000 2.443 79 N HA -0.054 4.686 4.740 -0.001 0.000 0.184 79 N C 1.757 177.267 175.510 -0.001 0.000 1.037 79 N CA 0.697 53.763 53.050 0.026 0.000 0.896 79 N CB -0.077 38.432 38.487 0.037 0.000 0.959 79 N HN 0.649 nan 8.380 nan 0.000 0.442 80 E N -0.352 119.834 120.200 -0.024 0.000 2.110 80 E HA 0.030 4.380 4.350 -0.001 0.000 0.193 80 E C 1.454 177.985 176.600 -0.115 0.000 0.950 80 E CA 0.061 56.436 56.400 -0.042 0.000 0.840 80 E CB 0.258 29.971 29.700 0.021 0.000 0.809 80 E HN -0.029 nan 8.360 nan 0.000 0.465 81 I N 0.983 121.405 120.570 -0.248 0.000 2.193 81 I HA -0.192 3.978 4.170 -0.001 0.000 0.240 81 I C 2.356 178.281 176.117 -0.321 0.000 1.084 81 I CA 1.112 62.226 61.300 -0.311 0.000 1.365 81 I CB -1.628 36.034 38.000 -0.563 0.000 1.064 81 I HN 0.251 nan 8.210 nan 0.000 0.410 82 Y N 3.435 123.399 120.300 -0.561 0.000 2.029 82 Y HA -0.255 4.294 4.550 -0.001 0.000 0.269 82 Y C -0.403 175.241 175.900 -0.427 0.000 1.201 82 Y CA 2.886 60.524 58.100 -0.770 0.000 1.115 82 Y CB -1.988 35.959 38.460 -0.856 0.000 0.945 82 Y HN 0.153 nan 8.280 nan 0.000 0.497 83 P HA -0.160 nan 4.420 nan 0.000 0.218 83 P C 1.026 178.181 177.300 -0.241 0.000 1.149 83 P CA 2.047 64.992 63.100 -0.257 0.000 0.817 83 P CB -0.122 31.523 31.700 -0.091 0.000 0.785 84 K N -0.466 119.812 120.400 -0.204 0.000 2.097 84 K HA -0.067 4.253 4.320 -0.001 0.000 0.206 84 K C 2.285 178.779 176.600 -0.177 0.000 1.049 84 K CA 1.052 57.245 56.287 -0.157 0.000 0.933 84 K CB -0.463 31.960 32.500 -0.127 0.000 0.717 84 K HN 0.200 nan 8.250 nan 0.000 0.442 85 L N 0.302 121.367 121.223 -0.263 0.000 2.049 85 L HA -0.116 4.223 4.340 -0.001 0.000 0.203 85 L C 2.516 179.320 176.870 -0.110 0.000 1.074 85 L CA 0.789 55.495 54.840 -0.223 0.000 0.749 85 L CB -0.271 41.552 42.059 -0.394 0.000 0.907 85 L HN 0.085 nan 8.230 nan 0.000 0.439 86 R N 0.323 120.659 120.500 -0.274 0.000 2.081 86 R HA -0.128 4.212 4.340 -0.001 0.000 0.235 86 R C 1.977 178.190 176.300 -0.145 0.000 1.131 86 R CA 1.064 57.020 56.100 -0.240 0.000 0.960 86 R CB -0.722 29.282 30.300 -0.493 0.000 0.856 86 R HN 0.355 nan 8.270 nan 0.000 0.436 87 E N 0.459 120.568 120.200 -0.152 0.000 2.338 87 E HA -0.076 4.273 4.350 -0.001 0.000 0.197 87 E C 1.603 178.165 176.600 -0.062 0.000 1.007 87 E CA 1.052 57.394 56.400 -0.097 0.000 0.849 87 E CB -0.176 29.469 29.700 -0.092 0.000 0.774 87 E HN 0.285 nan 8.360 nan 0.000 0.506 88 S N -0.962 114.706 115.700 -0.053 0.000 2.575 88 S HA 0.212 4.681 4.470 -0.001 0.000 0.215 88 S C 1.471 176.078 174.600 0.011 0.000 0.966 88 S CA 0.807 58.995 58.200 -0.020 0.000 0.911 88 S CB 0.232 63.420 63.200 -0.020 0.000 0.780 88 S HN 0.281 nan 8.310 nan 0.000 0.514 89 G N 0.135 108.938 108.800 0.005 0.000 2.194 89 G HA2 -0.290 3.669 3.960 -0.001 0.000 0.236 89 G HA3 -0.290 3.669 3.960 -0.001 0.000 0.236 89 G C -0.136 174.790 174.900 0.044 0.000 0.987 89 G CA -0.140 44.965 45.100 0.007 0.000 0.635 89 G HN 0.623 nan 8.290 nan 0.000 0.520 90 W N 2.577 123.812 121.300 -0.108 0.000 2.417 90 W HA 0.490 5.150 4.660 -0.001 0.000 0.332 90 W C 0.951 177.403 176.519 -0.112 0.000 1.413 90 W CA 0.820 58.108 57.345 -0.095 0.000 1.299 90 W CB 0.415 29.819 29.460 -0.093 0.000 1.304 90 W HN 0.267 nan 8.180 nan 0.000 0.565 91 Q N 4.914 124.342 119.800 -0.620 0.000 2.186 91 Q HA 0.211 4.551 4.340 -0.001 0.000 0.241 91 Q C 0.895 176.283 176.000 -1.020 0.000 0.849 91 Q CA -0.200 55.215 55.803 -0.647 0.000 1.053 91 Q CB 0.643 29.152 28.738 -0.381 0.000 1.146 91 Q HN 0.618 nan 8.270 nan 0.000 0.475 92 G N -0.050 107.569 108.800 -1.969 0.000 2.621 92 G HA2 0.193 4.152 3.960 -0.001 0.000 0.271 92 G HA3 0.193 4.152 3.960 -0.001 0.000 0.271 92 G C -0.879 173.399 174.900 -1.037 0.000 1.236 92 G CA -0.311 43.833 45.100 -1.593 0.000 0.958 92 G HN 0.111 nan 8.290 nan 0.000 0.512 93 Y N -0.586 119.591 120.300 -0.204 0.000 2.319 93 Y HA 0.312 4.861 4.550 -0.001 0.000 0.328 93 Y C 0.062 176.228 175.900 0.442 0.000 1.133 93 Y CA -0.642 57.539 58.100 0.136 0.000 1.265 93 Y CB 1.185 39.731 38.460 0.143 0.000 1.218 93 Y HN 0.455 nan 8.280 nan 0.000 0.508 94 W N 7.039 128.627 121.300 0.480 0.000 2.393 94 W HA 0.536 5.195 4.660 -0.001 0.000 0.315 94 W C -1.878 174.842 176.519 0.335 0.000 1.009 94 W CA -1.112 56.507 57.345 0.456 0.000 1.313 94 W CB 0.822 30.616 29.460 0.556 0.000 1.269 94 W HN 0.451 nan 8.180 nan 0.000 0.420 95 I N 6.051 126.635 120.570 0.023 0.000 2.328 95 I HA 0.104 4.274 4.170 -0.001 0.000 0.287 95 I C -0.132 175.866 176.117 -0.199 0.000 1.012 95 I CA 0.032 61.342 61.300 0.017 0.000 1.195 95 I CB 1.096 39.106 38.000 0.017 0.000 1.350 95 I HN 0.197 nan 8.210 nan 0.000 0.464 96 D N 4.129 124.495 120.400 -0.057 0.000 2.342 96 D HA 0.587 5.226 4.640 -0.001 0.000 0.243 96 D C 0.318 176.631 176.300 0.021 0.000 1.019 96 D CA -0.406 53.568 54.000 -0.044 0.000 0.864 96 D CB 2.424 43.326 40.800 0.169 0.000 1.315 96 D HN 0.508 nan 8.370 nan 0.000 0.468 97 A N 1.842 124.668 122.820 0.009 0.000 2.063 97 A HA 0.515 4.835 4.320 -0.001 0.000 0.211 97 A C 0.995 178.597 177.584 0.031 0.000 1.177 97 A CA 0.631 52.675 52.037 0.012 0.000 0.759 97 A CB -0.191 18.803 19.000 -0.011 0.000 0.857 97 A HN 0.574 nan 8.150 nan 0.000 0.468 98 A N 0.560 123.412 122.820 0.053 0.000 2.445 98 A HA 0.421 4.741 4.320 -0.001 0.000 0.242 98 A C 1.547 179.161 177.584 0.050 0.000 1.075 98 A CA 0.423 52.496 52.037 0.061 0.000 0.777 98 A CB 0.144 19.202 19.000 0.097 0.000 1.013 98 A HN 0.965 nan 8.150 nan 0.000 0.493 99 S N 1.388 117.107 115.700 0.032 0.000 2.453 99 S HA -0.121 4.349 4.470 -0.001 0.000 0.231 99 S C 1.743 176.340 174.600 -0.004 0.000 1.005 99 S CA 1.161 59.368 58.200 0.011 0.000 0.949 99 S CB -0.635 62.566 63.200 0.001 0.000 0.774 99 S HN 0.779 nan 8.310 nan 0.000 0.510 100 S N 2.951 118.654 115.700 0.004 0.000 2.406 100 S HA -0.192 4.277 4.470 -0.001 0.000 0.242 100 S C 1.588 176.154 174.600 -0.057 0.000 1.079 100 S CA 2.131 60.320 58.200 -0.018 0.000 1.133 100 S CB -0.770 62.429 63.200 -0.001 0.000 1.005 100 S HN 0.589 nan 8.310 nan 0.000 0.443 101 L N 0.519 121.693 121.223 -0.081 0.000 2.567 101 L HA 0.185 4.524 4.340 -0.001 0.000 0.225 101 L C 2.333 179.153 176.870 -0.083 0.000 1.119 101 L CA 0.020 54.779 54.840 -0.135 0.000 0.871 101 L CB -0.290 41.602 42.059 -0.278 0.000 1.036 101 L HN 0.160 nan 8.230 nan 0.000 0.459 102 R N 0.134 120.606 120.500 -0.046 0.000 2.140 102 R HA -0.202 4.137 4.340 -0.001 0.000 0.250 102 R C 1.536 177.811 176.300 -0.042 0.000 1.150 102 R CA 1.377 57.458 56.100 -0.032 0.000 0.966 102 R CB -0.294 29.993 30.300 -0.021 0.000 0.869 102 R HN 0.274 nan 8.270 nan 0.000 0.445 103 M N 0.701 120.272 119.600 -0.049 0.000 2.494 103 M HA 0.092 4.571 4.480 -0.001 0.000 0.232 103 M C -0.046 176.226 176.300 -0.047 0.000 1.137 103 M CA 0.088 55.359 55.300 -0.047 0.000 1.012 103 M CB -0.043 32.527 32.600 -0.050 0.000 1.567 103 M HN -0.193 nan 8.290 nan 0.000 0.486 104 K N 1.363 121.729 120.400 -0.057 0.000 2.382 104 K HA 0.002 4.322 4.320 -0.001 0.000 0.275 104 K C 0.723 177.295 176.600 -0.047 0.000 1.009 104 K CA 0.063 56.320 56.287 -0.051 0.000 0.970 104 K CB 0.679 33.141 32.500 -0.064 0.000 0.934 104 K HN 0.147 nan 8.250 nan 0.000 0.479 105 D N 1.367 121.746 120.400 -0.035 0.000 2.264 105 D HA -0.139 4.500 4.640 -0.001 0.000 0.208 105 D C 0.526 176.802 176.300 -0.040 0.000 0.966 105 D CA 1.180 55.161 54.000 -0.033 0.000 0.864 105 D CB 0.349 41.134 40.800 -0.024 0.000 0.933 105 D HN 0.545 nan 8.370 nan 0.000 0.499 106 D N -0.243 120.132 120.400 -0.042 0.000 2.427 106 D HA 0.239 4.879 4.640 -0.001 0.000 0.224 106 D C -0.063 176.179 176.300 -0.097 0.000 1.157 106 D CA -0.309 53.660 54.000 -0.053 0.000 0.828 106 D CB 0.117 40.902 40.800 -0.026 0.000 0.974 106 D HN -0.055 nan 8.370 nan 0.000 0.498 107 A N 0.134 122.885 122.820 -0.115 0.000 2.413 107 A HA 0.725 5.045 4.320 -0.001 0.000 0.307 107 A C -0.862 176.619 177.584 -0.172 0.000 1.087 107 A CA -0.808 51.122 52.037 -0.177 0.000 0.750 107 A CB 1.445 20.369 19.000 -0.127 0.000 1.296 107 A HN 0.208 nan 8.150 nan 0.000 0.423 108 I N 1.804 122.227 120.570 -0.246 0.000 2.465 108 I HA 0.325 4.494 4.170 -0.001 0.000 0.291 108 I C -0.777 175.370 176.117 0.051 0.000 1.014 108 I CA -0.530 60.723 61.300 -0.079 0.000 1.093 108 I CB 1.907 39.901 38.000 -0.011 0.000 1.267 108 I HN 0.525 nan 8.210 nan 0.000 0.431 109 I N 6.861 127.467 120.570 0.059 0.000 2.379 109 I HA 0.217 4.387 4.170 -0.001 0.000 0.290 109 I C 0.246 176.428 176.117 0.108 0.000 1.063 109 I CA -0.377 60.965 61.300 0.070 0.000 1.351 109 I CB 0.419 38.435 38.000 0.027 0.000 1.410 109 I HN 0.395 nan 8.210 nan 0.000 0.505 110 I N 5.304 125.958 120.570 0.139 0.000 2.395 110 I HA 0.517 4.687 4.170 -0.001 0.000 0.289 110 I C -0.484 175.673 176.117 0.068 0.000 1.023 110 I CA -0.488 60.885 61.300 0.121 0.000 1.350 110 I CB 1.372 39.448 38.000 0.128 0.000 1.409 110 I HN 0.496 nan 8.210 nan 0.000 0.507 111 L N 7.114 128.366 121.223 0.048 0.000 2.338 111 L HA 0.154 4.493 4.340 -0.001 0.000 0.264 111 L C 0.736 177.613 176.870 0.011 0.000 1.502 111 L CA 0.025 54.882 54.840 0.029 0.000 0.751 111 L CB 0.177 42.231 42.059 -0.007 0.000 0.926 111 L HN 0.841 nan 8.230 nan 0.000 0.528 112 D N 0.432 120.845 120.400 0.021 0.000 2.149 112 D HA -0.208 4.432 4.640 -0.001 0.000 0.194 112 D C -1.187 175.121 176.300 0.014 0.000 1.001 112 D CA 1.598 55.605 54.000 0.013 0.000 0.849 112 D CB -1.020 39.784 40.800 0.007 0.000 0.939 112 D HN 0.387 nan 8.370 nan 0.000 0.449 113 P HA -0.034 nan 4.420 nan 0.000 0.225 113 P C 1.597 178.936 177.300 0.064 0.000 1.148 113 P CA 0.517 63.625 63.100 0.012 0.000 0.779 113 P CB 0.185 31.802 31.700 -0.138 0.000 0.780 114 V N -0.337 119.611 119.914 0.057 0.000 2.911 114 V HA 0.070 4.189 4.120 -0.001 0.000 0.237 114 V C 1.053 177.194 176.094 0.078 0.000 1.156 114 V CA 1.329 63.709 62.300 0.133 0.000 1.180 114 V CB -0.379 31.453 31.823 0.015 0.000 0.932 114 V HN 0.199 nan 8.190 nan 0.000 0.483 115 N N -0.029 118.692 118.700 0.035 0.000 2.541 115 N HA 0.094 4.834 4.740 -0.001 0.000 0.297 115 N C 0.907 176.436 175.510 0.031 0.000 1.503 115 N CA -0.176 52.894 53.050 0.034 0.000 0.919 115 N CB 0.563 39.067 38.487 0.027 0.000 1.305 115 N HN 0.248 nan 8.380 nan 0.000 0.501 116 Q N 1.596 121.409 119.800 0.020 0.000 2.096 116 Q HA -0.215 4.125 4.340 -0.001 0.000 0.204 116 Q C 1.108 177.116 176.000 0.012 0.000 0.982 116 Q CA 2.314 58.121 55.803 0.007 0.000 0.850 116 Q CB -0.187 28.552 28.738 0.001 0.000 0.901 116 Q HN 0.556 nan 8.270 nan 0.000 0.422 117 D N -0.991 119.420 120.400 0.018 0.000 2.178 117 D HA -0.138 4.502 4.640 -0.001 0.000 0.201 117 D C 1.715 178.038 176.300 0.037 0.000 0.980 117 D CA 1.424 55.437 54.000 0.022 0.000 0.842 117 D CB -0.535 40.278 40.800 0.021 0.000 0.948 117 D HN 0.292 nan 8.370 nan 0.000 0.472 118 V N 0.813 120.755 119.914 0.047 0.000 2.548 118 V HA -0.125 3.994 4.120 -0.001 0.000 0.249 118 V C 2.663 178.821 176.094 0.106 0.000 1.055 118 V CA 0.770 63.109 62.300 0.065 0.000 1.065 118 V CB -0.326 31.533 31.823 0.060 0.000 0.681 118 V HN 0.170 nan 8.190 nan 0.000 0.462 119 I N -0.078 120.552 120.570 0.099 0.000 2.193 119 I HA -0.185 3.985 4.170 -0.001 0.000 0.240 119 I C 2.593 178.765 176.117 0.092 0.000 1.084 119 I CA 1.649 63.029 61.300 0.133 0.000 1.365 119 I CB -0.451 37.544 38.000 -0.010 0.000 1.064 119 I HN 0.284 nan 8.210 nan 0.000 0.410 120 T N 0.169 114.741 114.554 0.031 0.000 2.684 120 T HA -0.226 4.124 4.350 -0.001 0.000 0.267 120 T C 1.452 176.187 174.700 0.059 0.000 1.036 120 T CA 1.821 63.934 62.100 0.022 0.000 1.148 120 T CB -0.368 68.504 68.868 0.007 0.000 0.863 120 T HN 0.275 nan 8.240 nan 0.000 0.436 121 D N 0.708 121.146 120.400 0.064 0.000 2.088 121 D HA -0.050 4.590 4.640 -0.001 0.000 0.191 121 D C 2.405 178.760 176.300 0.092 0.000 0.992 121 D CA 1.513 55.552 54.000 0.064 0.000 0.831 121 D CB -0.906 39.926 40.800 0.054 0.000 0.973 121 D HN 0.424 nan 8.370 nan 0.000 0.447 122 G N 0.299 109.174 108.800 0.126 0.000 2.475 122 G HA2 -0.241 3.719 3.960 -0.001 0.000 0.220 122 G HA3 -0.241 3.719 3.960 -0.001 0.000 0.220 122 G C 1.498 176.528 174.900 0.218 0.000 1.125 122 G CA 0.455 45.645 45.100 0.150 0.000 0.755 122 G HN 0.181 nan 8.290 nan 0.000 0.565 123 L N 1.431 122.813 121.223 0.264 0.000 2.046 123 L HA -0.015 4.325 4.340 -0.001 0.000 0.208 123 L C 2.265 179.240 176.870 0.174 0.000 1.077 123 L CA 1.520 56.520 54.840 0.266 0.000 0.747 123 L CB -0.811 41.318 42.059 0.116 0.000 0.896 123 L HN 0.181 nan 8.230 nan 0.000 0.432 124 N N -0.298 118.470 118.700 0.112 0.000 2.331 124 N HA -0.092 4.647 4.740 -0.001 0.000 0.180 124 N C 0.931 176.481 175.510 0.066 0.000 1.019 124 N CA 0.669 53.764 53.050 0.076 0.000 0.881 124 N CB -0.319 38.199 38.487 0.052 0.000 0.972 124 N HN 0.384 nan 8.380 nan 0.000 0.435 125 N N 0.445 119.188 118.700 0.072 0.000 2.362 125 N HA 0.080 4.820 4.740 -0.001 0.000 0.204 125 N C 0.609 176.145 175.510 0.042 0.000 1.166 125 N CA 0.278 53.357 53.050 0.048 0.000 0.831 125 N CB 0.293 38.804 38.487 0.040 0.000 1.008 125 N HN 0.257 nan 8.380 nan 0.000 0.472 126 G N 0.773 109.612 108.800 0.064 0.000 2.212 126 G HA2 -0.222 3.738 3.960 -0.001 0.000 0.255 126 G HA3 -0.222 3.738 3.960 -0.001 0.000 0.255 126 G C -0.245 174.679 174.900 0.040 0.000 1.062 126 G CA -0.420 44.706 45.100 0.044 0.000 0.815 126 G HN 0.202 nan 8.290 nan 0.000 0.497 127 I N 0.546 121.172 120.570 0.093 0.000 2.325 127 I HA 0.358 4.528 4.170 -0.001 0.000 0.291 127 I C 1.079 177.270 176.117 0.124 0.000 1.019 127 I CA -0.405 60.895 61.300 0.001 0.000 1.302 127 I CB 1.294 39.220 38.000 -0.122 0.000 1.401 127 I HN 0.102 nan 8.210 nan 0.000 0.485 128 R N 3.308 123.837 120.500 0.049 0.000 2.509 128 R HA 0.205 4.544 4.340 -0.001 0.000 0.300 128 R C -0.345 176.121 176.300 0.278 0.000 0.985 128 R CA 0.010 56.241 56.100 0.218 0.000 1.092 128 R CB 0.351 30.579 30.300 -0.121 0.000 1.237 128 R HN 0.474 nan 8.270 nan 0.000 0.546 129 T N 1.122 115.646 114.554 -0.049 0.000 2.815 129 T HA 0.541 4.891 4.350 -0.001 0.000 0.289 129 T C -0.754 173.725 174.700 -0.370 0.000 1.000 129 T CA -0.295 61.823 62.100 0.031 0.000 0.958 129 T CB 0.740 69.630 68.868 0.038 0.000 0.944 129 T HN -0.109 nan 8.240 nan 0.000 0.442 130 F N 2.324 122.407 119.950 0.220 0.000 2.507 130 F HA 0.594 5.120 4.527 -0.001 0.000 0.328 130 F C -0.083 175.779 175.800 0.103 0.000 1.136 130 F CA -1.073 57.000 58.000 0.122 0.000 0.930 130 F CB 1.723 40.769 39.000 0.076 0.000 1.166 130 F HN 0.289 nan 8.300 nan 0.000 0.436 131 V N 0.902 120.930 119.914 0.190 0.000 2.715 131 V HA 0.862 4.982 4.120 -0.001 0.000 0.310 131 V C 0.342 176.495 176.094 0.098 0.000 1.054 131 V CA -1.140 61.235 62.300 0.126 0.000 0.928 131 V CB 1.360 33.227 31.823 0.075 0.000 1.007 131 V HN 0.860 nan 8.190 nan 0.000 0.437 132 G N 1.297 110.139 108.800 0.070 0.000 2.503 132 G HA2 0.551 4.511 3.960 -0.001 0.000 0.257 132 G HA3 0.551 4.511 3.960 -0.001 0.000 0.257 132 G C 0.296 175.221 174.900 0.040 0.000 1.214 132 G CA 0.239 45.370 45.100 0.052 0.000 0.839 132 G HN 1.178 nan 8.290 nan 0.000 0.559 133 G N -0.149 108.672 108.800 0.035 0.000 2.583 133 G HA2 0.349 4.309 3.960 -0.001 0.000 0.280 133 G HA3 0.349 4.309 3.960 -0.001 0.000 0.280 133 G C 0.181 175.098 174.900 0.029 0.000 1.376 133 G CA -0.751 44.363 45.100 0.024 0.000 1.043 133 G HN 0.677 nan 8.290 nan 0.000 0.538 134 N N -0.703 118.013 118.700 0.027 0.000 2.356 134 N HA -0.074 4.665 4.740 -0.001 0.000 0.252 134 N C 1.802 177.352 175.510 0.067 0.000 1.241 134 N CA 0.096 53.173 53.050 0.046 0.000 0.861 134 N CB 0.610 39.123 38.487 0.043 0.000 1.075 134 N HN 0.503 nan 8.380 nan 0.000 0.461 135 C N 0.595 119.951 119.300 0.093 0.000 2.422 135 C HA -0.102 4.358 4.460 -0.001 0.000 0.279 135 C C 2.373 177.465 174.990 0.171 0.000 1.305 135 C CA 0.976 60.058 59.018 0.107 0.000 1.757 135 C CB -1.780 26.019 27.740 0.097 0.000 1.962 135 C HN 0.840 nan 8.230 nan 0.000 0.499 136 T N 0.216 114.883 114.554 0.187 0.000 2.814 136 T HA -0.039 4.311 4.350 -0.001 0.000 0.254 136 T C 1.723 176.501 174.700 0.129 0.000 1.037 136 T CA 1.454 63.663 62.100 0.181 0.000 1.143 136 T CB -0.899 68.048 68.868 0.132 0.000 0.866 136 T HN 0.337 nan 8.240 nan 0.000 0.431 137 V N 1.939 121.904 119.914 0.085 0.000 2.324 137 V HA -0.212 3.907 4.120 -0.001 0.000 0.250 137 V C 3.079 179.171 176.094 -0.004 0.000 1.060 137 V CA 2.117 64.436 62.300 0.031 0.000 1.042 137 V CB -1.200 30.622 31.823 -0.003 0.000 0.650 137 V HN 0.520 nan 8.190 nan 0.000 0.450 138 S N -0.129 115.581 115.700 0.017 0.000 2.365 138 S HA -0.190 4.279 4.470 -0.001 0.000 0.221 138 S C 1.886 176.479 174.600 -0.012 0.000 1.037 138 S CA 2.025 60.226 58.200 0.002 0.000 1.060 138 S CB -0.439 62.789 63.200 0.047 0.000 0.974 138 S HN 0.489 nan 8.310 nan 0.000 0.427 139 L N 1.139 122.391 121.223 0.047 0.000 2.042 139 L HA -0.181 4.158 4.340 -0.001 0.000 0.210 139 L C 2.617 179.508 176.870 0.034 0.000 1.076 139 L CA 1.605 56.476 54.840 0.052 0.000 0.749 139 L CB -0.562 41.568 42.059 0.119 0.000 0.893 139 L HN 0.448 nan 8.230 nan 0.000 0.432 140 M N -0.125 119.518 119.600 0.073 0.000 2.086 140 M HA -0.230 4.250 4.480 -0.001 0.000 0.261 140 M C 2.255 178.497 176.300 -0.096 0.000 1.067 140 M CA 1.899 57.228 55.300 0.048 0.000 1.116 140 M CB -0.060 32.616 32.600 0.127 0.000 1.348 140 M HN 0.195 nan 8.290 nan 0.000 0.407 141 L N -0.032 121.103 121.223 -0.146 0.000 2.093 141 L HA -0.204 4.136 4.340 -0.001 0.000 0.208 141 L C 2.683 179.435 176.870 -0.196 0.000 1.085 141 L CA 0.810 55.512 54.840 -0.230 0.000 0.755 141 L CB -0.603 41.292 42.059 -0.273 0.000 0.904 141 L HN 0.409 nan 8.230 nan 0.000 0.435 142 M N -0.859 118.627 119.600 -0.189 0.000 2.202 142 M HA -0.178 4.302 4.480 -0.001 0.000 0.262 142 M C 2.392 178.608 176.300 -0.140 0.000 1.063 142 M CA 1.550 56.706 55.300 -0.240 0.000 1.097 142 M CB -1.000 31.366 32.600 -0.391 0.000 1.382 142 M HN 0.152 nan 8.290 nan 0.000 0.413 143 S N 0.104 115.744 115.700 -0.101 0.000 2.356 143 S HA 0.154 4.623 4.470 -0.001 0.000 0.219 143 S C 1.652 176.199 174.600 -0.088 0.000 1.036 143 S CA 0.539 58.703 58.200 -0.060 0.000 0.965 143 S CB 0.047 63.232 63.200 -0.025 0.000 0.864 143 S HN 0.423 nan 8.310 nan 0.000 0.471 144 L N 1.777 122.933 121.223 -0.112 0.000 2.653 144 L HA 0.237 4.576 4.340 -0.001 0.000 0.232 144 L C 2.177 179.025 176.870 -0.036 0.000 1.169 144 L CA -0.046 54.738 54.840 -0.094 0.000 0.951 144 L CB -0.927 41.068 42.059 -0.106 0.000 1.181 144 L HN 0.344 nan 8.230 nan 0.000 0.460 145 G N 1.217 109.881 108.800 -0.227 0.000 2.529 145 G HA2 -0.299 3.660 3.960 -0.001 0.000 0.219 145 G HA3 -0.299 3.660 3.960 -0.001 0.000 0.219 145 G C 1.569 176.122 174.900 -0.578 0.000 1.177 145 G CA 0.952 45.677 45.100 -0.625 0.000 0.773 145 G HN 0.479 nan 8.290 nan 0.000 0.573 146 G N 0.573 109.148 108.800 -0.375 0.000 2.507 146 G HA2 -0.201 3.759 3.960 -0.001 0.000 0.221 146 G HA3 -0.201 3.759 3.960 -0.001 0.000 0.221 146 G C 1.810 176.668 174.900 -0.069 0.000 1.119 146 G CA 0.946 46.014 45.100 -0.054 0.000 0.751 146 G HN 0.451 nan 8.290 nan 0.000 0.574 147 L N -1.240 119.893 121.223 -0.149 0.000 2.072 147 L HA 0.110 4.450 4.340 -0.001 0.000 0.205 147 L C 2.652 179.355 176.870 -0.280 0.000 1.079 147 L CA 0.621 55.310 54.840 -0.251 0.000 0.752 147 L CB -0.298 41.517 42.059 -0.407 0.000 0.906 147 L HN 0.158 nan 8.230 nan 0.000 0.436 148 F N -0.090 119.767 119.950 -0.154 0.000 2.163 148 F HA -0.080 4.447 4.527 -0.000 0.000 0.297 148 F C 2.557 178.315 175.800 -0.070 0.000 1.094 148 F CA 0.983 58.913 58.000 -0.117 0.000 1.290 148 F CB -0.679 38.241 39.000 -0.133 0.000 1.017 148 F HN -0.034 nan 8.300 nan 0.000 0.483 149 A N -0.525 122.373 122.820 0.130 0.000 2.225 149 A HA -0.127 4.192 4.320 -0.001 0.000 0.215 149 A C 1.470 179.102 177.584 0.080 0.000 1.164 149 A CA 1.346 53.465 52.037 0.136 0.000 0.710 149 A CB -0.762 18.399 19.000 0.268 0.000 0.780 149 A HN 0.491 nan 8.150 nan 0.000 0.473 150 N N -0.510 118.206 118.700 0.027 0.000 2.235 150 N HA 0.046 4.786 4.740 -0.001 0.000 0.231 150 N C -0.813 174.681 175.510 -0.027 0.000 1.177 150 N CA 0.159 53.208 53.050 -0.002 0.000 0.874 150 N CB 0.506 38.979 38.487 -0.022 0.000 1.097 150 N HN 0.242 nan 8.380 nan 0.000 0.518 151 D N 1.032 121.421 120.400 -0.018 0.000 2.686 151 D HA -0.169 4.470 4.640 -0.001 0.000 0.235 151 D C 0.389 176.638 176.300 -0.085 0.000 1.160 151 D CA 0.502 54.483 54.000 -0.032 0.000 0.645 151 D CB -1.037 39.755 40.800 -0.012 0.000 1.039 151 D HN 0.394 nan 8.370 nan 0.000 0.423 152 L N -0.974 120.159 121.223 -0.150 0.000 2.766 152 L HA 0.214 4.554 4.340 -0.001 0.000 0.242 152 L C 0.456 177.157 176.870 -0.282 0.000 1.136 152 L CA -0.149 54.575 54.840 -0.194 0.000 0.933 152 L CB 0.731 42.674 42.059 -0.193 0.000 1.241 152 L HN -0.063 nan 8.230 nan 0.000 0.522 153 V N -0.325 119.390 119.914 -0.332 0.000 2.439 153 V HA 0.117 4.237 4.120 -0.001 0.000 0.282 153 V C 0.323 176.276 176.094 -0.235 0.000 1.039 153 V CA -0.171 61.888 62.300 -0.401 0.000 0.913 153 V CB 1.947 33.364 31.823 -0.678 0.000 0.983 153 V HN 0.051 nan 8.190 nan 0.000 0.460 154 D N 3.175 123.398 120.400 -0.294 0.000 2.369 154 D HA 0.169 4.809 4.640 -0.001 0.000 0.231 154 D C 0.062 176.375 176.300 0.022 0.000 0.967 154 D CA 0.754 54.645 54.000 -0.181 0.000 0.905 154 D CB 0.527 41.124 40.800 -0.339 0.000 1.044 154 D HN 0.664 nan 8.370 nan 0.000 0.487 155 W N -0.951 120.304 121.300 -0.074 0.000 3.059 155 W HA 0.535 5.195 4.660 -0.000 0.000 0.329 155 W C -2.085 174.432 176.519 -0.003 0.000 1.246 155 W CA -0.929 56.409 57.345 -0.012 0.000 1.190 155 W CB 0.396 29.854 29.460 -0.004 0.000 1.423 155 W HN -0.450 nan 8.180 nan 0.000 0.571 156 V N 1.813 122.086 119.914 0.598 0.000 2.588 156 V HA 0.439 4.559 4.120 -0.001 0.000 0.304 156 V C -0.268 176.175 176.094 0.582 0.000 1.042 156 V CA -0.570 62.034 62.300 0.506 0.000 0.877 156 V CB 1.460 33.509 31.823 0.376 0.000 0.996 156 V HN 0.531 nan 8.190 nan 0.000 0.425 157 S N 3.362 119.426 115.700 0.605 0.000 2.437 157 S HA 0.841 5.310 4.470 -0.001 0.000 0.305 157 S C -0.782 174.004 174.600 0.311 0.000 1.109 157 S CA -0.379 58.067 58.200 0.409 0.000 1.099 157 S CB 1.187 64.667 63.200 0.467 0.000 1.004 157 S HN 0.531 nan 8.310 nan 0.000 0.475 158 V N 2.691 122.703 119.914 0.164 0.000 2.925 158 V HA 0.924 5.044 4.120 -0.001 0.000 0.311 158 V C -0.401 175.654 176.094 -0.065 0.000 1.104 158 V CA -0.922 61.375 62.300 -0.004 0.000 0.954 158 V CB 1.850 33.664 31.823 -0.014 0.000 1.022 158 V HN 1.004 nan 8.190 nan 0.000 0.427 159 A N 1.783 124.520 122.820 -0.138 0.000 2.375 159 A HA 0.844 5.164 4.320 -0.001 0.000 0.295 159 A C -0.205 177.283 177.584 -0.159 0.000 1.066 159 A CA -0.298 51.661 52.037 -0.129 0.000 0.722 159 A CB 1.545 20.507 19.000 -0.063 0.000 1.206 159 A HN 1.054 nan 8.150 nan 0.000 0.435 160 T N -0.965 113.459 114.554 -0.217 0.000 2.925 160 T HA 0.687 5.036 4.350 -0.001 0.000 0.285 160 T C -1.001 173.540 174.700 -0.265 0.000 1.021 160 T CA -0.395 61.616 62.100 -0.149 0.000 1.042 160 T CB 0.900 69.674 68.868 -0.156 0.000 1.037 160 T HN 0.407 nan 8.240 nan 0.000 0.481 161 Y N 0.871 121.102 120.300 -0.115 0.000 2.863 161 Y HA 0.405 4.954 4.550 -0.001 0.000 0.348 161 Y C 0.585 176.423 175.900 -0.102 0.000 1.028 161 Y CA -1.068 57.000 58.100 -0.053 0.000 1.213 161 Y CB 0.471 38.960 38.460 0.048 0.000 1.120 161 Y HN 0.628 nan 8.280 nan 0.000 0.598 162 Q N 1.613 121.348 119.800 -0.108 0.000 2.293 162 Q HA 0.672 5.012 4.340 -0.001 0.000 0.251 162 Q C 0.147 176.190 176.000 0.072 0.000 0.930 162 Q CA -0.556 55.070 55.803 -0.295 0.000 0.893 162 Q CB 1.514 29.951 28.738 -0.502 0.000 1.215 162 Q HN 0.737 nan 8.270 nan 0.000 0.425 163 A N 1.358 124.400 122.820 0.370 0.000 2.280 163 A HA 0.514 4.833 4.320 -0.001 0.000 0.268 163 A C 0.757 178.546 177.584 0.343 0.000 1.111 163 A CA 0.317 52.558 52.037 0.339 0.000 0.814 163 A CB 0.244 19.429 19.000 0.309 0.000 1.093 163 A HN 0.905 nan 8.150 nan 0.000 0.498 164 A N -0.183 122.823 122.820 0.310 0.000 2.016 164 A HA 0.062 4.382 4.320 -0.001 0.000 0.217 164 A C 2.255 179.983 177.584 0.240 0.000 1.162 164 A CA 1.745 54.029 52.037 0.413 0.000 0.662 164 A CB -1.056 18.215 19.000 0.450 0.000 0.812 164 A HN 1.631 nan 8.150 nan 0.000 0.450 165 S N -0.165 115.625 115.700 0.151 0.000 2.440 165 S HA -0.043 4.427 4.470 -0.001 0.000 0.238 165 S C 1.869 176.476 174.600 0.013 0.000 1.010 165 S CA 1.327 59.555 58.200 0.047 0.000 0.972 165 S CB -0.944 62.261 63.200 0.008 0.000 0.774 165 S HN 0.634 nan 8.310 nan 0.000 0.501 166 G N 0.836 109.699 108.800 0.104 0.000 2.471 166 G HA2 0.208 4.168 3.960 -0.001 0.000 0.219 166 G HA3 0.208 4.168 3.960 -0.001 0.000 0.219 166 G C 1.227 176.139 174.900 0.021 0.000 1.125 166 G CA 0.516 45.687 45.100 0.118 0.000 0.775 166 G HN 0.648 nan 8.290 nan 0.000 0.548 167 G N -0.580 108.177 108.800 -0.072 0.000 2.486 167 G HA2 0.463 4.423 3.960 -0.001 0.000 0.210 167 G HA3 0.463 4.423 3.960 -0.001 0.000 0.210 167 G C 0.656 175.091 174.900 -0.775 0.000 1.168 167 G CA 0.902 45.699 45.100 -0.505 0.000 0.820 167 G HN 1.180 nan 8.290 nan 0.000 0.544 168 G N -2.255 106.237 108.800 -0.514 0.000 2.352 168 G HA2 0.495 4.455 3.960 -0.001 0.000 0.302 168 G HA3 0.495 4.455 3.960 -0.001 0.000 0.302 168 G C 0.597 175.433 174.900 -0.106 0.000 1.370 168 G CA 0.153 45.078 45.100 -0.293 0.000 0.918 168 G HN 0.842 nan 8.290 nan 0.000 0.610 169 A N -0.138 122.653 122.820 -0.049 0.000 1.940 169 A HA -0.043 4.277 4.320 -0.001 0.000 0.219 169 A C 2.385 179.994 177.584 0.042 0.000 1.176 169 A CA 2.209 54.246 52.037 0.001 0.000 0.631 169 A CB -0.429 18.563 19.000 -0.013 0.000 0.814 169 A HN 0.642 nan 8.150 nan 0.000 0.446 170 R N -1.150 119.387 120.500 0.062 0.000 2.091 170 R HA -0.161 4.179 4.340 -0.001 0.000 0.238 170 R C 2.031 178.385 176.300 0.090 0.000 1.136 170 R CA 1.756 57.905 56.100 0.083 0.000 0.959 170 R CB -0.747 29.611 30.300 0.097 0.000 0.856 170 R HN 0.687 nan 8.270 nan 0.000 0.437 171 H N 0.907 119.874 119.070 -0.171 0.000 2.270 171 H HA -0.034 4.522 4.556 -0.001 0.000 0.299 171 H C 2.238 177.584 175.328 0.029 0.000 1.077 171 H CA 1.764 57.641 56.048 -0.285 0.000 1.294 171 H CB -0.501 29.008 29.762 -0.422 0.000 1.371 171 H HN 0.096 nan 8.280 nan 0.000 0.491 172 M N 0.072 119.796 119.600 0.207 0.000 2.195 172 M HA -0.194 4.286 4.480 -0.001 0.000 0.260 172 M C 2.121 178.505 176.300 0.141 0.000 1.066 172 M CA 1.678 57.085 55.300 0.179 0.000 1.089 172 M CB -0.248 32.421 32.600 0.115 0.000 1.377 172 M HN 0.192 nan 8.290 nan 0.000 0.411 173 R N -0.062 120.500 120.500 0.105 0.000 2.093 173 R HA -0.083 4.256 4.340 -0.001 0.000 0.224 173 R C 2.136 178.493 176.300 0.096 0.000 1.101 173 R CA 1.189 57.338 56.100 0.082 0.000 0.979 173 R CB -0.315 30.018 30.300 0.054 0.000 0.877 173 R HN 0.482 nan 8.270 nan 0.000 0.441 174 E N 1.070 121.327 120.200 0.096 0.000 2.110 174 E HA -0.198 4.152 4.350 -0.001 0.000 0.193 174 E C 1.860 178.566 176.600 0.178 0.000 0.988 174 E CA 0.749 57.213 56.400 0.106 0.000 0.804 174 E CB 0.082 29.804 29.700 0.037 0.000 0.745 174 E HN 0.105 nan 8.360 nan 0.000 0.458 175 L N 0.874 122.243 121.223 0.243 0.000 1.961 175 L HA -0.153 4.187 4.340 -0.001 0.000 0.210 175 L C 2.166 179.119 176.870 0.139 0.000 1.072 175 L CA 1.673 56.638 54.840 0.208 0.000 0.749 175 L CB -0.763 41.434 42.059 0.230 0.000 0.889 175 L HN 0.229 nan 8.230 nan 0.000 0.432 176 L N -0.730 120.569 121.223 0.125 0.000 1.997 176 L HA -0.304 4.036 4.340 -0.001 0.000 0.216 176 L C 2.400 179.334 176.870 0.106 0.000 1.074 176 L CA 2.128 57.026 54.840 0.096 0.000 0.763 176 L CB -1.296 40.809 42.059 0.078 0.000 0.890 176 L HN 0.362 nan 8.230 nan 0.000 0.434 177 T N -1.056 113.571 114.554 0.121 0.000 2.635 177 T HA -0.313 4.036 4.350 -0.001 0.000 0.267 177 T C 1.867 176.718 174.700 0.251 0.000 1.040 177 T CA 1.681 63.876 62.100 0.159 0.000 1.156 177 T CB -0.316 68.651 68.868 0.166 0.000 0.863 177 T HN 0.375 nan 8.240 nan 0.000 0.430 178 Q N 0.238 120.158 119.800 0.201 0.000 2.096 178 Q HA -0.113 4.226 4.340 -0.001 0.000 0.208 178 Q C 2.375 178.489 176.000 0.190 0.000 0.993 178 Q CA 1.577 57.484 55.803 0.174 0.000 0.862 178 Q CB -0.350 28.437 28.738 0.082 0.000 0.915 178 Q HN 0.552 nan 8.270 nan 0.000 0.416 179 M N -0.578 119.108 119.600 0.142 0.000 2.530 179 M HA -0.122 4.357 4.480 -0.001 0.000 0.261 179 M C 1.887 178.279 176.300 0.153 0.000 1.067 179 M CA 1.130 56.507 55.300 0.128 0.000 1.071 179 M CB -0.194 32.461 32.600 0.091 0.000 1.405 179 M HN 0.316 nan 8.290 nan 0.000 0.478 180 G N -1.001 107.894 108.800 0.158 0.000 2.408 180 G HA2 -0.133 3.826 3.960 -0.001 0.000 0.213 180 G HA3 -0.133 3.826 3.960 -0.001 0.000 0.213 180 G C 0.947 175.921 174.900 0.123 0.000 1.177 180 G CA 0.334 45.501 45.100 0.112 0.000 0.802 180 G HN 0.393 nan 8.290 nan 0.000 0.533 181 H N 0.508 119.633 119.070 0.092 0.000 2.321 181 H HA 0.051 4.606 4.556 -0.001 0.000 0.300 181 H C 2.658 178.040 175.328 0.089 0.000 1.087 181 H CA 1.327 57.415 56.048 0.066 0.000 1.319 181 H CB -0.228 29.542 29.762 0.013 0.000 1.379 181 H HN 0.170 nan 8.280 nan 0.000 0.501 182 L N -0.606 120.756 121.223 0.232 0.000 1.990 182 L HA -0.272 4.068 4.340 -0.001 0.000 0.213 182 L C 2.344 179.324 176.870 0.183 0.000 1.072 182 L CA 1.975 56.924 54.840 0.182 0.000 0.755 182 L CB -0.748 41.398 42.059 0.146 0.000 0.889 182 L HN 0.348 nan 8.230 nan 0.000 0.432 183 Y N 0.953 121.307 120.300 0.090 0.000 2.089 183 Y HA -0.189 4.360 4.550 -0.001 0.000 0.282 183 Y C 2.384 178.324 175.900 0.066 0.000 1.139 183 Y CA 1.630 59.769 58.100 0.064 0.000 1.123 183 Y CB -0.847 37.638 38.460 0.042 0.000 0.980 183 Y HN 0.073 nan 8.280 nan 0.000 0.493 184 G N -0.598 108.290 108.800 0.147 0.000 2.586 184 G HA2 -0.452 3.508 3.960 -0.001 0.000 0.218 184 G HA3 -0.452 3.508 3.960 -0.001 0.000 0.218 184 G C 1.453 176.327 174.900 -0.044 0.000 1.216 184 G CA 1.619 46.737 45.100 0.031 0.000 0.786 184 G HN 0.615 nan 8.290 nan 0.000 0.583 185 H N 0.711 119.747 119.070 -0.057 0.000 2.337 185 H HA -0.180 4.375 4.556 -0.001 0.000 0.288 185 H C 2.152 177.423 175.328 -0.096 0.000 1.117 185 H CA 2.226 58.246 56.048 -0.047 0.000 1.205 185 H CB -0.395 29.366 29.762 -0.003 0.000 1.353 185 H HN 0.434 nan 8.280 nan 0.000 0.480 186 V N -2.578 117.231 119.914 -0.175 0.000 2.940 186 V HA 0.639 4.759 4.120 -0.001 0.000 0.366 186 V C 1.719 177.616 176.094 -0.328 0.000 1.353 186 V CA 0.395 62.543 62.300 -0.254 0.000 1.232 186 V CB -0.187 31.524 31.823 -0.188 0.000 1.278 186 V HN 0.494 nan 8.190 nan 0.000 0.546 187 A N 0.713 123.274 122.820 -0.431 0.000 1.877 187 A HA -0.125 4.195 4.320 -0.001 0.000 0.216 187 A C 1.833 179.263 177.584 -0.257 0.000 1.186 187 A CA 2.285 53.973 52.037 -0.581 0.000 0.620 187 A CB -0.520 18.195 19.000 -0.475 0.000 0.822 187 A HN 0.560 nan 8.150 nan 0.000 0.443 188 D N -0.232 120.070 120.400 -0.164 0.000 2.084 188 D HA -0.113 4.526 4.640 -0.001 0.000 0.194 188 D C 1.929 178.175 176.300 -0.090 0.000 0.990 188 D CA 1.649 55.593 54.000 -0.094 0.000 0.826 188 D CB -0.522 40.233 40.800 -0.076 0.000 0.971 188 D HN 0.527 nan 8.370 nan 0.000 0.453 189 E N 0.459 120.592 120.200 -0.112 0.000 2.070 189 E HA -0.150 4.199 4.350 -0.001 0.000 0.197 189 E C 2.206 178.762 176.600 -0.074 0.000 1.004 189 E CA 0.562 56.907 56.400 -0.091 0.000 0.805 189 E CB -0.379 29.256 29.700 -0.109 0.000 0.744 189 E HN 0.233 nan 8.360 nan 0.000 0.451 190 L N -0.127 121.037 121.223 -0.097 0.000 2.353 190 L HA -0.157 4.182 4.340 -0.001 0.000 0.220 190 L C 2.104 178.963 176.870 -0.019 0.000 1.133 190 L CA 0.824 55.631 54.840 -0.056 0.000 0.798 190 L CB -0.227 41.786 42.059 -0.077 0.000 0.922 190 L HN 0.178 nan 8.230 nan 0.000 0.445 191 A N -1.263 121.540 122.820 -0.028 0.000 1.975 191 A HA 0.006 4.326 4.320 -0.001 0.000 0.215 191 A C 1.188 178.769 177.584 -0.004 0.000 1.170 191 A CA 0.665 52.701 52.037 -0.001 0.000 0.656 191 A CB -0.398 18.600 19.000 -0.003 0.000 0.821 191 A HN 0.314 nan 8.150 nan 0.000 0.449 192 T N 1.725 116.270 114.554 -0.016 0.000 2.779 192 T HA 0.351 4.700 4.350 -0.001 0.000 0.296 192 T C -1.935 172.760 174.700 -0.009 0.000 0.938 192 T CA -0.965 61.127 62.100 -0.013 0.000 1.119 192 T CB 1.216 70.072 68.868 -0.020 0.000 0.891 192 T HN 0.129 nan 8.240 nan 0.000 0.526 193 P HA -0.029 nan 4.420 nan 0.000 0.221 193 P C 0.923 178.220 177.300 -0.005 0.000 1.150 193 P CA 0.512 63.611 63.100 -0.001 0.000 0.800 193 P CB 0.071 31.772 31.700 0.001 0.000 0.787 194 S N -1.107 114.589 115.700 -0.007 0.000 3.149 194 S HA 0.317 4.786 4.470 -0.001 0.000 0.228 194 S C 0.297 174.889 174.600 -0.013 0.000 1.393 194 S CA -0.601 57.594 58.200 -0.009 0.000 1.224 194 S CB -1.263 61.932 63.200 -0.008 0.000 1.112 194 S HN 0.069 nan 8.310 nan 0.000 0.502 195 S N 0.587 116.278 115.700 -0.015 0.000 2.537 195 S HA 0.809 5.278 4.470 -0.001 0.000 0.301 195 S C -0.115 174.474 174.600 -0.018 0.000 1.092 195 S CA -0.909 57.278 58.200 -0.021 0.000 1.048 195 S CB 1.511 64.694 63.200 -0.029 0.000 1.053 195 S HN 0.687 nan 8.310 nan 0.000 0.501 196 A N 2.461 125.269 122.820 -0.020 0.000 2.376 196 A HA 0.411 4.731 4.320 -0.001 0.000 0.298 196 A C 0.977 178.551 177.584 -0.017 0.000 1.271 196 A CA -0.700 51.327 52.037 -0.016 0.000 0.926 196 A CB -0.762 18.229 19.000 -0.016 0.000 1.141 196 A HN 1.035 nan 8.150 nan 0.000 0.539 197 I N 2.799 123.362 120.570 -0.012 0.000 2.300 197 I HA -0.291 3.879 4.170 -0.001 0.000 0.252 197 I C 1.791 177.901 176.117 -0.010 0.000 1.119 197 I CA 1.747 63.041 61.300 -0.010 0.000 1.384 197 I CB 0.047 38.045 38.000 -0.004 0.000 1.062 197 I HN 0.742 nan 8.210 nan 0.000 0.426 198 L N -0.417 120.800 121.223 -0.009 0.000 2.376 198 L HA -0.114 4.225 4.340 -0.001 0.000 0.219 198 L C 1.799 178.662 176.870 -0.012 0.000 1.133 198 L CA 0.647 55.483 54.840 -0.008 0.000 0.816 198 L CB -0.698 41.357 42.059 -0.006 0.000 0.933 198 L HN 0.227 nan 8.230 nan 0.000 0.449 199 D N 0.159 120.547 120.400 -0.019 0.000 2.183 199 D HA -0.027 4.613 4.640 -0.001 0.000 0.205 199 D C 2.329 178.605 176.300 -0.039 0.000 0.962 199 D CA 0.871 54.854 54.000 -0.028 0.000 0.849 199 D CB 0.256 41.036 40.800 -0.033 0.000 0.978 199 D HN 0.213 nan 8.370 nan 0.000 0.488 200 I N 1.148 121.694 120.570 -0.039 0.000 2.142 200 I HA -0.196 3.973 4.170 -0.001 0.000 0.240 200 I C 2.385 178.487 176.117 -0.025 0.000 1.078 200 I CA 1.033 62.303 61.300 -0.049 0.000 1.343 200 I CB -0.112 37.864 38.000 -0.040 0.000 1.046 200 I HN -0.005 nan 8.210 nan 0.000 0.405 201 E N 1.475 121.670 120.200 -0.008 0.000 2.268 201 E HA -0.240 4.110 4.350 -0.001 0.000 0.195 201 E C 2.172 178.780 176.600 0.014 0.000 0.995 201 E CA 1.051 57.455 56.400 0.008 0.000 0.836 201 E CB -0.024 29.680 29.700 0.007 0.000 0.763 201 E HN 0.375 nan 8.360 nan 0.000 0.491 202 R N 0.352 120.854 120.500 0.004 0.000 2.070 202 R HA -0.093 4.247 4.340 -0.001 0.000 0.233 202 R C 2.530 178.848 176.300 0.031 0.000 1.137 202 R CA 1.575 57.681 56.100 0.010 0.000 0.945 202 R CB 0.047 30.346 30.300 -0.001 0.000 0.845 202 R HN 0.010 nan 8.270 nan 0.000 0.430 203 K N 0.094 120.504 120.400 0.017 0.000 2.001 203 K HA -0.158 4.161 4.320 -0.001 0.000 0.214 203 K C 2.120 178.847 176.600 0.212 0.000 1.050 203 K CA 1.722 58.048 56.287 0.064 0.000 0.934 203 K CB -0.757 31.636 32.500 -0.178 0.000 0.718 203 K HN 0.088 nan 8.250 nan 0.000 0.443 204 V N 1.813 121.826 119.914 0.164 0.000 2.278 204 V HA -0.291 3.829 4.120 -0.001 0.000 0.251 204 V C 2.432 178.583 176.094 0.095 0.000 1.062 204 V CA 2.459 64.859 62.300 0.166 0.000 1.038 204 V CB -1.006 30.872 31.823 0.092 0.000 0.646 204 V HN 0.440 nan 8.190 nan 0.000 0.447 205 T N -0.096 114.496 114.554 0.063 0.000 2.788 205 T HA -0.177 4.172 4.350 -0.001 0.000 0.268 205 T C 1.982 176.700 174.700 0.030 0.000 1.044 205 T CA 2.026 64.147 62.100 0.034 0.000 1.139 205 T CB -0.433 68.449 68.868 0.023 0.000 0.867 205 T HN 0.831 nan 8.240 nan 0.000 0.454 206 T N 1.100 115.684 114.554 0.051 0.000 2.812 206 T HA 0.016 4.365 4.350 -0.001 0.000 0.264 206 T C 1.984 176.691 174.700 0.012 0.000 1.042 206 T CA 0.715 62.838 62.100 0.039 0.000 1.140 206 T CB -0.615 68.290 68.868 0.061 0.000 0.870 206 T HN 0.187 nan 8.240 nan 0.000 0.445 207 L N 2.129 123.355 121.223 0.006 0.000 2.042 207 L HA 0.004 4.343 4.340 -0.001 0.000 0.210 207 L C 2.406 179.222 176.870 -0.090 0.000 1.076 207 L CA 2.119 56.879 54.840 -0.135 0.000 0.749 207 L CB -1.556 40.281 42.059 -0.370 0.000 0.893 207 L HN 0.282 nan 8.230 nan 0.000 0.432 208 T N -0.378 114.150 114.554 -0.043 0.000 2.946 208 T HA -0.142 4.208 4.350 -0.001 0.000 0.271 208 T C 1.725 176.400 174.700 -0.042 0.000 1.104 208 T CA 1.456 63.532 62.100 -0.040 0.000 1.114 208 T CB -0.239 68.619 68.868 -0.016 0.000 0.867 208 T HN 0.409 nan 8.240 nan 0.000 0.513 209 R N 0.200 120.679 120.500 -0.035 0.000 2.476 209 R HA 0.163 4.502 4.340 -0.001 0.000 0.276 209 R C 2.323 178.602 176.300 -0.035 0.000 0.941 209 R CA 0.299 56.380 56.100 -0.031 0.000 1.088 209 R CB 0.382 30.670 30.300 -0.020 0.000 1.216 209 R HN 0.355 nan 8.270 nan 0.000 0.533 210 S N -0.615 115.058 115.700 -0.046 0.000 2.453 210 S HA 0.028 4.497 4.470 -0.001 0.000 0.231 210 S C 1.629 176.201 174.600 -0.047 0.000 1.005 210 S CA 0.804 58.977 58.200 -0.045 0.000 0.949 210 S CB 0.235 63.399 63.200 -0.061 0.000 0.774 210 S HN 0.432 nan 8.310 nan 0.000 0.510 211 G N 1.219 109.984 108.800 -0.058 0.000 2.176 211 G HA2 -0.274 3.686 3.960 -0.001 0.000 0.253 211 G HA3 -0.274 3.686 3.960 -0.001 0.000 0.253 211 G C 0.588 175.446 174.900 -0.070 0.000 0.979 211 G CA 0.373 45.439 45.100 -0.057 0.000 0.641 211 G HN 0.571 nan 8.290 nan 0.000 0.530 212 E N -0.313 119.837 120.200 -0.083 0.000 2.347 212 E HA 0.145 4.495 4.350 -0.001 0.000 0.196 212 E C 1.175 177.671 176.600 -0.173 0.000 1.008 212 E CA 0.086 56.433 56.400 -0.088 0.000 0.852 212 E CB 0.197 29.855 29.700 -0.070 0.000 0.783 212 E HN 0.517 nan 8.360 nan 0.000 0.505 213 L N 3.316 124.410 121.223 -0.214 0.000 2.380 213 L HA 0.158 4.498 4.340 -0.001 0.000 0.273 213 L C -2.031 174.703 176.870 -0.226 0.000 1.138 213 L CA -1.781 52.857 54.840 -0.336 0.000 0.832 213 L CB 0.354 42.278 42.059 -0.224 0.000 1.124 213 L HN -0.149 nan 8.230 nan 0.000 0.454 214 P HA 0.074 nan 4.420 nan 0.000 0.284 214 P C -0.136 177.130 177.300 -0.056 0.000 1.343 214 P CA -0.128 62.909 63.100 -0.105 0.000 0.826 214 P CB 0.906 32.569 31.700 -0.061 0.000 0.956 215 V N -0.194 119.698 119.914 -0.038 0.000 2.854 215 V HA 0.216 4.336 4.120 -0.001 0.000 0.366 215 V C 0.893 176.975 176.094 -0.019 0.000 1.322 215 V CA -0.262 62.038 62.300 0.001 0.000 1.243 215 V CB -0.014 31.815 31.823 0.010 0.000 1.337 215 V HN 0.180 nan 8.190 nan 0.000 0.585 216 D N 1.980 122.351 120.400 -0.048 0.000 2.087 216 D HA -0.180 4.460 4.640 -0.001 0.000 0.192 216 D C 1.616 177.849 176.300 -0.111 0.000 0.993 216 D CA 2.072 56.035 54.000 -0.062 0.000 0.828 216 D CB 0.133 40.900 40.800 -0.056 0.000 0.968 216 D HN 0.563 nan 8.370 nan 0.000 0.448 217 N N 0.254 118.815 118.700 -0.231 0.000 2.106 217 N HA -0.107 4.632 4.740 -0.001 0.000 0.188 217 N C 1.859 177.058 175.510 -0.518 0.000 1.029 217 N CA 0.735 53.498 53.050 -0.479 0.000 0.848 217 N CB -0.488 37.433 38.487 -0.945 0.000 1.007 217 N HN 0.158 nan 8.380 nan 0.000 0.423 218 F N 0.399 120.185 119.950 -0.272 0.000 2.512 218 F HA 0.168 4.695 4.527 -0.001 0.000 0.296 218 F C 2.166 177.923 175.800 -0.071 0.000 1.110 218 F CA 0.645 58.555 58.000 -0.150 0.000 1.446 218 F CB -0.446 38.487 39.000 -0.113 0.000 1.092 218 F HN 0.217 nan 8.300 nan 0.000 0.554 219 G N -0.143 108.709 108.800 0.087 0.000 2.640 219 G HA2 -0.279 3.680 3.960 -0.001 0.000 0.226 219 G HA3 -0.279 3.680 3.960 -0.001 0.000 0.226 219 G C 0.244 175.161 174.900 0.029 0.000 1.222 219 G CA 0.331 45.456 45.100 0.040 0.000 0.729 219 G HN 0.622 nan 8.290 nan 0.000 0.516 220 V N -2.427 117.519 119.914 0.052 0.000 3.040 220 V HA 0.864 4.984 4.120 -0.001 0.000 0.312 220 V C -2.649 173.446 176.094 0.001 0.000 1.115 220 V CA -2.502 59.802 62.300 0.006 0.000 0.998 220 V CB 1.808 33.619 31.823 -0.020 0.000 1.042 220 V HN 0.164 nan 8.190 nan 0.000 0.433 221 P HA 0.264 nan 4.420 nan 0.000 0.269 221 P C -0.020 177.214 177.300 -0.110 0.000 1.209 221 P CA 0.051 63.121 63.100 -0.049 0.000 0.776 221 P CB 0.906 32.576 31.700 -0.049 0.000 0.876 222 L N 2.640 123.772 121.223 -0.150 0.000 2.694 222 L HA 0.435 4.774 4.340 -0.001 0.000 0.228 222 L C 0.654 177.448 176.870 -0.127 0.000 1.048 222 L CA 0.576 55.266 54.840 -0.250 0.000 0.887 222 L CB -0.616 41.096 42.059 -0.578 0.000 1.265 222 L HN 0.293 nan 8.230 nan 0.000 0.492 223 A N 0.284 123.069 122.820 -0.059 0.000 2.515 223 A HA 0.448 4.768 4.320 -0.001 0.000 0.263 223 A C 1.295 178.878 177.584 -0.001 0.000 1.096 223 A CA 0.477 52.511 52.037 -0.006 0.000 0.769 223 A CB -1.274 17.748 19.000 0.037 0.000 1.040 223 A HN 1.171 nan 8.150 nan 0.000 0.505 224 G N 1.014 109.817 108.800 0.005 0.000 2.137 224 G HA2 -0.019 3.940 3.960 -0.001 0.000 0.237 224 G HA3 -0.019 3.940 3.960 -0.001 0.000 0.237 224 G C 0.256 175.152 174.900 -0.007 0.000 1.002 224 G CA 0.862 45.969 45.100 0.011 0.000 0.702 224 G HN 1.923 nan 8.290 nan 0.000 0.515 225 S N -1.867 113.817 115.700 -0.027 0.000 2.873 225 S HA 0.920 5.389 4.470 -0.001 0.000 0.303 225 S C -1.246 173.318 174.600 -0.059 0.000 1.222 225 S CA 0.371 58.547 58.200 -0.040 0.000 0.923 225 S CB 1.014 64.182 63.200 -0.053 0.000 1.286 225 S HN 1.834 nan 8.310 nan 0.000 0.571 226 L N -0.710 120.469 121.223 -0.073 0.000 2.892 226 L HA 0.777 5.117 4.340 -0.001 0.000 0.269 226 L C -1.718 175.100 176.870 -0.087 0.000 1.058 226 L CA -0.808 53.978 54.840 -0.090 0.000 0.923 226 L CB 1.210 43.228 42.059 -0.068 0.000 1.518 226 L HN 0.625 nan 8.230 nan 0.000 0.402 227 I N 0.774 121.295 120.570 -0.082 0.000 2.503 227 I HA 0.382 4.552 4.170 -0.001 0.000 0.282 227 I C -2.327 173.795 176.117 0.008 0.000 1.059 227 I CA -1.180 60.102 61.300 -0.030 0.000 1.081 227 I CB 2.435 40.424 38.000 -0.019 0.000 1.210 227 I HN 0.494 nan 8.210 nan 0.000 0.450 228 P HA 0.022 nan 4.420 nan 0.000 0.225 228 P C -0.881 176.514 177.300 0.158 0.000 1.768 228 P CA 0.351 63.468 63.100 0.029 0.000 0.943 228 P CB -0.260 31.450 31.700 0.016 0.000 1.936 229 W N 2.535 123.771 121.300 -0.106 0.000 3.953 229 W HA 0.261 4.920 4.660 -0.001 0.000 0.286 229 W C -2.137 174.344 176.519 -0.065 0.000 1.256 229 W CA -0.518 56.757 57.345 -0.116 0.000 1.244 229 W CB 1.514 30.912 29.460 -0.105 0.000 1.262 229 W HN -0.229 nan 8.180 nan 0.000 0.522 230 I N 4.752 125.166 120.570 -0.260 0.000 2.433 230 I HA 0.183 4.353 4.170 -0.001 0.000 0.292 230 I C 0.370 176.489 176.117 0.003 0.000 1.001 230 I CA -0.384 60.893 61.300 -0.038 0.000 1.119 230 I CB 1.478 39.442 38.000 -0.061 0.000 1.289 230 I HN 0.273 nan 8.210 nan 0.000 0.438 244 K N 0.887 121.394 120.400 0.179 0.000 2.228 244 K HA 0.322 4.642 4.320 -0.001 0.000 0.202 244 K C 1.338 177.986 176.600 0.080 0.000 1.051 244 K CA 1.488 57.843 56.287 0.112 0.000 0.960 244 K CB -0.316 32.245 32.500 0.102 0.000 0.743 244 K HN 0.181 nan 8.250 nan 0.000 0.458 245 G N 0.659 109.487 108.800 0.046 0.000 2.226 245 G HA2 -0.251 3.708 3.960 -0.001 0.000 0.176 245 G HA3 -0.251 3.708 3.960 -0.001 0.000 0.176 245 G C 0.537 175.443 174.900 0.010 0.000 1.042 245 G CA 0.338 45.447 45.100 0.016 0.000 0.732 245 G HN 0.314 nan 8.290 nan 0.000 0.494 246 Q N -0.189 119.620 119.800 0.016 0.000 2.050 246 Q HA 0.087 4.427 4.340 -0.001 0.000 0.202 246 Q C 2.901 178.899 176.000 -0.002 0.000 0.980 246 Q CA 2.552 58.367 55.803 0.021 0.000 0.840 246 Q CB -0.218 28.538 28.738 0.030 0.000 0.898 246 Q HN 1.078 nan 8.270 nan 0.000 0.424 247 A N 1.092 123.901 122.820 -0.019 0.000 1.851 247 A HA -0.260 4.059 4.320 -0.001 0.000 0.216 247 A C 1.848 179.413 177.584 -0.030 0.000 1.195 247 A CA 1.841 53.862 52.037 -0.027 0.000 0.622 247 A CB -0.794 18.180 19.000 -0.042 0.000 0.831 247 A HN 0.559 nan 8.150 nan 0.000 0.444 248 E N -0.809 119.370 120.200 -0.035 0.000 2.097 248 E HA -0.173 4.177 4.350 -0.001 0.000 0.196 248 E C 2.114 178.683 176.600 -0.051 0.000 1.000 248 E CA 1.690 58.068 56.400 -0.036 0.000 0.804 248 E CB -0.537 29.146 29.700 -0.029 0.000 0.740 248 E HN 0.627 nan 8.360 nan 0.000 0.454 249 T N 1.515 116.032 114.554 -0.062 0.000 2.684 249 T HA -0.130 4.220 4.350 -0.001 0.000 0.267 249 T C 1.655 176.286 174.700 -0.115 0.000 1.036 249 T CA 1.156 63.184 62.100 -0.120 0.000 1.148 249 T CB -0.224 68.572 68.868 -0.119 0.000 0.863 249 T HN 0.153 nan 8.240 nan 0.000 0.436 250 N N 0.680 119.345 118.700 -0.057 0.000 2.244 250 N HA -0.059 4.681 4.740 -0.001 0.000 0.183 250 N C 1.922 177.415 175.510 -0.028 0.000 1.016 250 N CA 0.893 53.924 53.050 -0.031 0.000 0.866 250 N CB -0.105 38.381 38.487 -0.002 0.000 0.980 250 N HN 0.449 nan 8.380 nan 0.000 0.430 251 K N 1.304 121.686 120.400 -0.030 0.000 2.062 251 K HA 0.056 4.375 4.320 -0.001 0.000 0.205 251 K C 2.054 178.641 176.600 -0.020 0.000 1.051 251 K CA 0.602 56.876 56.287 -0.021 0.000 0.941 251 K CB -0.021 32.466 32.500 -0.021 0.000 0.719 251 K HN 0.005 nan 8.250 nan 0.000 0.440 252 I N 1.170 121.718 120.570 -0.036 0.000 2.264 252 I HA -0.263 3.907 4.170 -0.001 0.000 0.248 252 I C 1.730 177.825 176.117 -0.037 0.000 1.111 252 I CA 1.188 62.467 61.300 -0.035 0.000 1.382 252 I CB -0.077 37.884 38.000 -0.065 0.000 1.060 252 I HN 0.205 nan 8.210 nan 0.000 0.418 253 L N -0.061 121.126 121.223 -0.059 0.000 2.567 253 L HA 0.087 4.427 4.340 -0.001 0.000 0.225 253 L C 0.569 177.437 176.870 -0.004 0.000 1.119 253 L CA -0.062 54.753 54.840 -0.041 0.000 0.871 253 L CB -0.484 41.530 42.059 -0.074 0.000 1.036 253 L HN 0.305 nan 8.230 nan 0.000 0.459 254 N N 1.785 120.483 118.700 -0.003 0.000 2.686 254 N HA -0.154 4.586 4.740 -0.001 0.000 0.261 254 N C 0.102 175.621 175.510 0.015 0.000 1.001 254 N CA 0.917 53.972 53.050 0.008 0.000 0.764 254 N CB -0.748 37.749 38.487 0.016 0.000 0.898 254 N HN 0.479 nan 8.380 nan 0.000 0.544 255 T N -2.717 111.846 114.554 0.015 0.000 2.898 255 T HA 0.352 4.702 4.350 -0.001 0.000 0.301 255 T C 1.534 176.249 174.700 0.024 0.000 1.049 255 T CA -0.044 62.072 62.100 0.028 0.000 1.095 255 T CB 1.227 70.118 68.868 0.038 0.000 0.976 255 T HN 0.309 nan 8.240 nan 0.000 0.539 256 S N 0.491 116.208 115.700 0.027 0.000 2.528 256 S HA 0.231 4.700 4.470 -0.001 0.000 0.219 256 S C 0.456 175.070 174.600 0.023 0.000 0.985 256 S CA -0.603 57.610 58.200 0.022 0.000 0.914 256 S CB -0.014 63.198 63.200 0.020 0.000 0.776 256 S HN 0.706 nan 8.310 nan 0.000 0.526 257 S N 0.993 116.711 115.700 0.030 0.000 2.548 257 S HA 0.479 4.949 4.470 -0.001 0.000 0.276 257 S C -0.668 173.958 174.600 0.044 0.000 1.129 257 S CA -0.834 57.386 58.200 0.034 0.000 0.931 257 S CB 1.994 65.214 63.200 0.034 0.000 1.068 257 S HN 0.114 nan 8.310 nan 0.000 0.480 258 V N 3.380 123.319 119.914 0.042 0.000 2.434 258 V HA 0.096 4.215 4.120 -0.001 0.000 0.281 258 V C -0.052 176.088 176.094 0.077 0.000 1.005 258 V CA 0.352 62.682 62.300 0.050 0.000 1.089 258 V CB -0.559 31.288 31.823 0.039 0.000 0.978 258 V HN 0.723 nan 8.190 nan 0.000 0.474 259 I N 8.556 129.185 120.570 0.098 0.000 2.291 259 I HA 0.274 4.443 4.170 -0.001 0.000 0.290 259 I C -2.086 174.130 176.117 0.166 0.000 1.050 259 I CA -1.949 59.440 61.300 0.147 0.000 1.245 259 I CB 1.433 39.548 38.000 0.192 0.000 1.405 259 I HN 0.430 nan 8.210 nan 0.000 0.478 260 P HA -0.017 nan 4.420 nan 0.000 0.262 260 P C -0.781 176.645 177.300 0.209 0.000 1.182 260 P CA 0.187 63.379 63.100 0.153 0.000 0.761 260 P CB 0.501 32.268 31.700 0.112 0.000 0.795 261 V N 4.243 124.248 119.914 0.152 0.000 2.445 261 V HA 0.363 4.483 4.120 -0.001 0.000 0.283 261 V C -0.355 175.816 176.094 0.127 0.000 1.014 261 V CA -0.159 62.249 62.300 0.179 0.000 0.852 261 V CB 1.536 33.453 31.823 0.157 0.000 1.021 261 V HN 0.480 nan 8.190 nan 0.000 0.435 262 D N 1.848 122.321 120.400 0.122 0.000 2.592 262 D HA 0.907 5.546 4.640 -0.001 0.000 0.263 262 D C 0.264 176.605 176.300 0.067 0.000 1.132 262 D CA 0.781 54.822 54.000 0.069 0.000 0.996 262 D CB 2.819 43.626 40.800 0.011 0.000 1.442 262 D HN 0.713 nan 8.370 nan 0.000 0.486 263 G N -0.656 108.159 108.800 0.026 0.000 2.534 263 G HA2 0.303 4.262 3.960 -0.001 0.000 0.142 263 G HA3 0.303 4.262 3.960 -0.001 0.000 0.142 263 G C -1.916 172.958 174.900 -0.043 0.000 1.178 263 G CA -0.537 44.565 45.100 0.003 0.000 1.037 263 G HN 0.467 nan 8.290 nan 0.000 0.474 264 L N -0.097 121.085 121.223 -0.069 0.000 2.464 264 L HA 0.587 4.927 4.340 -0.001 0.000 0.266 264 L C -0.716 176.068 176.870 -0.144 0.000 0.965 264 L CA -0.817 53.952 54.840 -0.118 0.000 0.833 264 L CB 2.416 44.407 42.059 -0.112 0.000 1.296 264 L HN 0.660 nan 8.230 nan 0.000 0.405 265 C N 2.828 122.025 119.300 -0.172 0.000 2.295 265 C HA 0.772 5.231 4.460 -0.001 0.000 0.331 265 C C 0.228 175.110 174.990 -0.180 0.000 1.280 265 C CA -0.750 58.166 59.018 -0.170 0.000 1.746 265 C CB 0.974 28.628 27.740 -0.142 0.000 2.328 265 C HN 0.474 nan 8.230 nan 0.000 0.521 266 V N 3.425 123.223 119.914 -0.194 0.000 2.656 266 V HA 0.531 4.651 4.120 -0.001 0.000 0.307 266 V C -0.139 175.872 176.094 -0.139 0.000 1.051 266 V CA -0.763 61.434 62.300 -0.172 0.000 0.893 266 V CB 1.876 33.553 31.823 -0.243 0.000 0.999 266 V HN 0.824 nan 8.190 nan 0.000 0.426 267 R N 2.728 123.177 120.500 -0.084 0.000 2.221 267 R HA 0.670 5.010 4.340 -0.001 0.000 0.327 267 R C -0.579 175.670 176.300 -0.085 0.000 1.033 267 R CA -0.238 55.826 56.100 -0.059 0.000 0.887 267 R CB 1.207 31.489 30.300 -0.030 0.000 1.057 267 R HN 0.762 nan 8.270 nan 0.000 0.455 268 V N 1.226 121.120 119.914 -0.032 0.000 3.103 268 V HA 0.699 4.818 4.120 -0.001 0.000 0.318 268 V C 0.586 176.681 176.094 0.002 0.000 1.114 268 V CA -0.752 61.546 62.300 -0.003 0.000 1.020 268 V CB 1.843 33.724 31.823 0.098 0.000 1.085 268 V HN 0.778 nan 8.190 nan 0.000 0.446 269 G N 0.781 109.585 108.800 0.007 0.000 3.284 269 G HA2 0.551 4.510 3.960 -0.001 0.000 0.251 269 G HA3 0.551 4.510 3.960 -0.001 0.000 0.251 269 G C 0.120 175.063 174.900 0.072 0.000 0.913 269 G CA 0.471 45.584 45.100 0.021 0.000 1.947 269 G HN 1.449 nan 8.290 nan 0.000 0.635 270 A N 0.439 123.321 122.820 0.104 0.000 2.350 270 A HA 0.774 5.093 4.320 -0.001 0.000 0.318 270 A C 0.872 178.540 177.584 0.140 0.000 1.132 270 A CA -0.720 51.391 52.037 0.122 0.000 0.811 270 A CB 1.289 20.376 19.000 0.146 0.000 1.313 270 A HN 0.260 nan 8.150 nan 0.000 0.454 271 L N -0.631 120.665 121.223 0.121 0.000 2.130 271 L HA 0.149 4.489 4.340 -0.001 0.000 0.200 271 L C 2.447 179.381 176.870 0.106 0.000 1.075 271 L CA 0.998 55.908 54.840 0.116 0.000 0.768 271 L CB -0.071 42.039 42.059 0.085 0.000 0.933 271 L HN 0.871 nan 8.230 nan 0.000 0.451 272 R N -2.516 118.035 120.500 0.086 0.000 2.470 272 R HA 0.201 4.541 4.340 -0.001 0.000 0.210 272 R C 0.385 176.708 176.300 0.039 0.000 0.873 272 R CA -0.261 55.866 56.100 0.045 0.000 1.015 272 R CB 0.652 30.964 30.300 0.021 0.000 1.348 272 R HN 0.212 nan 8.270 nan 0.000 0.650 273 C N 1.902 121.258 119.300 0.093 0.000 2.601 273 C HA 0.275 4.735 4.460 -0.001 0.000 0.409 273 C C -0.092 175.050 174.990 0.253 0.000 1.293 273 C CA -0.273 58.818 59.018 0.120 0.000 2.101 273 C CB -0.088 27.721 27.740 0.115 0.000 2.639 273 C HN 0.313 nan 8.230 nan 0.000 0.592 274 H N 1.146 120.258 119.070 0.071 0.000 2.511 274 H HA 0.449 5.005 4.556 -0.001 0.000 0.328 274 H C -0.199 175.146 175.328 0.027 0.000 1.044 274 H CA 0.063 56.152 56.048 0.068 0.000 1.212 274 H CB 1.281 31.082 29.762 0.065 0.000 1.428 274 H HN 0.624 nan 8.280 nan 0.000 0.483 275 S N 3.333 119.093 115.700 0.100 0.000 2.537 275 S HA 0.581 5.050 4.470 -0.001 0.000 0.301 275 S C -0.443 174.035 174.600 -0.203 0.000 1.092 275 S CA -0.945 57.171 58.200 -0.141 0.000 1.048 275 S CB 1.790 64.905 63.200 -0.141 0.000 1.053 275 S HN 0.537 nan 8.310 nan 0.000 0.501 276 Q N 0.547 120.001 119.800 -0.576 0.000 2.345 276 Q HA 0.682 5.021 4.340 -0.001 0.000 0.275 276 Q C -1.406 174.115 176.000 -0.798 0.000 1.063 276 Q CA -0.848 54.629 55.803 -0.543 0.000 0.819 276 Q CB 2.353 30.756 28.738 -0.559 0.000 1.356 276 Q HN 0.743 nan 8.270 nan 0.000 0.418 277 A N 2.452 125.026 122.820 -0.410 0.000 2.287 277 A HA 0.803 5.123 4.320 -0.001 0.000 0.317 277 A C -1.305 176.104 177.584 -0.292 0.000 1.220 277 A CA -0.317 51.698 52.037 -0.036 0.000 0.835 277 A CB 0.255 19.485 19.000 0.382 0.000 1.180 277 A HN 0.564 nan 8.150 nan 0.000 0.500 278 F N 0.342 120.389 119.950 0.161 0.000 2.556 278 F HA 0.678 5.204 4.527 -0.001 0.000 0.327 278 F C 0.716 176.601 175.800 0.142 0.000 1.059 278 F CA -0.471 57.611 58.000 0.138 0.000 0.953 278 F CB 2.730 41.784 39.000 0.091 0.000 1.227 278 F HN 0.344 nan 8.300 nan 0.000 0.478 279 T N 2.833 117.612 114.554 0.375 0.000 3.133 279 T HA 0.461 4.811 4.350 -0.001 0.000 0.368 279 T C -0.659 174.130 174.700 0.148 0.000 1.190 279 T CA -0.288 61.977 62.100 0.276 0.000 1.282 279 T CB -0.080 68.996 68.868 0.347 0.000 1.042 279 T HN 0.235 nan 8.240 nan 0.000 0.536 280 I N 2.780 123.328 120.570 -0.038 0.000 2.325 280 I HA 0.356 4.526 4.170 -0.001 0.000 0.291 280 I C 0.464 176.192 176.117 -0.648 0.000 1.019 280 I CA -0.469 60.643 61.300 -0.313 0.000 1.302 280 I CB 0.936 38.767 38.000 -0.281 0.000 1.401 280 I HN 0.221 nan 8.210 nan 0.000 0.485 281 K N 7.324 126.995 120.400 -1.216 0.000 2.262 281 K HA 0.520 4.840 4.320 -0.001 0.000 0.282 281 K C -0.871 175.201 176.600 -0.880 0.000 1.066 281 K CA -0.452 54.991 56.287 -1.407 0.000 0.901 281 K CB 0.572 31.765 32.500 -2.178 0.000 1.089 281 K HN 0.538 nan 8.250 nan 0.000 0.476 282 L N 4.089 124.948 121.223 -0.607 0.000 2.439 282 L HA 0.283 4.622 4.340 -0.001 0.000 0.259 282 L C 1.097 177.777 176.870 -0.317 0.000 1.129 282 L CA -0.516 54.085 54.840 -0.398 0.000 0.803 282 L CB 0.819 42.709 42.059 -0.281 0.000 1.161 282 L HN 0.646 nan 8.230 nan 0.000 0.462 283 K N 0.171 120.436 120.400 -0.224 0.000 2.418 283 K HA 0.071 4.391 4.320 -0.001 0.000 0.195 283 K C -0.503 176.033 176.600 -0.108 0.000 1.035 283 K CA 0.654 56.850 56.287 -0.151 0.000 1.003 283 K CB 0.195 32.626 32.500 -0.116 0.000 0.793 283 K HN 0.476 nan 8.250 nan 0.000 0.494 284 K N -0.362 119.972 120.400 -0.111 0.000 2.579 284 K HA 0.160 4.479 4.320 -0.001 0.000 0.284 284 K C -1.652 174.905 176.600 -0.072 0.000 0.990 284 K CA -1.029 55.214 56.287 -0.074 0.000 0.880 284 K CB 0.986 33.451 32.500 -0.058 0.000 1.488 284 K HN -0.296 nan 8.250 nan 0.000 0.425 285 D N 2.082 122.455 120.400 -0.045 0.000 2.367 285 D HA 0.149 4.788 4.640 -0.001 0.000 0.255 285 D C -0.858 175.420 176.300 -0.037 0.000 1.300 285 D CA -0.113 53.867 54.000 -0.034 0.000 0.959 285 D CB 0.409 41.201 40.800 -0.013 0.000 1.064 285 D HN 0.354 nan 8.370 nan 0.000 0.509 286 V N 3.528 123.412 119.914 -0.050 0.000 2.398 286 V HA 0.254 4.373 4.120 -0.001 0.000 0.286 286 V C 0.862 176.934 176.094 -0.037 0.000 1.026 286 V CA -1.088 61.183 62.300 -0.048 0.000 0.868 286 V CB 1.153 32.936 31.823 -0.066 0.000 0.982 286 V HN 0.630 nan 8.190 nan 0.000 0.443 287 S N 4.430 120.114 115.700 -0.027 0.000 2.566 287 S HA 0.137 4.607 4.470 -0.001 0.000 0.280 287 S C 1.047 175.634 174.600 -0.021 0.000 1.343 287 S CA -0.208 57.981 58.200 -0.019 0.000 1.036 287 S CB 0.454 63.645 63.200 -0.015 0.000 0.866 287 S HN 0.443 nan 8.310 nan 0.000 0.526 288 I N 3.306 123.868 120.570 -0.014 0.000 2.179 288 I HA 0.052 4.221 4.170 -0.001 0.000 0.242 288 I C -0.813 175.296 176.117 -0.013 0.000 1.088 288 I CA 0.527 61.820 61.300 -0.012 0.000 1.357 288 I CB -1.922 36.077 38.000 -0.003 0.000 1.051 288 I HN 0.610 nan 8.210 nan 0.000 0.409 289 P HA -0.123 nan 4.420 nan 0.000 0.216 289 P C 1.808 179.100 177.300 -0.014 0.000 1.150 289 P CA 1.664 64.758 63.100 -0.010 0.000 0.837 289 P CB -0.191 31.504 31.700 -0.008 0.000 0.786 290 T N -0.492 114.051 114.554 -0.018 0.000 2.622 290 T HA -0.126 4.223 4.350 -0.001 0.000 0.266 290 T C 1.860 176.544 174.700 -0.027 0.000 1.047 290 T CA 1.515 63.602 62.100 -0.022 0.000 1.159 290 T CB -1.148 67.703 68.868 -0.027 0.000 0.863 290 T HN -0.153 nan 8.240 nan 0.000 0.422 291 V N 1.560 121.453 119.914 -0.035 0.000 2.278 291 V HA -0.269 3.851 4.120 -0.001 0.000 0.251 291 V C 2.512 178.586 176.094 -0.033 0.000 1.062 291 V CA 1.962 64.234 62.300 -0.045 0.000 1.038 291 V CB -0.630 31.163 31.823 -0.050 0.000 0.646 291 V HN 0.575 nan 8.190 nan 0.000 0.447 292 E N -0.593 119.595 120.200 -0.020 0.000 2.110 292 E HA -0.238 4.111 4.350 -0.001 0.000 0.193 292 E C 2.251 178.845 176.600 -0.010 0.000 0.988 292 E CA 1.435 57.828 56.400 -0.011 0.000 0.804 292 E CB -0.115 29.582 29.700 -0.005 0.000 0.745 292 E HN 0.722 nan 8.360 nan 0.000 0.458 293 E N 0.679 120.872 120.200 -0.012 0.000 2.028 293 E HA -0.165 4.184 4.350 -0.001 0.000 0.191 293 E C 2.296 178.893 176.600 -0.005 0.000 0.988 293 E CA 0.850 57.244 56.400 -0.009 0.000 0.799 293 E CB -0.123 29.570 29.700 -0.011 0.000 0.755 293 E HN 0.234 nan 8.360 nan 0.000 0.447 294 L N 0.796 122.014 121.223 -0.009 0.000 2.042 294 L HA -0.211 4.129 4.340 -0.001 0.000 0.210 294 L C 2.544 179.424 176.870 0.018 0.000 1.076 294 L CA 0.975 55.815 54.840 0.001 0.000 0.749 294 L CB -0.620 41.428 42.059 -0.019 0.000 0.893 294 L HN 0.162 nan 8.230 nan 0.000 0.432 295 L N 0.045 121.266 121.223 -0.003 0.000 1.988 295 L HA -0.138 4.201 4.340 -0.001 0.000 0.207 295 L C 2.837 179.725 176.870 0.029 0.000 1.071 295 L CA 1.273 56.112 54.840 -0.001 0.000 0.744 295 L CB -0.728 41.317 42.059 -0.022 0.000 0.893 295 L HN 0.204 nan 8.230 nan 0.000 0.433 296 A N -0.380 122.449 122.820 0.015 0.000 2.121 296 A HA -0.017 4.303 4.320 -0.001 0.000 0.218 296 A C 2.384 179.972 177.584 0.006 0.000 1.154 296 A CA 1.425 53.468 52.037 0.009 0.000 0.679 296 A CB -0.516 18.482 19.000 -0.003 0.000 0.795 296 A HN 0.426 nan 8.150 nan 0.000 0.458 297 A N -1.475 121.357 122.820 0.021 0.000 1.903 297 A HA -0.072 4.248 4.320 -0.001 0.000 0.213 297 A C 2.023 179.624 177.584 0.027 0.000 1.185 297 A CA 1.236 53.279 52.037 0.011 0.000 0.628 297 A CB -0.912 18.095 19.000 0.010 0.000 0.830 297 A HN 0.663 nan 8.150 nan 0.000 0.446 298 H N 1.203 120.261 119.070 -0.020 0.000 2.292 298 H HA -0.193 4.362 4.556 -0.001 0.000 0.292 298 H C 0.100 175.428 175.328 0.000 0.000 1.100 298 H CA 1.974 58.018 56.048 -0.006 0.000 1.238 298 H CB -0.032 29.731 29.762 0.003 0.000 1.355 298 H HN 0.744 nan 8.280 nan 0.000 0.484 299 N N -2.136 116.623 118.700 0.099 0.000 2.710 299 N HA 0.156 4.896 4.740 -0.001 0.000 0.257 299 N C -2.586 172.850 175.510 -0.124 0.000 1.327 299 N CA -1.182 51.879 53.050 0.020 0.000 0.861 299 N CB 1.580 40.245 38.487 0.297 0.000 1.532 299 N HN -0.228 nan 8.380 nan 0.000 0.499 300 P HA -0.005 nan 4.420 nan 0.000 0.247 300 P C -0.249 176.690 177.300 -0.602 0.000 1.225 300 P CA 0.714 63.453 63.100 -0.602 0.000 0.768 300 P CB -0.009 31.196 31.700 -0.825 0.000 1.020 301 W N -0.224 121.079 121.300 0.006 0.000 2.915 301 W HA 0.380 5.040 4.660 -0.000 0.000 0.276 301 W C 0.795 177.303 176.519 -0.018 0.000 1.215 301 W CA -0.164 57.188 57.345 0.011 0.000 1.514 301 W CB -0.337 29.091 29.460 -0.054 0.000 1.017 301 W HN -0.088 nan 8.180 nan 0.000 0.598 302 A N 2.435 125.341 122.820 0.143 0.000 2.981 302 A HA 0.148 4.468 4.320 -0.001 0.000 0.280 302 A C 0.332 177.946 177.584 0.049 0.000 1.743 302 A CA 0.148 52.233 52.037 0.078 0.000 1.430 302 A CB -0.809 18.227 19.000 0.059 0.000 1.085 302 A HN 0.081 nan 8.150 nan 0.000 0.597 303 K N 2.356 122.793 120.400 0.062 0.000 2.349 303 K HA 0.334 4.654 4.320 -0.001 0.000 0.289 303 K C -0.779 175.847 176.600 0.043 0.000 1.064 303 K CA -0.238 56.075 56.287 0.043 0.000 0.947 303 K CB 0.505 33.039 32.500 0.057 0.000 1.007 303 K HN 0.282 nan 8.250 nan 0.000 0.478 304 V N 5.912 125.843 119.914 0.029 0.000 2.408 304 V HA 0.088 4.208 4.120 -0.001 0.000 0.267 304 V C -0.265 175.850 176.094 0.034 0.000 1.047 304 V CA -0.592 61.727 62.300 0.030 0.000 0.937 304 V CB 1.307 33.141 31.823 0.017 0.000 0.999 304 V HN 0.500 nan 8.190 nan 0.000 0.472 305 V N 8.706 128.648 119.914 0.047 0.000 2.383 305 V HA 0.322 4.442 4.120 -0.001 0.000 0.275 305 V C -2.038 174.079 176.094 0.039 0.000 1.036 305 V CA -1.940 60.388 62.300 0.046 0.000 0.889 305 V CB 1.256 33.116 31.823 0.062 0.000 0.985 305 V HN 0.732 nan 8.190 nan 0.000 0.459 306 P HA 0.038 nan 4.420 nan 0.000 0.269 306 P C 0.179 177.493 177.300 0.024 0.000 1.217 306 P CA -0.044 63.069 63.100 0.022 0.000 0.783 306 P CB 0.368 32.077 31.700 0.015 0.000 0.898 307 N N 1.183 119.895 118.700 0.020 0.000 2.906 307 N HA -0.010 4.730 4.740 -0.001 0.000 0.282 307 N C -0.821 174.695 175.510 0.009 0.000 1.293 307 N CA -0.162 52.899 53.050 0.018 0.000 1.059 307 N CB -0.282 38.216 38.487 0.019 0.000 1.388 307 N HN 0.317 nan 8.380 nan 0.000 0.533 308 D N 0.205 120.610 120.400 0.008 0.000 2.248 308 D HA 0.086 4.725 4.640 -0.001 0.000 0.246 308 D C 0.994 177.294 176.300 -0.001 0.000 1.027 308 D CA -0.510 53.492 54.000 0.003 0.000 0.853 308 D CB 1.737 42.541 40.800 0.005 0.000 1.243 308 D HN 0.109 nan 8.370 nan 0.000 0.462 309 R N 1.396 121.893 120.500 -0.005 0.000 2.103 309 R HA -0.235 4.105 4.340 -0.001 0.000 0.234 309 R C 0.996 177.292 176.300 -0.007 0.000 1.132 309 R CA 1.897 57.990 56.100 -0.010 0.000 0.925 309 R CB 0.051 30.345 30.300 -0.010 0.000 0.842 309 R HN 0.373 nan 8.270 nan 0.000 0.430 310 E N 0.648 120.846 120.200 -0.002 0.000 2.021 310 E HA -0.234 4.115 4.350 -0.001 0.000 0.200 310 E C 1.986 178.589 176.600 0.005 0.000 1.015 310 E CA 2.241 58.641 56.400 0.001 0.000 0.824 310 E CB -0.582 29.120 29.700 0.003 0.000 0.762 310 E HN 0.619 nan 8.360 nan 0.000 0.454 311 I N -0.449 120.126 120.570 0.008 0.000 2.208 311 I HA -0.261 3.909 4.170 -0.001 0.000 0.245 311 I C 2.164 178.291 176.117 0.018 0.000 1.097 311 I CA 1.733 63.042 61.300 0.015 0.000 1.363 311 I CB -1.199 36.812 38.000 0.017 0.000 1.051 311 I HN -0.049 nan 8.210 nan 0.000 0.413 312 T N 1.492 116.053 114.554 0.013 0.000 2.699 312 T HA -0.157 4.193 4.350 -0.001 0.000 0.268 312 T C 1.874 176.576 174.700 0.005 0.000 1.036 312 T CA 2.229 64.335 62.100 0.011 0.000 1.147 312 T CB -0.352 68.510 68.868 -0.009 0.000 0.862 312 T HN 0.366 nan 8.240 nan 0.000 0.446 313 M N 0.233 119.830 119.600 -0.004 0.000 2.319 313 M HA 0.035 4.514 4.480 -0.001 0.000 0.265 313 M C 2.299 178.605 176.300 0.010 0.000 1.068 313 M CA 1.317 56.613 55.300 -0.006 0.000 1.118 313 M CB -0.267 32.327 32.600 -0.009 0.000 1.395 313 M HN 0.123 nan 8.290 nan 0.000 0.435 314 R N -0.255 120.254 120.500 0.017 0.000 2.173 314 R HA 0.014 4.354 4.340 -0.001 0.000 0.208 314 R C 1.358 177.678 176.300 0.034 0.000 1.035 314 R CA 0.785 56.899 56.100 0.023 0.000 1.004 314 R CB 0.184 30.496 30.300 0.020 0.000 0.917 314 R HN 0.348 nan 8.270 nan 0.000 0.462 315 E N -0.282 119.942 120.200 0.041 0.000 2.391 315 E HA 0.077 4.427 4.350 -0.001 0.000 0.206 315 E C -0.070 176.575 176.600 0.076 0.000 0.851 315 E CA -0.076 56.358 56.400 0.055 0.000 1.059 315 E CB 0.528 30.259 29.700 0.052 0.000 1.065 315 E HN -0.083 nan 8.360 nan 0.000 0.512 316 L N 2.119 123.392 121.223 0.084 0.000 2.873 316 L HA 0.217 4.557 4.340 -0.001 0.000 0.236 316 L C -0.541 176.417 176.870 0.147 0.000 1.375 316 L CA 0.415 55.336 54.840 0.134 0.000 1.239 316 L CB -0.569 41.586 42.059 0.160 0.000 1.603 316 L HN 0.006 nan 8.230 nan 0.000 0.430 317 T N -4.146 110.475 114.554 0.113 0.000 2.916 317 T HA 0.467 4.816 4.350 -0.001 0.000 0.305 317 T C -2.158 172.601 174.700 0.098 0.000 1.119 317 T CA -1.714 60.448 62.100 0.103 0.000 1.008 317 T CB 1.738 70.642 68.868 0.060 0.000 1.129 317 T HN -0.211 nan 8.240 nan 0.000 0.480 318 P HA -0.154 nan 4.420 nan 0.000 0.216 318 P C 1.814 179.160 177.300 0.077 0.000 1.157 318 P CA 2.063 65.220 63.100 0.095 0.000 0.880 318 P CB -0.285 31.476 31.700 0.101 0.000 0.791 319 A N -0.439 122.421 122.820 0.067 0.000 1.997 319 A HA -0.217 4.102 4.320 -0.001 0.000 0.221 319 A C 2.281 179.897 177.584 0.053 0.000 1.172 319 A CA 2.415 54.485 52.037 0.054 0.000 0.645 319 A CB -1.531 17.496 19.000 0.045 0.000 0.813 319 A HN 0.260 nan 8.150 nan 0.000 0.454 320 A N -1.378 121.478 122.820 0.060 0.000 1.935 320 A HA 0.241 4.560 4.320 -0.001 0.000 0.214 320 A C 2.124 179.749 177.584 0.069 0.000 1.178 320 A CA 1.364 53.437 52.037 0.060 0.000 0.640 320 A CB -0.379 18.658 19.000 0.061 0.000 0.825 320 A HN 0.346 nan 8.150 nan 0.000 0.447 321 V N 0.093 120.055 119.914 0.079 0.000 2.599 321 V HA -0.057 4.062 4.120 -0.001 0.000 0.245 321 V C 1.081 177.222 176.094 0.079 0.000 1.046 321 V CA 1.186 63.540 62.300 0.090 0.000 1.065 321 V CB -0.887 30.998 31.823 0.103 0.000 0.703 321 V HN 0.454 nan 8.190 nan 0.000 0.464 322 T N 1.582 116.177 114.554 0.068 0.000 2.777 322 T HA 0.207 4.557 4.350 -0.001 0.000 0.273 322 T C 1.262 175.987 174.700 0.042 0.000 1.016 322 T CA 1.378 63.510 62.100 0.053 0.000 1.156 322 T CB -0.159 68.740 68.868 0.050 0.000 1.019 322 T HN 0.917 nan 8.240 nan 0.000 0.503 323 G N 2.795 111.611 108.800 0.027 0.000 2.179 323 G HA2 -0.270 3.690 3.960 -0.001 0.000 0.260 323 G HA3 -0.270 3.690 3.960 -0.001 0.000 0.260 323 G C 0.357 175.268 174.900 0.019 0.000 0.977 323 G CA 0.539 45.646 45.100 0.013 0.000 0.641 323 G HN 1.241 nan 8.290 nan 0.000 0.533 324 T N -2.046 112.536 114.554 0.048 0.000 2.949 324 T HA 0.725 5.074 4.350 -0.001 0.000 0.287 324 T C 1.079 175.844 174.700 0.109 0.000 1.034 324 T CA -0.544 61.603 62.100 0.078 0.000 1.018 324 T CB 1.847 70.778 68.868 0.106 0.000 1.135 324 T HN 0.332 nan 8.240 nan 0.000 0.532 325 L N 0.925 122.253 121.223 0.175 0.000 2.629 325 L HA 0.229 4.568 4.340 -0.001 0.000 0.230 325 L C 0.628 177.861 176.870 0.605 0.000 1.151 325 L CA -0.247 54.767 54.840 0.289 0.000 0.924 325 L CB -0.295 41.913 42.059 0.250 0.000 1.137 325 L HN 0.769 nan 8.230 nan 0.000 0.457 326 T N -0.156 114.639 114.554 0.402 0.000 2.869 326 T HA 0.275 4.625 4.350 -0.001 0.000 0.295 326 T C 0.688 175.554 174.700 0.276 0.000 0.987 326 T CA -0.335 61.977 62.100 0.354 0.000 1.109 326 T CB 1.071 70.071 68.868 0.220 0.000 0.932 326 T HN 0.185 nan 8.240 nan 0.000 0.518 327 T N 0.534 115.224 114.554 0.227 0.000 3.401 327 T HA 0.365 4.714 4.350 -0.001 0.000 0.341 327 T C -2.831 171.930 174.700 0.102 0.000 1.674 327 T CA -1.939 60.242 62.100 0.134 0.000 1.600 327 T CB 0.362 69.255 68.868 0.041 0.000 0.974 327 T HN 0.275 nan 8.240 nan 0.000 0.672 328 P HA 0.295 nan 4.420 nan 0.000 0.269 328 P C -0.493 176.858 177.300 0.084 0.000 1.209 328 P CA -0.262 62.892 63.100 0.092 0.000 0.776 328 P CB 1.216 32.976 31.700 0.100 0.000 0.876 329 V N 2.410 122.370 119.914 0.078 0.000 2.540 329 V HA 0.795 4.915 4.120 -0.001 0.000 0.302 329 V C 0.736 176.890 176.094 0.100 0.000 1.035 329 V CA -0.105 62.245 62.300 0.083 0.000 0.873 329 V CB 1.655 33.504 31.823 0.042 0.000 0.992 329 V HN 0.941 nan 8.190 nan 0.000 0.428 330 G N 2.497 111.385 108.800 0.147 0.000 2.749 330 G HA2 0.612 4.571 3.960 -0.001 0.000 0.300 330 G HA3 0.612 4.571 3.960 -0.001 0.000 0.300 330 G C -0.539 174.454 174.900 0.154 0.000 1.352 330 G CA -0.825 44.356 45.100 0.135 0.000 0.789 330 G HN 0.411 nan 8.290 nan 0.000 0.509 331 R N -1.446 119.118 120.500 0.106 0.000 3.525 331 R HA -0.142 4.197 4.340 -0.001 0.000 0.276 331 R C -0.201 176.154 176.300 0.092 0.000 1.116 331 R CA 0.292 56.445 56.100 0.089 0.000 0.745 331 R CB -2.430 27.934 30.300 0.106 0.000 1.185 331 R HN 0.439 nan 8.270 nan 0.000 0.454 332 L N 1.638 122.904 121.223 0.072 0.000 2.315 332 L HA 0.307 4.647 4.340 -0.001 0.000 0.283 332 L C 1.023 177.916 176.870 0.039 0.000 1.089 332 L CA 0.144 55.016 54.840 0.055 0.000 0.833 332 L CB 0.553 42.632 42.059 0.034 0.000 1.170 332 L HN 0.272 nan 8.230 nan 0.000 0.442 333 R N 2.223 122.749 120.500 0.042 0.000 2.709 333 R HA 0.409 4.748 4.340 -0.001 0.000 0.270 333 R C -1.707 174.618 176.300 0.042 0.000 1.038 333 R CA -1.107 55.014 56.100 0.034 0.000 0.872 333 R CB 0.956 31.275 30.300 0.032 0.000 1.259 333 R HN 0.080 nan 8.270 nan 0.000 0.473 334 K N 2.542 122.964 120.400 0.037 0.000 2.339 334 K HA 0.262 4.581 4.320 -0.001 0.000 0.286 334 K C 0.051 176.685 176.600 0.056 0.000 1.050 334 K CA -0.330 55.989 56.287 0.053 0.000 0.956 334 K CB 0.704 33.229 32.500 0.042 0.000 0.990 334 K HN 0.460 nan 8.250 nan 0.000 0.475 335 L N 2.184 123.458 121.223 0.085 0.000 2.472 335 L HA 0.056 4.395 4.340 -0.001 0.000 0.260 335 L C 1.613 178.476 176.870 -0.012 0.000 1.209 335 L CA -0.498 54.371 54.840 0.049 0.000 0.817 335 L CB 0.118 42.226 42.059 0.083 0.000 1.106 335 L HN 0.514 nan 8.230 nan 0.000 0.479 336 N N 1.075 119.748 118.700 -0.044 0.000 2.381 336 N HA -0.102 4.638 4.740 -0.001 0.000 0.182 336 N C 1.322 176.747 175.510 -0.141 0.000 1.025 336 N CA 1.002 54.011 53.050 -0.068 0.000 0.888 336 N CB -0.073 38.383 38.487 -0.052 0.000 0.965 336 N HN 0.589 nan 8.380 nan 0.000 0.438 337 M N -0.987 118.445 119.600 -0.280 0.000 2.659 337 M HA 0.279 4.759 4.480 -0.001 0.000 0.243 337 M C 0.552 176.545 176.300 -0.512 0.000 1.111 337 M CA 0.221 55.215 55.300 -0.510 0.000 1.070 337 M CB -0.512 31.528 32.600 -0.934 0.000 1.525 337 M HN -0.053 nan 8.290 nan 0.000 0.517 338 G N 1.177 109.855 108.800 -0.202 0.000 2.321 338 G HA2 0.142 4.102 3.960 -0.001 0.000 0.339 338 G HA3 0.142 4.102 3.960 -0.001 0.000 0.339 338 G C -3.068 171.928 174.900 0.159 0.000 1.518 338 G CA -0.963 44.158 45.100 0.034 0.000 0.994 338 G HN -0.031 nan 8.290 nan 0.000 0.668 339 P HA 0.138 nan 4.420 nan 0.000 0.245 339 P C 0.864 178.213 177.300 0.081 0.000 1.212 339 P CA 0.775 63.925 63.100 0.083 0.000 0.774 339 P CB 0.412 32.137 31.700 0.042 0.000 0.999 340 E N -1.472 118.818 120.200 0.149 0.000 2.479 340 E HA 0.098 4.448 4.350 -0.001 0.000 0.193 340 E C -0.417 176.089 176.600 -0.156 0.000 1.049 340 E CA -0.102 56.294 56.400 -0.006 0.000 0.870 340 E CB 0.043 29.728 29.700 -0.025 0.000 0.944 340 E HN 0.174 nan 8.360 nan 0.000 0.492 341 F N 0.805 120.696 119.950 -0.099 0.000 2.444 341 F HA 0.364 4.890 4.527 -0.001 0.000 0.342 341 F C -0.190 175.559 175.800 -0.084 0.000 1.121 341 F CA -0.974 56.959 58.000 -0.113 0.000 0.997 341 F CB 1.182 40.152 39.000 -0.049 0.000 1.130 341 F HN -0.143 nan 8.300 nan 0.000 0.454 342 L N 3.245 124.467 121.223 -0.000 0.000 2.354 342 L HA 0.801 5.141 4.340 -0.001 0.000 0.269 342 L C -0.415 176.489 176.870 0.055 0.000 1.005 342 L CA -0.260 54.584 54.840 0.006 0.000 0.819 342 L CB 2.059 44.073 42.059 -0.074 0.000 1.311 342 L HN 0.564 nan 8.230 nan 0.000 0.423 343 S N 3.423 119.175 115.700 0.087 0.000 2.536 343 S HA 1.012 5.482 4.470 -0.001 0.000 0.298 343 S C -0.797 173.894 174.600 0.151 0.000 1.083 343 S CA 0.001 58.287 58.200 0.143 0.000 0.995 343 S CB 1.799 65.085 63.200 0.142 0.000 1.058 343 S HN 1.356 nan 8.310 nan 0.000 0.488 344 A N 1.869 124.834 122.820 0.241 0.000 2.589 344 A HA 0.760 5.080 4.320 -0.001 0.000 0.296 344 A C -1.786 176.046 177.584 0.414 0.000 1.062 344 A CA -0.650 51.546 52.037 0.264 0.000 0.686 344 A CB 1.161 20.264 19.000 0.172 0.000 1.282 344 A HN 1.134 nan 8.150 nan 0.000 0.404 345 F N 1.863 121.924 119.950 0.185 0.000 2.518 345 F HA 0.685 5.211 4.527 -0.001 0.000 0.323 345 F C 0.370 176.265 175.800 0.158 0.000 1.129 345 F CA 0.229 58.315 58.000 0.144 0.000 0.920 345 F CB 2.157 41.176 39.000 0.032 0.000 1.160 345 F HN 0.802 nan 8.300 nan 0.000 0.440 346 T N 2.750 117.123 114.554 -0.302 0.000 2.924 346 T HA 0.885 5.235 4.350 -0.001 0.000 0.291 346 T C -1.310 173.238 174.700 -0.254 0.000 1.045 346 T CA -0.752 61.285 62.100 -0.106 0.000 1.015 346 T CB 1.749 70.688 68.868 0.119 0.000 1.103 346 T HN 0.422 nan 8.240 nan 0.000 0.496 347 V N 0.216 120.106 119.914 -0.039 0.000 2.925 347 V HA 0.945 5.064 4.120 -0.001 0.000 0.311 347 V C 0.267 176.406 176.094 0.075 0.000 1.104 347 V CA -0.484 61.822 62.300 0.011 0.000 0.954 347 V CB 1.998 33.868 31.823 0.079 0.000 1.022 347 V HN 1.500 nan 8.190 nan 0.000 0.427 348 G N 0.867 109.726 108.800 0.098 0.000 2.691 348 G HA2 0.404 4.364 3.960 -0.001 0.000 0.298 348 G HA3 0.404 4.364 3.960 -0.001 0.000 0.298 348 G C -1.827 173.136 174.900 0.105 0.000 1.471 348 G CA -0.582 44.592 45.100 0.122 0.000 0.912 348 G HN 0.605 nan 8.290 nan 0.000 0.553 349 D N 0.949 121.409 120.400 0.100 0.000 2.417 349 D HA 0.017 4.656 4.640 -0.001 0.000 0.250 349 D C 1.182 177.474 176.300 -0.012 0.000 1.166 349 D CA -0.144 53.879 54.000 0.039 0.000 0.881 349 D CB 1.545 42.364 40.800 0.031 0.000 1.164 349 D HN 0.437 nan 8.370 nan 0.000 0.467 350 Q N 4.203 123.930 119.800 -0.121 0.000 2.172 350 Q HA -0.099 4.241 4.340 -0.001 0.000 0.200 350 Q C 1.806 177.722 176.000 -0.140 0.000 0.964 350 Q CA 0.753 56.414 55.803 -0.237 0.000 0.855 350 Q CB 0.128 28.514 28.738 -0.588 0.000 0.918 350 Q HN 0.679 nan 8.270 nan 0.000 0.444 351 L N 0.163 121.321 121.223 -0.109 0.000 2.217 351 L HA -0.097 4.243 4.340 -0.001 0.000 0.211 351 L C 2.140 178.941 176.870 -0.115 0.000 1.107 351 L CA 0.367 55.149 54.840 -0.098 0.000 0.783 351 L CB -0.122 41.888 42.059 -0.082 0.000 0.919 351 L HN 0.202 nan 8.230 nan 0.000 0.442 352 L N -1.834 119.313 121.223 -0.126 0.000 2.157 352 L HA -0.064 4.275 4.340 -0.001 0.000 0.201 352 L C 2.135 178.864 176.870 -0.234 0.000 1.221 352 L CA 0.905 55.604 54.840 -0.235 0.000 0.915 352 L CB -0.728 41.157 42.059 -0.290 0.000 1.013 352 L HN 0.147 nan 8.230 nan 0.000 0.522 353 W N 0.258 121.482 121.300 -0.126 0.000 2.392 353 W HA -0.095 4.565 4.660 -0.000 0.000 0.279 353 W C 2.178 178.633 176.519 -0.106 0.000 1.225 353 W CA 0.739 57.996 57.345 -0.146 0.000 1.233 353 W CB -0.341 29.024 29.460 -0.158 0.000 1.122 353 W HN 0.338 nan 8.180 nan 0.000 0.561 354 G N -0.966 107.902 108.800 0.113 0.000 2.712 354 G HA2 0.221 4.180 3.960 -0.001 0.000 0.212 354 G HA3 0.221 4.180 3.960 -0.001 0.000 0.212 354 G C 0.971 175.874 174.900 0.005 0.000 1.142 354 G CA 0.912 46.040 45.100 0.047 0.000 0.789 354 G HN 0.273 nan 8.290 nan 0.000 0.535 355 A N -0.198 122.607 122.820 -0.026 0.000 1.761 355 A HA 0.737 5.057 4.320 -0.001 0.000 0.168 355 A C 2.189 179.734 177.584 -0.064 0.000 1.884 355 A CA 1.246 53.258 52.037 -0.043 0.000 1.217 355 A CB -0.833 18.130 19.000 -0.062 0.000 0.934 355 A HN 0.532 nan 8.150 nan 0.000 0.682 356 A N -0.409 122.345 122.820 -0.110 0.000 1.874 356 A HA 0.055 4.374 4.320 -0.001 0.000 0.214 356 A C 1.765 179.231 177.584 -0.195 0.000 1.189 356 A CA 2.151 54.106 52.037 -0.138 0.000 0.615 356 A CB -0.632 18.278 19.000 -0.150 0.000 0.830 356 A HN 0.494 nan 8.150 nan 0.000 0.443 357 E N 0.333 120.345 120.200 -0.314 0.000 2.113 357 E HA -0.194 4.156 4.350 -0.001 0.000 0.210 357 E C -0.646 175.760 176.600 -0.324 0.000 1.040 357 E CA 2.551 58.649 56.400 -0.504 0.000 0.847 357 E CB -1.099 27.947 29.700 -1.091 0.000 0.755 357 E HN 0.466 nan 8.360 nan 0.000 0.459 358 P HA -0.149 nan 4.420 nan 0.000 0.216 358 P C 1.380 178.649 177.300 -0.051 0.000 1.150 358 P CA 1.298 64.394 63.100 -0.007 0.000 0.837 358 P CB -0.151 31.589 31.700 0.067 0.000 0.786 359 L N -0.728 120.454 121.223 -0.069 0.000 1.988 359 L HA -0.096 4.244 4.340 -0.001 0.000 0.207 359 L C 2.920 179.736 176.870 -0.090 0.000 1.071 359 L CA 1.466 56.270 54.840 -0.060 0.000 0.744 359 L CB -1.103 40.925 42.059 -0.051 0.000 0.893 359 L HN -0.100 nan 8.230 nan 0.000 0.433 360 R N 0.882 121.305 120.500 -0.129 0.000 2.119 360 R HA -0.202 4.137 4.340 -0.001 0.000 0.246 360 R C 2.450 178.668 176.300 -0.137 0.000 1.146 360 R CA 1.843 57.853 56.100 -0.151 0.000 0.962 360 R CB -0.090 30.089 30.300 -0.202 0.000 0.863 360 R HN 0.423 nan 8.270 nan 0.000 0.442 361 R N -0.607 119.813 120.500 -0.134 0.000 2.119 361 R HA -0.059 4.280 4.340 -0.001 0.000 0.222 361 R C 2.196 178.427 176.300 -0.115 0.000 1.088 361 R CA 0.916 56.953 56.100 -0.105 0.000 0.984 361 R CB -0.433 29.824 30.300 -0.072 0.000 0.884 361 R HN 0.201 nan 8.270 nan 0.000 0.447 362 M N 1.652 121.175 119.600 -0.128 0.000 2.132 362 M HA -0.073 4.407 4.480 -0.001 0.000 0.263 362 M C 2.025 178.201 176.300 -0.206 0.000 1.065 362 M CA 1.297 56.479 55.300 -0.197 0.000 1.122 362 M CB -0.464 32.024 32.600 -0.187 0.000 1.365 362 M HN 0.135 nan 8.290 nan 0.000 0.411 363 L N -0.063 121.075 121.223 -0.142 0.000 2.042 363 L HA -0.174 4.165 4.340 -0.001 0.000 0.210 363 L C 2.377 179.172 176.870 -0.125 0.000 1.076 363 L CA 1.990 56.758 54.840 -0.119 0.000 0.749 363 L CB -0.799 41.223 42.059 -0.063 0.000 0.893 363 L HN 0.365 nan 8.230 nan 0.000 0.432 364 R N -1.035 119.395 120.500 -0.116 0.000 2.091 364 R HA -0.182 4.157 4.340 -0.001 0.000 0.238 364 R C 2.383 178.619 176.300 -0.106 0.000 1.136 364 R CA 1.885 57.927 56.100 -0.097 0.000 0.959 364 R CB -0.197 30.055 30.300 -0.080 0.000 0.856 364 R HN 0.577 nan 8.270 nan 0.000 0.437 365 Q N -0.114 119.601 119.800 -0.141 0.000 2.084 365 Q HA -0.157 4.182 4.340 -0.001 0.000 0.202 365 Q C 2.039 177.927 176.000 -0.186 0.000 0.978 365 Q CA 1.461 57.168 55.803 -0.161 0.000 0.844 365 Q CB 0.002 28.611 28.738 -0.216 0.000 0.898 365 Q HN 0.404 nan 8.270 nan 0.000 0.426 366 L N 0.033 121.109 121.223 -0.245 0.000 2.418 366 L HA 0.105 4.445 4.340 -0.001 0.000 0.218 366 L C 1.320 178.116 176.870 -0.123 0.000 1.125 366 L CA -0.351 54.329 54.840 -0.268 0.000 0.835 366 L CB -0.511 41.279 42.059 -0.450 0.000 0.953 366 L HN 0.036 nan 8.230 nan 0.000 0.454 367 A N 0.000 122.764 122.820 -0.094 0.000 2.254 367 A HA 0.000 4.320 4.320 -0.001 0.000 0.244 367 A CA 0.000 52.008 52.037 -0.048 0.000 0.836 367 A CB 0.000 18.972 19.000 -0.046 0.000 0.831 367 A HN 0.000 nan 8.150 nan 0.000 0.486