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 2btv_1_S DATA FIRST_RESID 1 DATA SEQUENCE MDTIAARALT VMRACATLQE ARIVLEANVM EILGIAINRY NGLTLRGVTM DATA SEQUENCE RPTSLAQRNE MFFMCLDMML SAAGINVGPI SPDYTQHMAT IGVLATPEIP DATA SEQUENCE FTTEAANEIA RVTGETSTWG PARQPYGFFL ETEETFQPGR WFMRAAQAAT DATA SEQUENCE AVVCGPDMIQ VSLNAGARGD VQQIFQGRND PMMIYLVWRR IENFAMAQGN DATA SEQUENCE SQQTQAGVTV SVGGVDMRAG RIIAWDGQAA LHVRNPTQQN AMVQIQVVFY DATA SEQUENCE ISMDKTLNQY PALTAEIFNV YSFRDHTWHG LRTAIRNRTT LPNMLPPIFP DATA SEQUENCE PNDRDSILTL LLLSTLADVY TVLRPEFAMH GVNPMPGPLT AAIARAAYV 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 0.000 176.260 176.300 -0.067 0.000 1.140 1 M CA 0.000 55.274 55.300 -0.043 0.000 0.988 1 M CB 0.000 32.579 32.600 -0.035 0.000 1.302 2 D N 0.534 120.883 120.400 -0.085 0.000 2.149 2 D HA -0.045 4.595 4.640 -0.000 0.000 0.201 2 D C 1.710 177.901 176.300 -0.181 0.000 0.972 2 D CA 2.448 56.379 54.000 -0.114 0.000 0.835 2 D CB -0.517 40.217 40.800 -0.110 0.000 0.966 2 D HN 0.708 nan 8.370 nan 0.000 0.476 3 T N -0.021 114.410 114.554 -0.205 0.000 2.653 3 T HA -0.205 4.145 4.350 -0.000 0.000 0.268 3 T C 2.262 176.820 174.700 -0.238 0.000 1.035 3 T CA 1.068 62.972 62.100 -0.327 0.000 1.154 3 T CB -0.777 67.995 68.868 -0.159 0.000 0.862 3 T HN 0.164 nan 8.240 nan 0.000 0.441 4 I N 2.282 122.785 120.570 -0.111 0.000 2.127 4 I HA -0.165 4.005 4.170 -0.000 0.000 0.241 4 I C 3.293 179.371 176.117 -0.065 0.000 1.075 4 I CA 1.451 62.719 61.300 -0.054 0.000 1.334 4 I CB -0.822 37.159 38.000 -0.031 0.000 1.040 4 I HN 0.373 nan 8.210 nan 0.000 0.405 5 A N 0.773 123.542 122.820 -0.085 0.000 1.883 5 A HA -0.224 4.096 4.320 -0.000 0.000 0.217 5 A C 2.554 180.083 177.584 -0.092 0.000 1.186 5 A CA 2.147 54.138 52.037 -0.077 0.000 0.624 5 A CB -0.995 17.956 19.000 -0.082 0.000 0.822 5 A HN 0.467 nan 8.150 nan 0.000 0.444 6 A N -0.289 122.432 122.820 -0.165 0.000 1.908 6 A HA -0.197 4.123 4.320 -0.000 0.000 0.218 6 A C 2.261 179.800 177.584 -0.075 0.000 1.181 6 A CA 1.651 53.572 52.037 -0.193 0.000 0.627 6 A CB -0.499 18.213 19.000 -0.481 0.000 0.818 6 A HN 0.582 nan 8.150 nan 0.000 0.445 7 R N -0.645 119.827 120.500 -0.048 0.000 2.088 7 R HA -0.113 4.227 4.340 -0.000 0.000 0.232 7 R C 2.572 178.898 176.300 0.045 0.000 1.136 7 R CA 1.345 57.500 56.100 0.091 0.000 0.926 7 R CB -0.703 29.663 30.300 0.110 0.000 0.837 7 R HN 0.493 nan 8.270 nan 0.000 0.429 8 A N 1.428 124.254 122.820 0.010 0.000 1.927 8 A HA -0.227 4.093 4.320 -0.000 0.000 0.220 8 A C 2.141 179.718 177.584 -0.011 0.000 1.185 8 A CA 1.522 53.556 52.037 -0.005 0.000 0.639 8 A CB -0.620 18.372 19.000 -0.013 0.000 0.820 8 A HN 0.267 nan 8.150 nan 0.000 0.451 9 L N -0.320 120.897 121.223 -0.009 0.000 1.976 9 L HA -0.135 4.205 4.340 -0.000 0.000 0.209 9 L C 2.650 179.527 176.870 0.012 0.000 1.071 9 L CA 2.892 57.729 54.840 -0.004 0.000 0.746 9 L CB -1.098 40.958 42.059 -0.006 0.000 0.890 9 L HN 0.443 nan 8.230 nan 0.000 0.432 10 T N -0.919 113.657 114.554 0.037 0.000 2.624 10 T HA -0.260 4.090 4.350 -0.000 0.000 0.268 10 T C 1.927 176.641 174.700 0.023 0.000 1.041 10 T CA 2.061 64.192 62.100 0.051 0.000 1.159 10 T CB -0.860 68.069 68.868 0.102 0.000 0.863 10 T HN 0.229 nan 8.240 nan 0.000 0.434 11 V N 1.577 121.498 119.914 0.013 0.000 2.252 11 V HA -0.269 3.851 4.120 -0.000 0.000 0.249 11 V C 2.558 178.632 176.094 -0.033 0.000 1.056 11 V CA 2.061 64.352 62.300 -0.016 0.000 1.022 11 V CB -0.744 31.060 31.823 -0.032 0.000 0.641 11 V HN 0.472 nan 8.190 nan 0.000 0.445 12 M N -0.637 118.942 119.600 -0.035 0.000 2.067 12 M HA -0.187 4.293 4.480 -0.000 0.000 0.260 12 M C 2.472 178.759 176.300 -0.021 0.000 1.069 12 M CA 1.920 57.196 55.300 -0.039 0.000 1.117 12 M CB -0.564 32.014 32.600 -0.037 0.000 1.334 12 M HN 0.210 nan 8.290 nan 0.000 0.407 13 R N 0.185 120.680 120.500 -0.008 0.000 2.127 13 R HA -0.121 4.219 4.340 -0.000 0.000 0.238 13 R C 2.268 178.565 176.300 -0.005 0.000 1.134 13 R CA 1.389 57.489 56.100 -0.001 0.000 0.975 13 R CB -0.601 29.705 30.300 0.011 0.000 0.865 13 R HN 0.409 nan 8.270 nan 0.000 0.447 14 A N 0.790 123.605 122.820 -0.008 0.000 1.854 14 A HA -0.132 4.188 4.320 -0.000 0.000 0.214 14 A C 2.386 179.958 177.584 -0.019 0.000 1.192 14 A CA 1.194 53.224 52.037 -0.011 0.000 0.611 14 A CB -0.730 18.263 19.000 -0.012 0.000 0.832 14 A HN 0.439 nan 8.150 nan 0.000 0.442 15 C N -0.453 118.830 119.300 -0.027 0.000 2.410 15 C HA 0.027 4.487 4.460 -0.000 0.000 0.281 15 C C 3.194 178.170 174.990 -0.023 0.000 1.318 15 C CA 0.584 59.583 59.018 -0.031 0.000 1.776 15 C CB -1.543 26.173 27.740 -0.040 0.000 1.942 15 C HN 0.681 nan 8.230 nan 0.000 0.508 16 A N 0.684 123.493 122.820 -0.018 0.000 1.978 16 A HA -0.189 4.131 4.320 -0.000 0.000 0.220 16 A C 2.144 179.715 177.584 -0.021 0.000 1.170 16 A CA 2.366 54.393 52.037 -0.018 0.000 0.636 16 A CB -0.949 18.042 19.000 -0.014 0.000 0.810 16 A HN 0.588 nan 8.150 nan 0.000 0.448 17 T N 0.136 114.679 114.554 -0.018 0.000 2.929 17 T HA -0.024 4.326 4.350 -0.000 0.000 0.271 17 T C 0.488 175.175 174.700 -0.021 0.000 1.085 17 T CA 0.646 62.735 62.100 -0.018 0.000 1.125 17 T CB -0.328 68.532 68.868 -0.014 0.000 0.874 17 T HN 0.192 nan 8.240 nan 0.000 0.494 18 L N 2.493 123.701 121.223 -0.025 0.000 2.511 18 L HA 0.248 4.588 4.340 -0.000 0.000 0.239 18 L C 1.493 178.343 176.870 -0.033 0.000 1.400 18 L CA 0.258 55.081 54.840 -0.028 0.000 1.226 18 L CB -0.899 41.142 42.059 -0.030 0.000 1.475 18 L HN 0.072 nan 8.230 nan 0.000 0.428 19 Q N 0.295 120.077 119.800 -0.031 0.000 1.856 19 Q HA -0.068 4.272 4.340 -0.000 0.000 0.228 19 Q C 1.209 177.187 176.000 -0.038 0.000 0.987 19 Q CA 1.745 57.527 55.803 -0.035 0.000 0.873 19 Q CB 0.181 28.902 28.738 -0.029 0.000 0.928 19 Q HN 0.658 nan 8.270 nan 0.000 0.425 20 E N -2.380 117.801 120.200 -0.031 0.000 3.029 20 E HA 0.425 4.775 4.350 -0.000 0.000 0.249 20 E C 0.438 177.022 176.600 -0.027 0.000 1.089 20 E CA 0.195 56.577 56.400 -0.030 0.000 1.089 20 E CB 0.918 30.603 29.700 -0.025 0.000 1.428 20 E HN 0.287 nan 8.360 nan 0.000 0.555 21 A N 0.578 123.384 122.820 -0.024 0.000 1.843 21 A HA 0.003 4.323 4.320 -0.000 0.000 0.213 21 A C 0.654 178.228 177.584 -0.017 0.000 1.239 21 A CA 0.522 52.546 52.037 -0.020 0.000 0.606 21 A CB -0.429 18.560 19.000 -0.019 0.000 0.903 21 A HN 0.548 nan 8.150 nan 0.000 0.455 22 R N 0.032 120.523 120.500 -0.015 0.000 2.291 22 R HA 0.519 4.859 4.340 -0.000 0.000 0.333 22 R C -1.206 175.086 176.300 -0.013 0.000 1.082 22 R CA 0.058 56.151 56.100 -0.013 0.000 0.948 22 R CB -0.080 30.213 30.300 -0.011 0.000 1.009 22 R HN 0.342 nan 8.270 nan 0.000 0.460 23 I N 1.715 122.278 120.570 -0.013 0.000 2.842 23 I HA 0.191 4.361 4.170 -0.000 0.000 0.296 23 I C -1.517 174.594 176.117 -0.011 0.000 1.538 23 I CA -1.135 60.158 61.300 -0.012 0.000 0.994 23 I CB 2.587 40.578 38.000 -0.014 0.000 1.372 23 I HN 0.454 nan 8.210 nan 0.000 0.478 24 V N 4.967 124.875 119.914 -0.010 0.000 2.398 24 V HA 0.644 4.764 4.120 -0.000 0.000 0.286 24 V C -0.487 175.601 176.094 -0.010 0.000 1.026 24 V CA -0.747 61.547 62.300 -0.010 0.000 0.868 24 V CB 1.346 33.163 31.823 -0.009 0.000 0.982 24 V HN 0.607 nan 8.190 nan 0.000 0.443 25 L N 3.212 124.429 121.223 -0.010 0.000 2.426 25 L HA 0.386 4.726 4.340 -0.000 0.000 0.271 25 L C 0.743 177.607 176.870 -0.010 0.000 1.169 25 L CA 0.592 55.425 54.840 -0.011 0.000 0.836 25 L CB 0.541 42.593 42.059 -0.011 0.000 1.112 25 L HN 0.984 nan 8.230 nan 0.000 0.465 26 E N 1.241 121.435 120.200 -0.010 0.000 2.373 26 E HA 0.193 4.543 4.350 -0.000 0.000 0.267 26 E C 0.877 177.471 176.600 -0.010 0.000 1.032 26 E CA 0.117 56.511 56.400 -0.009 0.000 0.889 26 E CB 1.279 30.974 29.700 -0.008 0.000 0.984 26 E HN 0.699 nan 8.360 nan 0.000 0.425 27 A N 4.967 127.780 122.820 -0.010 0.000 1.873 27 A HA -0.386 3.934 4.320 -0.000 0.000 0.219 27 A C 1.721 179.297 177.584 -0.013 0.000 1.269 27 A CA 2.556 54.586 52.037 -0.012 0.000 0.671 27 A CB -1.163 17.829 19.000 -0.012 0.000 0.842 27 A HN 0.898 nan 8.150 nan 0.000 0.460 28 N N -0.166 118.525 118.700 -0.014 0.000 2.049 28 N HA -0.180 4.560 4.740 -0.000 0.000 0.198 28 N C 1.507 177.008 175.510 -0.014 0.000 1.030 28 N CA 1.986 55.026 53.050 -0.016 0.000 0.870 28 N CB -0.792 37.686 38.487 -0.015 0.000 1.045 28 N HN 0.273 nan 8.380 nan 0.000 0.434 29 V N 0.917 120.824 119.914 -0.011 0.000 2.277 29 V HA -0.352 3.768 4.120 -0.000 0.000 0.253 29 V C 2.234 178.321 176.094 -0.012 0.000 1.067 29 V CA 1.833 64.127 62.300 -0.011 0.000 1.047 29 V CB -0.556 31.260 31.823 -0.011 0.000 0.649 29 V HN 0.384 nan 8.190 nan 0.000 0.447 30 M N -0.726 118.867 119.600 -0.012 0.000 2.067 30 M HA -0.220 4.260 4.480 -0.000 0.000 0.260 30 M C 2.390 178.683 176.300 -0.012 0.000 1.069 30 M CA 2.271 57.564 55.300 -0.011 0.000 1.117 30 M CB -0.473 32.120 32.600 -0.011 0.000 1.334 30 M HN 0.451 nan 8.290 nan 0.000 0.407 31 E N 0.652 120.843 120.200 -0.014 0.000 2.097 31 E HA -0.234 4.116 4.350 -0.000 0.000 0.196 31 E C 1.633 178.224 176.600 -0.015 0.000 1.000 31 E CA 1.600 57.990 56.400 -0.017 0.000 0.804 31 E CB -0.083 29.602 29.700 -0.024 0.000 0.740 31 E HN 0.457 nan 8.360 nan 0.000 0.454 32 I N 0.523 121.084 120.570 -0.014 0.000 2.130 32 I HA -0.278 3.892 4.170 -0.000 0.000 0.232 32 I C 2.463 178.576 176.117 -0.006 0.000 1.064 32 I CA 0.905 62.200 61.300 -0.008 0.000 1.338 32 I CB -0.377 37.621 38.000 -0.005 0.000 1.084 32 I HN 0.142 nan 8.210 nan 0.000 0.404 33 L N 0.538 121.755 121.223 -0.011 0.000 2.021 33 L HA -0.233 4.107 4.340 -0.000 0.000 0.215 33 L C 2.671 179.537 176.870 -0.007 0.000 1.074 33 L CA 1.786 56.617 54.840 -0.015 0.000 0.760 33 L CB -1.566 40.481 42.059 -0.020 0.000 0.889 33 L HN 0.472 nan 8.230 nan 0.000 0.433 34 G N 0.666 109.463 108.800 -0.005 0.000 2.586 34 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.218 34 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.218 34 G C 1.504 176.408 174.900 0.007 0.000 1.216 34 G CA 1.339 46.439 45.100 0.000 0.000 0.786 34 G HN 0.325 nan 8.290 nan 0.000 0.583 35 I N 1.454 122.027 120.570 0.005 0.000 2.142 35 I HA -0.167 4.003 4.170 -0.000 0.000 0.240 35 I C 3.352 179.483 176.117 0.024 0.000 1.078 35 I CA 1.058 62.364 61.300 0.010 0.000 1.343 35 I CB -0.494 37.509 38.000 0.004 0.000 1.046 35 I HN 0.281 nan 8.210 nan 0.000 0.405 36 A N 1.588 124.421 122.820 0.023 0.000 1.842 36 A HA -0.237 4.083 4.320 -0.000 0.000 0.217 36 A C 2.311 179.932 177.584 0.062 0.000 1.206 36 A CA 1.970 54.028 52.037 0.036 0.000 0.630 36 A CB -1.180 17.826 19.000 0.011 0.000 0.839 36 A HN 0.389 nan 8.150 nan 0.000 0.447 37 I N -0.204 120.386 120.570 0.034 0.000 2.229 37 I HA -0.367 3.803 4.170 -0.000 0.000 0.250 37 I C 2.311 178.495 176.117 0.111 0.000 1.096 37 I CA 1.917 63.255 61.300 0.062 0.000 1.358 37 I CB -0.652 37.362 38.000 0.023 0.000 1.047 37 I HN 0.446 nan 8.210 nan 0.000 0.422 38 N N 0.404 119.145 118.700 0.068 0.000 2.051 38 N HA -0.127 4.613 4.740 -0.000 0.000 0.192 38 N C 1.977 177.518 175.510 0.052 0.000 1.049 38 N CA 1.038 54.119 53.050 0.051 0.000 0.845 38 N CB -0.084 38.420 38.487 0.028 0.000 1.031 38 N HN 0.078 nan 8.380 nan 0.000 0.425 39 R N -0.120 120.412 120.500 0.053 0.000 2.103 39 R HA -0.175 4.165 4.340 -0.000 0.000 0.242 39 R C 1.983 178.303 176.300 0.032 0.000 1.142 39 R CA 1.160 57.281 56.100 0.035 0.000 0.960 39 R CB -1.053 29.273 30.300 0.043 0.000 0.858 39 R HN 0.430 nan 8.270 nan 0.000 0.439 40 Y N 1.678 121.956 120.300 -0.037 0.000 2.036 40 Y HA -0.247 4.303 4.550 -0.000 0.000 0.273 40 Y C 1.911 177.768 175.900 -0.073 0.000 1.135 40 Y CA 2.148 60.215 58.100 -0.055 0.000 1.106 40 Y CB -0.758 37.682 38.460 -0.034 0.000 0.976 40 Y HN 0.171 nan 8.280 nan 0.000 0.483 41 N N -0.455 118.294 118.700 0.082 0.000 2.334 41 N HA -0.182 4.558 4.740 -0.000 0.000 0.187 41 N C 1.819 177.274 175.510 -0.091 0.000 1.016 41 N CA 0.529 53.572 53.050 -0.011 0.000 0.879 41 N CB -0.414 38.118 38.487 0.075 0.000 0.965 41 N HN 0.573 nan 8.380 nan 0.000 0.438 42 G N 0.737 109.489 108.800 -0.079 0.000 2.394 42 G HA2 -0.109 3.851 3.960 -0.000 0.000 0.215 42 G HA3 -0.109 3.851 3.960 -0.000 0.000 0.215 42 G C 1.315 176.138 174.900 -0.128 0.000 1.165 42 G CA 0.361 45.414 45.100 -0.078 0.000 0.784 42 G HN 0.175 nan 8.290 nan 0.000 0.535 43 L N -0.218 120.882 121.223 -0.206 0.000 2.556 43 L HA 0.216 4.556 4.340 -0.000 0.000 0.226 43 L C 2.522 179.110 176.870 -0.471 0.000 1.089 43 L CA 0.513 55.203 54.840 -0.250 0.000 0.864 43 L CB 0.031 41.965 42.059 -0.208 0.000 1.067 43 L HN 0.021 nan 8.230 nan 0.000 0.477 44 T N -0.015 114.159 114.554 -0.634 0.000 2.976 44 T HA 0.100 4.450 4.350 -0.000 0.000 0.257 44 T C 0.929 175.380 174.700 -0.414 0.000 1.051 44 T CA 0.314 61.873 62.100 -0.902 0.000 1.141 44 T CB 0.230 68.370 68.868 -1.213 0.000 0.881 44 T HN 0.058 nan 8.240 nan 0.000 0.461 45 L N 0.135 121.208 121.223 -0.250 0.000 4.759 45 L HA -0.128 4.212 4.340 -0.000 0.000 0.419 45 L C 0.440 177.281 176.870 -0.048 0.000 1.093 45 L CA 0.690 55.470 54.840 -0.100 0.000 1.037 45 L CB -1.917 40.112 42.059 -0.050 0.000 2.095 45 L HN 0.258 nan 8.230 nan 0.000 0.739 46 R N -0.302 120.165 120.500 -0.055 0.000 2.500 46 R HA 0.590 4.930 4.340 -0.000 0.000 0.277 46 R C 1.127 177.479 176.300 0.088 0.000 1.026 46 R CA 0.318 56.449 56.100 0.051 0.000 1.058 46 R CB 0.861 31.241 30.300 0.132 0.000 1.078 46 R HN 0.198 nan 8.270 nan 0.000 0.509 47 G N 1.932 110.790 108.800 0.096 0.000 3.458 47 G HA2 0.188 4.148 3.960 -0.000 0.000 0.256 47 G HA3 0.188 4.148 3.960 -0.000 0.000 0.256 47 G C 0.125 175.083 174.900 0.097 0.000 0.938 47 G CA -0.335 44.815 45.100 0.083 0.000 1.890 47 G HN 0.246 nan 8.290 nan 0.000 0.639 48 V N 0.947 120.937 119.914 0.128 0.000 2.811 48 V HA 0.270 4.390 4.120 -0.000 0.000 0.302 48 V C 0.835 176.963 176.094 0.056 0.000 1.063 48 V CA 0.110 62.469 62.300 0.099 0.000 1.088 48 V CB 1.282 33.172 31.823 0.111 0.000 0.982 48 V HN 0.427 nan 8.190 nan 0.000 0.485 49 T N 4.488 119.060 114.554 0.029 0.000 2.945 49 T HA 0.332 4.682 4.350 -0.000 0.000 0.286 49 T C 0.869 175.570 174.700 0.002 0.000 1.025 49 T CA -0.656 61.453 62.100 0.016 0.000 1.039 49 T CB 1.616 70.490 68.868 0.009 0.000 1.068 49 T HN 0.477 nan 8.240 nan 0.000 0.497 50 M N 0.428 120.029 119.600 0.001 0.000 2.193 50 M HA 0.157 4.637 4.480 -0.000 0.000 0.265 50 M C 0.947 177.240 176.300 -0.012 0.000 1.071 50 M CA 1.364 56.660 55.300 -0.006 0.000 1.140 50 M CB -0.249 32.349 32.600 -0.003 0.000 1.369 50 M HN 0.458 nan 8.290 nan 0.000 0.423 51 R N 0.926 121.420 120.500 -0.010 0.000 2.407 51 R HA 0.367 4.707 4.340 -0.000 0.000 0.298 51 R C -2.709 173.583 176.300 -0.013 0.000 1.166 51 R CA -1.508 54.584 56.100 -0.014 0.000 1.006 51 R CB 1.056 31.349 30.300 -0.012 0.000 1.145 51 R HN -0.036 nan 8.270 nan 0.000 0.538 52 P HA 0.332 nan 4.420 nan 0.000 0.276 52 P C -0.424 176.862 177.300 -0.023 0.000 1.244 52 P CA -0.307 62.782 63.100 -0.019 0.000 0.801 52 P CB 1.479 33.162 31.700 -0.028 0.000 1.006 53 T N -5.083 109.458 114.554 -0.021 0.000 3.333 53 T HA 0.023 4.373 4.350 -0.000 0.000 0.289 53 T C 1.246 175.934 174.700 -0.021 0.000 0.866 53 T CA 0.393 62.480 62.100 -0.022 0.000 0.872 53 T CB -0.809 68.049 68.868 -0.016 0.000 1.227 53 T HN 0.374 nan 8.240 nan 0.000 0.676 54 S N 1.593 117.283 115.700 -0.017 0.000 2.315 54 S HA 0.468 4.938 4.470 -0.000 0.000 0.211 54 S C 1.288 175.877 174.600 -0.019 0.000 1.029 54 S CA 1.057 59.250 58.200 -0.012 0.000 0.956 54 S CB 0.158 63.357 63.200 -0.001 0.000 0.918 54 S HN 0.820 nan 8.310 nan 0.000 0.470 55 L N -1.277 119.932 121.223 -0.023 0.000 1.229 55 L HA 0.233 4.573 4.340 -0.000 0.000 0.087 55 L C 1.587 178.439 176.870 -0.029 0.000 1.452 55 L CA 1.085 55.904 54.840 -0.035 0.000 1.181 55 L CB -1.212 40.836 42.059 -0.019 0.000 2.375 55 L HN 0.267 nan 8.230 nan 0.000 0.454 56 A N 0.256 123.078 122.820 0.003 0.000 1.972 56 A HA -0.171 4.149 4.320 -0.000 0.000 0.219 56 A C 1.885 179.478 177.584 0.015 0.000 1.169 56 A CA 2.121 54.176 52.037 0.030 0.000 0.635 56 A CB -0.558 18.473 19.000 0.052 0.000 0.810 56 A HN 0.739 nan 8.150 nan 0.000 0.446 57 Q N -0.717 119.085 119.800 0.002 0.000 2.123 57 Q HA -0.110 4.230 4.340 -0.000 0.000 0.199 57 Q C 2.331 178.313 176.000 -0.031 0.000 0.966 57 Q CA 1.281 57.084 55.803 -0.000 0.000 0.845 57 Q CB -0.145 28.592 28.738 -0.002 0.000 0.907 57 Q HN 0.635 nan 8.270 nan 0.000 0.439 58 R N 0.460 120.926 120.500 -0.055 0.000 2.075 58 R HA -0.060 4.280 4.340 -0.000 0.000 0.232 58 R C 1.836 178.053 176.300 -0.138 0.000 1.126 58 R CA 1.098 57.148 56.100 -0.084 0.000 0.963 58 R CB -0.302 29.939 30.300 -0.097 0.000 0.858 58 R HN 0.263 nan 8.270 nan 0.000 0.435 59 N N 1.130 119.707 118.700 -0.205 0.000 2.058 59 N HA -0.167 4.573 4.740 -0.000 0.000 0.191 59 N C 1.701 176.830 175.510 -0.635 0.000 1.037 59 N CA 1.202 53.944 53.050 -0.513 0.000 0.848 59 N CB -0.342 37.899 38.487 -0.409 0.000 1.021 59 N HN 0.157 nan 8.380 nan 0.000 0.422 60 E N 0.923 121.019 120.200 -0.173 0.000 2.086 60 E HA -0.193 4.157 4.350 -0.000 0.000 0.200 60 E C 1.983 178.610 176.600 0.044 0.000 1.012 60 E CA 1.284 57.746 56.400 0.104 0.000 0.812 60 E CB -0.246 29.527 29.700 0.122 0.000 0.743 60 E HN 0.352 nan 8.360 nan 0.000 0.453 61 M N -0.997 118.578 119.600 -0.042 0.000 2.132 61 M HA -0.134 4.346 4.480 -0.000 0.000 0.263 61 M C 1.924 178.165 176.300 -0.099 0.000 1.065 61 M CA 1.455 56.711 55.300 -0.075 0.000 1.122 61 M CB -0.181 32.382 32.600 -0.061 0.000 1.365 61 M HN 0.236 nan 8.290 nan 0.000 0.411 62 F N 1.027 120.829 119.950 -0.246 0.000 2.069 62 F HA -0.248 4.279 4.527 -0.000 0.000 0.298 62 F C 1.517 177.247 175.800 -0.117 0.000 1.113 62 F CA 1.836 59.699 58.000 -0.229 0.000 1.214 62 F CB -0.690 38.104 39.000 -0.342 0.000 0.978 62 F HN 0.134 nan 8.300 nan 0.000 0.474 63 F N 0.254 120.149 119.950 -0.093 0.000 2.154 63 F HA -0.296 4.231 4.527 -0.000 0.000 0.301 63 F C 2.630 178.401 175.800 -0.048 0.000 1.087 63 F CA 1.636 59.596 58.000 -0.067 0.000 1.274 63 F CB -1.420 37.701 39.000 0.201 0.000 1.009 63 F HN 0.136 nan 8.300 nan 0.000 0.485 64 M N -0.617 119.004 119.600 0.034 0.000 2.067 64 M HA -0.247 4.233 4.480 -0.000 0.000 0.260 64 M C 2.318 178.451 176.300 -0.278 0.000 1.069 64 M CA 2.136 57.247 55.300 -0.314 0.000 1.117 64 M CB -0.563 31.608 32.600 -0.715 0.000 1.334 64 M HN 0.213 nan 8.290 nan 0.000 0.407 65 C N 0.451 119.568 119.300 -0.305 0.000 2.413 65 C HA -0.155 4.305 4.460 -0.000 0.000 0.276 65 C C 2.593 177.423 174.990 -0.266 0.000 1.248 65 C CA 0.755 59.606 59.018 -0.278 0.000 1.742 65 C CB -1.491 26.063 27.740 -0.309 0.000 2.017 65 C HN 0.713 nan 8.230 nan 0.000 0.481 66 L N 1.500 122.480 121.223 -0.405 0.000 2.012 66 L HA -0.145 4.195 4.340 -0.000 0.000 0.210 66 L C 2.087 178.920 176.870 -0.062 0.000 1.073 66 L CA 2.106 56.749 54.840 -0.328 0.000 0.748 66 L CB -1.037 40.715 42.059 -0.511 0.000 0.891 66 L HN 0.245 nan 8.230 nan 0.000 0.431 67 D N -0.782 119.672 120.400 0.089 0.000 2.104 67 D HA -0.220 4.420 4.640 -0.000 0.000 0.194 67 D C 2.244 178.614 176.300 0.118 0.000 0.994 67 D CA 1.882 56.009 54.000 0.211 0.000 0.830 67 D CB -0.101 40.908 40.800 0.348 0.000 0.959 67 D HN 0.402 nan 8.370 nan 0.000 0.452 68 M N -0.413 119.221 119.600 0.057 0.000 2.175 68 M HA -0.121 4.359 4.480 -0.000 0.000 0.264 68 M C 2.226 178.528 176.300 0.003 0.000 1.063 68 M CA 0.870 56.188 55.300 0.030 0.000 1.119 68 M CB -0.191 32.398 32.600 -0.017 0.000 1.377 68 M HN 0.043 nan 8.290 nan 0.000 0.415 69 M N 1.113 120.697 119.600 -0.027 0.000 2.086 69 M HA -0.178 4.302 4.480 -0.000 0.000 0.261 69 M C 1.952 178.247 176.300 -0.009 0.000 1.067 69 M CA 1.972 57.255 55.300 -0.028 0.000 1.116 69 M CB -0.647 31.924 32.600 -0.049 0.000 1.348 69 M HN 0.287 nan 8.290 nan 0.000 0.407 70 L N -0.626 120.601 121.223 0.007 0.000 1.994 70 L HA -0.207 4.133 4.340 -0.000 0.000 0.208 70 L C 2.472 179.356 176.870 0.024 0.000 1.071 70 L CA 1.441 56.294 54.840 0.022 0.000 0.745 70 L CB -1.123 40.969 42.059 0.056 0.000 0.892 70 L HN 0.280 nan 8.230 nan 0.000 0.431 71 S N 0.120 115.843 115.700 0.038 0.000 2.374 71 S HA -0.244 4.226 4.470 -0.000 0.000 0.227 71 S C 2.172 176.781 174.600 0.014 0.000 1.037 71 S CA 1.431 59.652 58.200 0.034 0.000 1.024 71 S CB -0.379 62.852 63.200 0.052 0.000 0.861 71 S HN 0.516 nan 8.310 nan 0.000 0.456 72 A N 1.021 123.844 122.820 0.004 0.000 1.933 72 A HA 0.168 4.488 4.320 -0.000 0.000 0.218 72 A C 2.193 179.766 177.584 -0.018 0.000 1.175 72 A CA 1.618 53.648 52.037 -0.012 0.000 0.628 72 A CB -0.734 18.253 19.000 -0.021 0.000 0.814 72 A HN 0.535 nan 8.150 nan 0.000 0.444 73 A N -1.899 120.912 122.820 -0.015 0.000 2.218 73 A HA 0.418 4.738 4.320 -0.000 0.000 0.209 73 A C 1.765 179.342 177.584 -0.012 0.000 1.168 73 A CA 1.158 53.184 52.037 -0.019 0.000 0.804 73 A CB -0.845 18.143 19.000 -0.020 0.000 0.834 73 A HN 1.885 nan 8.150 nan 0.000 0.482 74 G N -0.488 108.310 108.800 -0.003 0.000 2.176 74 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.252 74 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.252 74 G C 0.001 174.903 174.900 0.003 0.000 1.024 74 G CA 0.422 45.522 45.100 0.001 0.000 0.755 74 G HN 0.488 nan 8.290 nan 0.000 0.507 75 I N 0.530 121.104 120.570 0.006 0.000 2.331 75 I HA 0.220 4.390 4.170 -0.000 0.000 0.292 75 I C 0.568 176.697 176.117 0.020 0.000 0.998 75 I CA -0.457 60.848 61.300 0.008 0.000 1.267 75 I CB 1.479 39.480 38.000 0.002 0.000 1.386 75 I HN 0.233 nan 8.210 nan 0.000 0.476 76 N N 6.137 124.847 118.700 0.017 0.000 2.707 76 N HA 0.162 4.902 4.740 -0.000 0.000 0.235 76 N C 1.036 176.562 175.510 0.026 0.000 1.028 76 N CA -0.376 52.688 53.050 0.022 0.000 0.906 76 N CB 1.211 39.704 38.487 0.010 0.000 1.131 76 N HN 0.586 nan 8.380 nan 0.000 0.509 77 V N 1.787 121.728 119.914 0.045 0.000 2.392 77 V HA 0.123 4.243 4.120 -0.000 0.000 0.249 77 V C 1.288 177.413 176.094 0.050 0.000 1.059 77 V CA 1.348 63.678 62.300 0.050 0.000 1.051 77 V CB -1.626 30.245 31.823 0.080 0.000 0.658 77 V HN 0.782 nan 8.190 nan 0.000 0.455 78 G N 0.904 109.732 108.800 0.047 0.000 2.660 78 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.215 78 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.215 78 G C -2.360 172.575 174.900 0.059 0.000 1.345 78 G CA -0.254 44.867 45.100 0.035 0.000 0.877 78 G HN 0.722 nan 8.290 nan 0.000 0.549 79 P HA 0.279 nan 4.420 nan 0.000 0.266 79 P C 0.945 178.373 177.300 0.214 0.000 1.419 79 P CA 0.590 63.758 63.100 0.114 0.000 1.112 79 P CB -0.559 31.190 31.700 0.082 0.000 1.438 80 I N -0.103 120.579 120.570 0.186 0.000 4.288 80 I HA 0.331 4.501 4.170 -0.000 0.000 0.331 80 I C 0.214 176.302 176.117 -0.048 0.000 1.322 80 I CA -0.255 61.145 61.300 0.166 0.000 1.149 80 I CB 0.633 38.707 38.000 0.123 0.000 1.112 80 I HN 0.141 nan 8.210 nan 0.000 0.403 81 S N 1.423 117.064 115.700 -0.098 0.000 2.541 81 S HA 0.556 5.026 4.470 -0.000 0.000 0.271 81 S C -2.336 172.175 174.600 -0.149 0.000 1.133 81 S CA -0.889 57.170 58.200 -0.235 0.000 0.876 81 S CB 1.922 65.186 63.200 0.108 0.000 1.105 81 S HN 0.023 nan 8.310 nan 0.000 0.470 82 P HA 0.179 nan 4.420 nan 0.000 0.235 82 P C 0.074 177.386 177.300 0.020 0.000 1.177 82 P CA 0.580 63.696 63.100 0.026 0.000 0.785 82 P CB 0.268 32.016 31.700 0.081 0.000 0.885 83 D N -1.261 119.164 120.400 0.040 0.000 2.259 83 D HA -0.007 4.633 4.640 -0.000 0.000 0.216 83 D C 0.523 176.714 176.300 -0.183 0.000 0.961 83 D CA 0.645 54.668 54.000 0.039 0.000 0.878 83 D CB -0.306 40.631 40.800 0.230 0.000 1.009 83 D HN 0.208 nan 8.370 nan 0.000 0.490 84 Y N 0.959 121.014 120.300 -0.408 0.000 2.420 84 Y HA 0.433 4.983 4.550 -0.000 0.000 0.334 84 Y C -0.907 174.788 175.900 -0.342 0.000 1.094 84 Y CA -0.170 57.506 58.100 -0.705 0.000 1.126 84 Y CB 1.769 39.716 38.460 -0.855 0.000 1.217 84 Y HN -0.351 nan 8.280 nan 0.000 0.462 85 T N 6.180 120.041 114.554 -1.155 0.000 3.170 85 T HA 0.116 4.466 4.350 -0.000 0.000 0.315 85 T C -1.196 172.849 174.700 -1.091 0.000 0.967 85 T CA -0.736 60.872 62.100 -0.819 0.000 1.024 85 T CB 1.061 69.674 68.868 -0.425 0.000 1.018 85 T HN 0.732 nan 8.240 nan 0.000 0.449 86 Q N 3.143 122.406 119.800 -0.896 0.000 2.247 86 Q HA -0.024 4.316 4.340 -0.000 0.000 0.288 86 Q C -0.450 175.411 176.000 -0.232 0.000 1.079 86 Q CA 0.152 55.699 55.803 -0.427 0.000 0.932 86 Q CB 0.362 29.084 28.738 -0.028 0.000 1.133 86 Q HN 0.583 nan 8.270 nan 0.000 0.377 87 H N 6.240 125.204 119.070 -0.177 0.000 2.604 87 H HA 0.070 4.626 4.556 -0.000 0.000 0.306 87 H C 0.614 175.902 175.328 -0.066 0.000 1.075 87 H CA -0.312 55.657 56.048 -0.130 0.000 1.357 87 H CB 1.050 30.723 29.762 -0.148 0.000 1.426 87 H HN 0.806 nan 8.280 nan 0.000 0.470 88 M N 3.629 123.273 119.600 0.074 0.000 2.175 88 M HA -0.072 4.408 4.480 -0.000 0.000 0.264 88 M C 2.256 178.635 176.300 0.132 0.000 1.063 88 M CA 1.199 56.547 55.300 0.080 0.000 1.119 88 M CB -1.378 31.220 32.600 -0.002 0.000 1.377 88 M HN 0.701 nan 8.290 nan 0.000 0.415 89 A N -0.059 122.906 122.820 0.241 0.000 2.131 89 A HA -0.138 4.182 4.320 -0.000 0.000 0.220 89 A C 2.211 179.798 177.584 0.004 0.000 1.158 89 A CA 1.922 54.008 52.037 0.081 0.000 0.665 89 A CB -1.168 17.845 19.000 0.022 0.000 0.795 89 A HN 0.514 nan 8.150 nan 0.000 0.460 90 T N 0.263 114.834 114.554 0.027 0.000 2.680 90 T HA -0.261 4.089 4.350 -0.000 0.000 0.268 90 T C 1.736 176.475 174.700 0.065 0.000 1.033 90 T CA 1.760 63.896 62.100 0.061 0.000 1.152 90 T CB -0.439 68.521 68.868 0.154 0.000 0.859 90 T HN 0.517 nan 8.240 nan 0.000 0.452 91 I N 1.502 122.103 120.570 0.052 0.000 2.194 91 I HA -0.110 4.060 4.170 -0.000 0.000 0.246 91 I C 2.478 178.612 176.117 0.029 0.000 1.093 91 I CA 1.671 62.994 61.300 0.038 0.000 1.355 91 I CB -0.831 37.187 38.000 0.029 0.000 1.046 91 I HN 0.259 nan 8.210 nan 0.000 0.413 92 G N -0.542 108.270 108.800 0.020 0.000 2.408 92 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.217 92 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.217 92 G C 1.644 176.553 174.900 0.016 0.000 1.150 92 G CA 1.006 46.113 45.100 0.011 0.000 0.776 92 G HN 0.377 nan 8.290 nan 0.000 0.542 93 V N 0.910 120.836 119.914 0.020 0.000 2.469 93 V HA -0.103 4.017 4.120 -0.000 0.000 0.251 93 V C 2.672 178.801 176.094 0.058 0.000 1.064 93 V CA 0.990 63.316 62.300 0.043 0.000 1.066 93 V CB -0.318 31.559 31.823 0.090 0.000 0.667 93 V HN 0.204 nan 8.190 nan 0.000 0.461 94 L N 0.035 121.291 121.223 0.055 0.000 2.249 94 L HA 0.215 4.555 4.340 -0.000 0.000 0.207 94 L C 2.537 179.433 176.870 0.045 0.000 1.090 94 L CA 1.790 56.661 54.840 0.052 0.000 0.802 94 L CB -1.736 40.348 42.059 0.042 0.000 0.947 94 L HN 0.337 nan 8.230 nan 0.000 0.453 95 A N -0.830 122.010 122.820 0.033 0.000 2.216 95 A HA -0.040 4.280 4.320 -0.000 0.000 0.214 95 A C 0.962 178.567 177.584 0.036 0.000 1.160 95 A CA 0.494 52.548 52.037 0.029 0.000 0.725 95 A CB -0.923 18.088 19.000 0.019 0.000 0.784 95 A HN 0.377 nan 8.150 nan 0.000 0.472 96 T N 2.169 116.747 114.554 0.040 0.000 2.779 96 T HA 0.271 4.621 4.350 -0.000 0.000 0.296 96 T C -1.447 173.287 174.700 0.056 0.000 0.938 96 T CA -0.827 61.297 62.100 0.039 0.000 1.119 96 T CB 1.135 70.023 68.868 0.034 0.000 0.891 96 T HN 0.260 nan 8.240 nan 0.000 0.526 97 P HA -0.081 nan 4.420 nan 0.000 0.225 97 P C 0.832 178.161 177.300 0.049 0.000 1.148 97 P CA 0.830 63.971 63.100 0.069 0.000 0.779 97 P CB 0.338 32.068 31.700 0.051 0.000 0.780 98 E N -0.113 120.107 120.200 0.033 0.000 2.265 98 E HA -0.039 4.311 4.350 -0.000 0.000 0.196 98 E C 0.858 177.468 176.600 0.015 0.000 0.996 98 E CA 0.444 56.854 56.400 0.016 0.000 0.832 98 E CB -0.295 29.413 29.700 0.014 0.000 0.756 98 E HN 0.377 nan 8.360 nan 0.000 0.491 99 I N 3.118 123.713 120.570 0.042 0.000 2.342 99 I HA 0.172 4.342 4.170 -0.000 0.000 0.291 99 I C -2.005 174.140 176.117 0.046 0.000 1.010 99 I CA -2.305 59.022 61.300 0.046 0.000 1.308 99 I CB 0.734 38.776 38.000 0.071 0.000 1.400 99 I HN -0.133 nan 8.210 nan 0.000 0.488 100 P HA 0.346 nan 4.420 nan 0.000 0.276 100 P C -1.210 176.061 177.300 -0.048 0.000 1.261 100 P CA -0.131 62.870 63.100 -0.165 0.000 0.800 100 P CB 0.960 32.562 31.700 -0.164 0.000 1.066 101 F N -3.012 116.937 119.950 -0.001 0.000 2.601 101 F HA 0.547 5.074 4.527 -0.000 0.000 0.309 101 F C 0.119 175.918 175.800 -0.000 0.000 1.089 101 F CA -1.166 56.833 58.000 -0.001 0.000 0.940 101 F CB 0.259 39.259 39.000 0.000 0.000 1.273 101 F HN 0.275 nan 8.300 nan 0.000 0.450 102 T N -1.742 112.940 114.554 0.214 0.000 2.802 102 T HA 0.199 4.549 4.350 -0.000 0.000 0.305 102 T C 0.882 175.695 174.700 0.189 0.000 1.053 102 T CA 0.176 62.354 62.100 0.129 0.000 1.058 102 T CB 0.943 69.863 68.868 0.086 0.000 0.988 102 T HN 0.757 nan 8.240 nan 0.000 0.539 103 T N 1.417 116.036 114.554 0.108 0.000 2.674 103 T HA -0.106 4.244 4.350 -0.000 0.000 0.265 103 T C 1.865 176.626 174.700 0.101 0.000 1.039 103 T CA 1.786 63.950 62.100 0.105 0.000 1.150 103 T CB -0.507 68.394 68.868 0.055 0.000 0.864 103 T HN 0.760 nan 8.240 nan 0.000 0.427 104 E N 1.621 121.866 120.200 0.075 0.000 2.086 104 E HA -0.141 4.209 4.350 -0.000 0.000 0.200 104 E C 2.399 179.041 176.600 0.071 0.000 1.012 104 E CA 1.403 57.840 56.400 0.061 0.000 0.812 104 E CB -0.774 28.956 29.700 0.050 0.000 0.743 104 E HN 0.509 nan 8.360 nan 0.000 0.453 105 A N 1.079 123.951 122.820 0.087 0.000 1.859 105 A HA -0.219 4.101 4.320 -0.000 0.000 0.217 105 A C 2.433 180.029 177.584 0.020 0.000 1.198 105 A CA 2.647 54.722 52.037 0.064 0.000 0.629 105 A CB -1.220 17.838 19.000 0.096 0.000 0.830 105 A HN 0.320 nan 8.150 nan 0.000 0.446 106 A N -0.117 122.729 122.820 0.044 0.000 1.883 106 A HA -0.222 4.098 4.320 -0.000 0.000 0.217 106 A C 1.975 179.564 177.584 0.008 0.000 1.186 106 A CA 1.696 53.720 52.037 -0.021 0.000 0.624 106 A CB -0.794 18.262 19.000 0.093 0.000 0.822 106 A HN 0.680 nan 8.150 nan 0.000 0.444 107 N N -0.448 118.277 118.700 0.043 0.000 2.223 107 N HA -0.149 4.591 4.740 -0.000 0.000 0.185 107 N C 1.671 177.210 175.510 0.049 0.000 1.016 107 N CA 1.466 54.537 53.050 0.036 0.000 0.863 107 N CB -0.188 38.319 38.487 0.032 0.000 0.983 107 N HN 0.660 nan 8.380 nan 0.000 0.429 108 E N 0.685 120.929 120.200 0.073 0.000 2.047 108 E HA -0.070 4.280 4.350 -0.000 0.000 0.191 108 E C 1.979 178.666 176.600 0.146 0.000 0.987 108 E CA 0.583 57.077 56.400 0.156 0.000 0.799 108 E CB 0.122 29.918 29.700 0.160 0.000 0.752 108 E HN 0.244 nan 8.360 nan 0.000 0.449 109 I N 1.196 121.790 120.570 0.040 0.000 2.252 109 I HA -0.181 3.989 4.170 -0.000 0.000 0.245 109 I C 2.495 178.610 176.117 -0.002 0.000 1.102 109 I CA 0.973 62.266 61.300 -0.012 0.000 1.385 109 I CB -1.356 36.596 38.000 -0.080 0.000 1.064 109 I HN 0.008 nan 8.210 nan 0.000 0.414 110 A N 0.639 123.460 122.820 0.000 0.000 1.972 110 A HA -0.235 4.085 4.320 -0.000 0.000 0.219 110 A C 2.422 180.018 177.584 0.020 0.000 1.169 110 A CA 1.688 53.724 52.037 -0.001 0.000 0.635 110 A CB -0.479 18.521 19.000 0.000 0.000 0.810 110 A HN 0.275 nan 8.150 nan 0.000 0.446 111 R N -0.134 120.403 120.500 0.062 0.000 2.062 111 R HA -0.036 4.304 4.340 -0.000 0.000 0.231 111 R C 1.930 178.305 176.300 0.126 0.000 1.136 111 R CA 1.961 58.115 56.100 0.090 0.000 0.948 111 R CB -1.190 29.181 30.300 0.118 0.000 0.845 111 R HN 0.223 nan 8.270 nan 0.000 0.430 112 V N 0.394 120.404 119.914 0.161 0.000 2.214 112 V HA -0.324 3.796 4.120 -0.000 0.000 0.247 112 V C 2.100 178.192 176.094 -0.004 0.000 1.051 112 V CA 2.634 64.971 62.300 0.060 0.000 1.003 112 V CB -0.956 30.832 31.823 -0.058 0.000 0.635 112 V HN 0.510 nan 8.190 nan 0.000 0.447 113 T N 0.095 114.634 114.554 -0.025 0.000 2.778 113 T HA -0.154 4.196 4.350 -0.000 0.000 0.269 113 T C 1.810 176.478 174.700 -0.053 0.000 1.050 113 T CA 1.429 63.499 62.100 -0.049 0.000 1.137 113 T CB -0.781 68.057 68.868 -0.050 0.000 0.860 113 T HN 0.659 nan 8.240 nan 0.000 0.468 114 G N 2.346 111.127 108.800 -0.031 0.000 2.552 114 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.216 114 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.216 114 G C 1.453 176.315 174.900 -0.063 0.000 1.240 114 G CA 1.369 46.446 45.100 -0.037 0.000 0.796 114 G HN 0.701 nan 8.290 nan 0.000 0.568 115 E N -0.802 119.370 120.200 -0.046 0.000 2.107 115 E HA 0.002 4.352 4.350 -0.000 0.000 0.191 115 E C 2.197 178.712 176.600 -0.141 0.000 0.982 115 E CA 1.450 57.806 56.400 -0.073 0.000 0.809 115 E CB -0.995 28.693 29.700 -0.020 0.000 0.756 115 E HN 0.225 nan 8.360 nan 0.000 0.459 116 T N -0.193 114.293 114.554 -0.113 0.000 2.946 116 T HA -0.115 4.235 4.350 -0.000 0.000 0.271 116 T C 1.648 176.209 174.700 -0.231 0.000 1.104 116 T CA 1.520 63.533 62.100 -0.144 0.000 1.114 116 T CB -0.359 68.452 68.868 -0.094 0.000 0.867 116 T HN 0.474 nan 8.240 nan 0.000 0.513 117 S N -1.522 114.028 115.700 -0.250 0.000 2.502 117 S HA 0.225 4.695 4.470 -0.000 0.000 0.215 117 S C 0.982 175.263 174.600 -0.531 0.000 1.009 117 S CA -0.217 57.797 58.200 -0.309 0.000 0.908 117 S CB 0.452 63.541 63.200 -0.185 0.000 0.801 117 S HN 0.318 nan 8.310 nan 0.000 0.505 118 T N 0.085 114.310 114.554 -0.549 0.000 2.724 118 T HA 0.591 4.941 4.350 -0.000 0.000 0.274 118 T C -1.654 172.607 174.700 -0.731 0.000 0.984 118 T CA -0.871 60.823 62.100 -0.676 0.000 1.024 118 T CB 0.919 69.670 68.868 -0.196 0.000 1.320 118 T HN 0.427 nan 8.240 nan 0.000 0.555 119 W N -0.624 120.674 121.300 -0.004 0.000 3.164 119 W HA 0.686 5.346 4.660 -0.000 0.000 0.325 119 W C 0.138 176.653 176.519 -0.008 0.000 1.228 119 W CA -0.939 56.402 57.345 -0.007 0.000 1.024 119 W CB 1.262 30.715 29.460 -0.011 0.000 1.534 119 W HN 1.027 nan 8.180 nan 0.000 0.614 120 G N 0.776 109.729 108.800 0.255 0.000 2.387 120 G HA2 0.371 4.331 3.960 -0.000 0.000 0.294 120 G HA3 0.371 4.331 3.960 -0.000 0.000 0.294 120 G C -3.154 171.798 174.900 0.086 0.000 1.509 120 G CA -0.939 44.239 45.100 0.130 0.000 0.806 120 G HN 0.028 nan 8.290 nan 0.000 0.546 121 P HA 0.484 nan 4.420 nan 0.000 0.271 121 P C -0.478 176.823 177.300 0.001 0.000 1.226 121 P CA 0.119 63.237 63.100 0.030 0.000 0.765 121 P CB 1.563 33.287 31.700 0.041 0.000 0.835 122 A N 3.865 126.668 122.820 -0.028 0.000 2.437 122 A HA 0.388 4.708 4.320 -0.000 0.000 0.293 122 A C -0.056 177.446 177.584 -0.136 0.000 1.038 122 A CA -0.904 51.090 52.037 -0.073 0.000 0.708 122 A CB 1.181 20.144 19.000 -0.060 0.000 1.251 122 A HN 0.441 nan 8.150 nan 0.000 0.409 123 R N 2.196 122.594 120.500 -0.170 0.000 2.507 123 R HA 0.035 4.375 4.340 -0.000 0.000 0.341 123 R C 0.002 176.143 176.300 -0.265 0.000 0.960 123 R CA 0.214 56.173 56.100 -0.236 0.000 1.032 123 R CB 0.206 30.299 30.300 -0.344 0.000 0.933 123 R HN 0.709 nan 8.270 nan 0.000 0.418 124 Q N 4.377 123.941 119.800 -0.394 0.000 2.421 124 Q HA 0.015 4.355 4.340 -0.000 0.000 0.255 124 Q C -1.203 174.629 176.000 -0.279 0.000 1.013 124 Q CA -1.072 54.472 55.803 -0.431 0.000 0.895 124 Q CB 0.549 28.783 28.738 -0.840 0.000 1.271 124 Q HN 0.501 nan 8.270 nan 0.000 0.460 125 P HA -0.137 nan 4.420 nan 0.000 0.214 125 P C -0.148 176.921 177.300 -0.384 0.000 1.162 125 P CA 1.614 64.415 63.100 -0.497 0.000 0.874 125 P CB 0.192 31.325 31.700 -0.946 0.000 0.784 126 Y N -0.249 120.139 120.300 0.147 0.000 2.593 126 Y HA 0.593 5.143 4.550 -0.000 0.000 0.330 126 Y C 1.649 177.708 175.900 0.266 0.000 1.223 126 Y CA -1.129 57.077 58.100 0.176 0.000 1.350 126 Y CB -0.611 37.937 38.460 0.146 0.000 1.499 126 Y HN -0.126 nan 8.280 nan 0.000 0.554 127 G N -0.279 108.764 108.800 0.406 0.000 2.491 127 G HA2 0.034 3.994 3.960 -0.000 0.000 0.238 127 G HA3 0.034 3.994 3.960 -0.000 0.000 0.238 127 G C 0.292 175.342 174.900 0.250 0.000 1.277 127 G CA -0.220 45.078 45.100 0.330 0.000 0.851 127 G HN 0.657 nan 8.290 nan 0.000 0.573 128 F N 1.583 121.482 119.950 -0.084 0.000 2.046 128 F HA -0.026 4.501 4.527 -0.000 0.000 0.297 128 F C 1.595 177.144 175.800 -0.419 0.000 1.123 128 F CA 1.134 58.804 58.000 -0.550 0.000 1.199 128 F CB -0.173 38.330 39.000 -0.828 0.000 0.972 128 F HN 0.327 nan 8.300 nan 0.000 0.474 129 F N 0.649 120.816 119.950 0.363 0.000 2.833 129 F HA 0.182 4.709 4.527 -0.000 0.000 0.327 129 F C 1.155 177.038 175.800 0.138 0.000 1.184 129 F CA -0.216 57.923 58.000 0.231 0.000 1.328 129 F CB -0.455 38.630 39.000 0.142 0.000 1.440 129 F HN -0.012 nan 8.300 nan 0.000 0.569 130 L N 0.206 121.562 121.223 0.222 0.000 2.162 130 L HA 0.093 4.433 4.340 -0.000 0.000 0.205 130 L C 1.467 178.412 176.870 0.126 0.000 1.086 130 L CA 1.531 56.470 54.840 0.164 0.000 0.778 130 L CB -0.143 42.002 42.059 0.145 0.000 0.928 130 L HN 0.147 nan 8.230 nan 0.000 0.446 131 E N 0.762 121.036 120.200 0.123 0.000 2.422 131 E HA 0.083 4.433 4.350 -0.000 0.000 0.267 131 E C -0.305 176.360 176.600 0.109 0.000 1.466 131 E CA 0.018 56.477 56.400 0.097 0.000 1.767 131 E CB -0.435 29.312 29.700 0.078 0.000 1.471 131 E HN 0.452 nan 8.360 nan 0.000 0.446 132 T N -2.860 111.766 114.554 0.121 0.000 2.824 132 T HA 0.265 4.615 4.350 -0.000 0.000 0.280 132 T C 0.802 175.537 174.700 0.059 0.000 0.995 132 T CA -0.826 61.339 62.100 0.108 0.000 1.009 132 T CB 2.002 70.951 68.868 0.134 0.000 0.955 132 T HN 0.038 nan 8.240 nan 0.000 0.452 133 E N 1.268 121.492 120.200 0.040 0.000 2.190 133 E HA 0.044 4.394 4.350 -0.000 0.000 0.191 133 E C 0.115 176.706 176.600 -0.015 0.000 0.978 133 E CA 0.580 56.988 56.400 0.013 0.000 0.839 133 E CB 0.347 30.054 29.700 0.011 0.000 0.787 133 E HN 0.748 nan 8.360 nan 0.000 0.473 134 E N 0.377 120.570 120.200 -0.013 0.000 2.238 134 E HA 0.386 4.736 4.350 -0.000 0.000 0.267 134 E C -0.796 175.781 176.600 -0.038 0.000 0.887 134 E CA -0.417 55.942 56.400 -0.068 0.000 0.769 134 E CB 2.442 32.106 29.700 -0.060 0.000 1.187 134 E HN -0.177 nan 8.360 nan 0.000 0.416 135 T N 1.494 115.963 114.554 -0.141 0.000 2.903 135 T HA 0.639 4.989 4.350 -0.000 0.000 0.299 135 T C -1.719 172.853 174.700 -0.214 0.000 1.093 135 T CA -0.569 61.509 62.100 -0.036 0.000 1.002 135 T CB 0.553 69.405 68.868 -0.027 0.000 1.127 135 T HN 0.279 nan 8.240 nan 0.000 0.488 136 F N 1.670 121.525 119.950 -0.158 0.000 2.556 136 F HA 0.537 5.064 4.527 -0.000 0.000 0.327 136 F C 0.554 176.303 175.800 -0.086 0.000 1.059 136 F CA -1.013 56.895 58.000 -0.154 0.000 0.953 136 F CB 1.682 40.532 39.000 -0.251 0.000 1.227 136 F HN 0.525 nan 8.300 nan 0.000 0.478 137 Q N 4.690 124.557 119.800 0.112 0.000 2.274 137 Q HA 0.142 4.482 4.340 -0.000 0.000 0.280 137 Q C -2.404 173.657 176.000 0.102 0.000 1.047 137 Q CA -1.635 54.220 55.803 0.088 0.000 0.907 137 Q CB 0.721 29.513 28.738 0.090 0.000 1.171 137 Q HN 0.178 nan 8.270 nan 0.000 0.381 138 P HA 0.050 nan 4.420 nan 0.000 0.271 138 P C 0.302 177.657 177.300 0.092 0.000 1.226 138 P CA 0.936 64.075 63.100 0.065 0.000 0.765 138 P CB 1.004 32.736 31.700 0.054 0.000 0.835 139 G N 3.049 111.908 108.800 0.098 0.000 2.241 139 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.244 139 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.244 139 G C 0.360 175.407 174.900 0.246 0.000 0.998 139 G CA 0.014 45.213 45.100 0.165 0.000 0.621 139 G HN 0.754 nan 8.290 nan 0.000 0.519 140 R N 0.768 121.393 120.500 0.210 0.000 2.265 140 R HA 0.399 4.739 4.340 -0.000 0.000 0.314 140 R C 0.727 177.218 176.300 0.318 0.000 1.053 140 R CA -0.764 55.503 56.100 0.279 0.000 0.931 140 R CB 0.225 30.666 30.300 0.234 0.000 1.024 140 R HN 0.304 nan 8.270 nan 0.000 0.457 141 W N 6.589 128.026 121.300 0.229 0.000 2.148 141 W HA 0.123 4.783 4.660 -0.000 0.000 0.347 141 W C -1.523 175.128 176.519 0.221 0.000 1.288 141 W CA 0.225 57.677 57.345 0.178 0.000 1.252 141 W CB 0.442 30.040 29.460 0.229 0.000 1.156 141 W HN 0.575 nan 8.180 nan 0.000 0.580 142 F N 7.361 126.972 119.950 -0.566 0.000 2.911 142 F HA 0.249 4.776 4.527 -0.000 0.000 0.349 142 F C -1.656 173.780 175.800 -0.606 0.000 1.222 142 F CA -0.972 56.822 58.000 -0.344 0.000 1.164 142 F CB 0.544 39.435 39.000 -0.182 0.000 1.454 142 F HN 0.172 nan 8.300 nan 0.000 0.616 143 M N 6.985 126.206 119.600 -0.632 0.000 2.078 143 M HA 0.480 4.960 4.480 -0.000 0.000 0.320 143 M C -0.570 175.511 176.300 -0.365 0.000 0.969 143 M CA -0.402 54.667 55.300 -0.384 0.000 0.929 143 M CB 1.067 33.625 32.600 -0.070 0.000 1.504 143 M HN 0.624 nan 8.290 nan 0.000 0.419 144 R N 3.147 123.549 120.500 -0.163 0.000 2.643 144 R HA 0.594 4.934 4.340 -0.000 0.000 0.270 144 R C -0.373 175.889 176.300 -0.064 0.000 1.061 144 R CA 0.149 56.217 56.100 -0.053 0.000 1.107 144 R CB 0.602 30.957 30.300 0.092 0.000 0.999 144 R HN 0.899 nan 8.270 nan 0.000 0.460 145 A N 3.128 125.921 122.820 -0.044 0.000 2.566 145 A HA 0.301 4.621 4.320 -0.000 0.000 0.245 145 A C 1.096 178.672 177.584 -0.013 0.000 1.056 145 A CA 0.848 52.870 52.037 -0.027 0.000 0.757 145 A CB -0.455 18.538 19.000 -0.012 0.000 0.979 145 A HN 1.405 nan 8.150 nan 0.000 0.508 146 A N 1.802 124.615 122.820 -0.011 0.000 3.250 146 A HA -0.160 4.160 4.320 -0.000 0.000 0.256 146 A C 0.293 177.871 177.584 -0.011 0.000 1.231 146 A CA 1.522 53.555 52.037 -0.007 0.000 1.193 146 A CB -2.342 16.656 19.000 -0.004 0.000 1.149 146 A HN 0.975 nan 8.150 nan 0.000 0.930 147 Q N -1.815 117.974 119.800 -0.020 0.000 2.342 147 Q HA 0.713 5.053 4.340 -0.000 0.000 0.267 147 Q C 0.994 176.978 176.000 -0.027 0.000 1.038 147 Q CA 0.023 55.807 55.803 -0.031 0.000 0.832 147 Q CB 1.861 30.569 28.738 -0.051 0.000 1.323 147 Q HN 0.889 nan 8.270 nan 0.000 0.448 148 A N 1.232 124.035 122.820 -0.028 0.000 2.095 148 A HA 0.465 4.785 4.320 -0.000 0.000 0.212 148 A C 0.460 178.013 177.584 -0.051 0.000 1.162 148 A CA 0.743 52.772 52.037 -0.013 0.000 0.753 148 A CB 0.498 19.494 19.000 -0.008 0.000 0.840 148 A HN 0.590 nan 8.150 nan 0.000 0.468 149 A N -0.344 122.419 122.820 -0.094 0.000 2.375 149 A HA 0.615 4.935 4.320 -0.000 0.000 0.295 149 A C -0.626 176.852 177.584 -0.177 0.000 1.066 149 A CA -0.236 51.708 52.037 -0.154 0.000 0.722 149 A CB 0.853 19.763 19.000 -0.149 0.000 1.206 149 A HN 0.027 nan 8.150 nan 0.000 0.435 150 T N 2.292 116.697 114.554 -0.249 0.000 2.892 150 T HA 0.600 4.950 4.350 -0.000 0.000 0.311 150 T C 0.020 174.540 174.700 -0.300 0.000 1.033 150 T CA 0.033 61.990 62.100 -0.238 0.000 0.991 150 T CB 1.123 69.870 68.868 -0.202 0.000 0.981 150 T HN 1.115 nan 8.240 nan 0.000 0.457 151 A N 3.086 125.737 122.820 -0.281 0.000 2.309 151 A HA 0.904 5.224 4.320 -0.000 0.000 0.298 151 A C -0.292 177.045 177.584 -0.412 0.000 1.165 151 A CA -0.585 51.254 52.037 -0.331 0.000 0.821 151 A CB 0.944 19.772 19.000 -0.286 0.000 1.102 151 A HN 0.696 nan 8.150 nan 0.000 0.500 152 V N 2.213 121.828 119.914 -0.499 0.000 3.216 152 V HA 0.558 4.678 4.120 -0.000 0.000 0.302 152 V C -0.663 175.087 176.094 -0.574 0.000 1.286 152 V CA -0.319 61.602 62.300 -0.632 0.000 1.048 152 V CB 2.292 33.488 31.823 -1.044 0.000 1.081 152 V HN 1.502 nan 8.190 nan 0.000 0.442 153 V N 3.804 123.402 119.914 -0.528 0.000 2.583 153 V HA 0.418 4.538 4.120 -0.000 0.000 0.287 153 V C 0.725 176.713 176.094 -0.177 0.000 1.051 153 V CA 0.696 62.725 62.300 -0.452 0.000 1.010 153 V CB 0.861 32.394 31.823 -0.484 0.000 0.988 153 V HN 1.476 nan 8.190 nan 0.000 0.478 154 C N 3.476 122.689 119.300 -0.144 0.000 3.525 154 C HA 0.889 5.349 4.460 -0.000 0.000 0.289 154 C C 0.820 175.813 174.990 0.004 0.000 1.496 154 C CA 0.058 59.061 59.018 -0.025 0.000 1.804 154 C CB -1.258 26.464 27.740 -0.030 0.000 2.708 154 C HN 1.509 nan 8.230 nan 0.000 0.642 155 G N 0.667 109.467 108.800 0.001 0.000 2.427 155 G HA2 0.523 4.483 3.960 -0.000 0.000 0.306 155 G HA3 0.523 4.483 3.960 -0.000 0.000 0.306 155 G C -2.879 172.097 174.900 0.127 0.000 1.280 155 G CA -0.263 44.874 45.100 0.062 0.000 0.837 155 G HN -0.154 nan 8.290 nan 0.000 0.482 156 P HA 0.155 nan 4.420 nan 0.000 0.227 156 P C 0.275 177.791 177.300 0.359 0.000 1.161 156 P CA 1.425 64.671 63.100 0.244 0.000 0.788 156 P CB 0.320 32.131 31.700 0.185 0.000 0.822 157 D N -2.879 117.718 120.400 0.328 0.000 2.692 157 D HA 0.242 4.882 4.640 -0.000 0.000 0.290 157 D C -0.168 176.334 176.300 0.337 0.000 1.455 157 D CA -0.115 54.110 54.000 0.376 0.000 0.796 157 D CB -0.155 40.814 40.800 0.281 0.000 1.131 157 D HN 0.002 nan 8.370 nan 0.000 0.467 158 M N 1.667 121.423 119.600 0.261 0.000 2.457 158 M HA 0.567 5.047 4.480 -0.000 0.000 0.300 158 M C -1.740 174.493 176.300 -0.112 0.000 1.141 158 M CA -0.828 54.532 55.300 0.100 0.000 0.901 158 M CB 2.565 35.206 32.600 0.069 0.000 1.687 158 M HN 0.196 nan 8.290 nan 0.000 0.449 159 I N 0.963 121.452 120.570 -0.135 0.000 2.865 159 I HA 0.754 4.924 4.170 -0.000 0.000 0.302 159 I C -1.609 174.397 176.117 -0.186 0.000 1.140 159 I CA -0.725 60.393 61.300 -0.303 0.000 1.021 159 I CB 2.463 40.172 38.000 -0.486 0.000 1.233 159 I HN 0.762 nan 8.210 nan 0.000 0.427 160 Q N 3.597 123.253 119.800 -0.240 0.000 2.347 160 Q HA 0.776 5.116 4.340 -0.000 0.000 0.271 160 Q C -1.838 173.998 176.000 -0.274 0.000 1.064 160 Q CA -1.020 54.662 55.803 -0.201 0.000 0.800 160 Q CB 2.965 31.603 28.738 -0.166 0.000 1.304 160 Q HN 0.587 nan 8.270 nan 0.000 0.438 161 V N 1.602 121.363 119.914 -0.255 0.000 2.417 161 V HA 0.415 4.535 4.120 -0.000 0.000 0.291 161 V C -0.387 175.487 176.094 -0.366 0.000 1.024 161 V CA -0.667 61.452 62.300 -0.301 0.000 0.861 161 V CB 1.724 33.393 31.823 -0.257 0.000 0.985 161 V HN 0.863 nan 8.190 nan 0.000 0.436 162 S N 6.215 121.621 115.700 -0.490 0.000 2.422 162 S HA 0.613 5.083 4.470 -0.000 0.000 0.308 162 S C -0.566 173.702 174.600 -0.553 0.000 1.097 162 S CA -0.506 57.228 58.200 -0.776 0.000 1.099 162 S CB 0.530 62.928 63.200 -1.337 0.000 0.976 162 S HN 0.398 nan 8.310 nan 0.000 0.471 163 L N 3.848 124.900 121.223 -0.285 0.000 2.329 163 L HA 0.508 4.848 4.340 -0.000 0.000 0.279 163 L C 0.220 177.236 176.870 0.243 0.000 1.014 163 L CA -0.574 54.236 54.840 -0.050 0.000 0.814 163 L CB 1.354 43.380 42.059 -0.055 0.000 1.257 163 L HN 0.504 nan 8.230 nan 0.000 0.424 164 N N 1.092 119.917 118.700 0.208 0.000 2.483 164 N HA 0.337 5.077 4.740 -0.000 0.000 0.269 164 N C 0.058 175.644 175.510 0.127 0.000 1.209 164 N CA -0.373 52.823 53.050 0.243 0.000 0.969 164 N CB 1.372 39.957 38.487 0.163 0.000 1.173 164 N HN 0.686 nan 8.380 nan 0.000 0.475 165 A N 0.169 123.047 122.820 0.096 0.000 2.561 165 A HA 0.384 4.704 4.320 -0.000 0.000 0.251 165 A C 1.344 178.951 177.584 0.038 0.000 1.062 165 A CA 0.730 52.801 52.037 0.058 0.000 0.761 165 A CB -0.994 18.029 19.000 0.037 0.000 0.986 165 A HN 0.942 nan 8.150 nan 0.000 0.510 166 G N 0.908 109.724 108.800 0.026 0.000 2.162 166 G HA2 0.129 4.089 3.960 -0.000 0.000 0.260 166 G HA3 0.129 4.089 3.960 -0.000 0.000 0.260 166 G C 0.547 175.448 174.900 0.003 0.000 0.976 166 G CA 0.582 45.689 45.100 0.013 0.000 0.655 166 G HN 2.173 nan 8.290 nan 0.000 0.533 167 A N -0.176 122.645 122.820 0.001 0.000 2.286 167 A HA 0.955 5.275 4.320 -0.000 0.000 0.286 167 A C 0.562 178.106 177.584 -0.066 0.000 1.097 167 A CA 0.581 52.607 52.037 -0.019 0.000 0.821 167 A CB 0.601 19.597 19.000 -0.007 0.000 1.076 167 A HN 1.599 nan 8.150 nan 0.000 0.490 168 R N -0.188 120.264 120.500 -0.080 0.000 2.710 168 R HA 0.796 5.136 4.340 -0.000 0.000 0.270 168 R C -0.348 175.872 176.300 -0.133 0.000 1.021 168 R CA -0.303 55.696 56.100 -0.168 0.000 0.889 168 R CB 1.256 31.483 30.300 -0.122 0.000 1.243 168 R HN 1.784 nan 8.270 nan 0.000 0.464 169 G N 0.654 109.289 108.800 -0.275 0.000 2.355 169 G HA2 0.277 4.237 3.960 -0.000 0.000 0.296 169 G HA3 0.277 4.237 3.960 -0.000 0.000 0.296 169 G C -2.002 172.889 174.900 -0.015 0.000 1.507 169 G CA -0.882 44.190 45.100 -0.046 0.000 0.823 169 G HN 0.492 nan 8.290 nan 0.000 0.569 170 D N -0.205 120.270 120.400 0.125 0.000 2.304 170 D HA 0.457 5.097 4.640 -0.000 0.000 0.250 170 D C 1.078 177.373 176.300 -0.009 0.000 1.107 170 D CA -0.222 53.832 54.000 0.090 0.000 0.885 170 D CB 2.131 42.974 40.800 0.072 0.000 1.192 170 D HN 0.120 nan 8.370 nan 0.000 0.436 171 V N 2.351 122.243 119.914 -0.037 0.000 3.455 171 V HA -0.122 3.998 4.120 -0.000 0.000 0.250 171 V C 2.341 178.480 176.094 0.074 0.000 1.230 171 V CA 0.075 62.352 62.300 -0.039 0.000 1.105 171 V CB -0.183 31.583 31.823 -0.094 0.000 0.850 171 V HN 0.546 nan 8.190 nan 0.000 0.461 172 Q N 2.287 122.167 119.800 0.133 0.000 2.188 172 Q HA -0.392 3.948 4.340 -0.000 0.000 0.217 172 Q C 1.874 178.125 176.000 0.418 0.000 1.018 172 Q CA 2.779 58.812 55.803 0.382 0.000 0.910 172 Q CB -1.183 27.777 28.738 0.370 0.000 0.979 172 Q HN 0.800 nan 8.270 nan 0.000 0.413 173 Q N 0.510 120.437 119.800 0.210 0.000 2.376 173 Q HA -0.148 4.192 4.340 -0.000 0.000 0.211 173 Q C 1.941 178.012 176.000 0.117 0.000 0.986 173 Q CA 1.551 57.444 55.803 0.150 0.000 0.886 173 Q CB -0.649 28.136 28.738 0.077 0.000 0.927 173 Q HN 0.558 nan 8.270 nan 0.000 0.457 174 I N 0.034 120.637 120.570 0.055 0.000 2.353 174 I HA -0.113 4.057 4.170 -0.000 0.000 0.248 174 I C 1.553 177.693 176.117 0.038 0.000 1.119 174 I CA 0.878 62.122 61.300 -0.094 0.000 1.417 174 I CB -0.140 37.634 38.000 -0.376 0.000 1.078 174 I HN -0.025 nan 8.210 nan 0.000 0.421 175 F N 0.538 120.622 119.950 0.222 0.000 2.149 175 F HA 0.031 4.558 4.527 -0.000 0.000 0.294 175 F C 1.596 177.506 175.800 0.184 0.000 1.095 175 F CA 0.492 58.581 58.000 0.147 0.000 1.276 175 F CB -1.088 37.951 39.000 0.065 0.000 1.023 175 F HN -0.018 nan 8.300 nan 0.000 0.480 176 Q N -0.089 119.930 119.800 0.365 0.000 2.469 176 Q HA 0.256 4.596 4.340 -0.000 0.000 0.279 176 Q C 1.438 177.547 176.000 0.183 0.000 1.097 176 Q CA 0.928 56.864 55.803 0.223 0.000 0.951 176 Q CB 0.007 28.846 28.738 0.168 0.000 1.297 176 Q HN 0.533 nan 8.270 nan 0.000 0.465 177 G N 0.851 109.726 108.800 0.125 0.000 2.284 177 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.247 177 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.247 177 G C -0.163 174.791 174.900 0.090 0.000 1.012 177 G CA 0.131 45.287 45.100 0.092 0.000 0.618 177 G HN 0.531 nan 8.290 nan 0.000 0.521 178 R N 0.951 121.534 120.500 0.138 0.000 2.312 178 R HA 0.604 4.944 4.340 -0.000 0.000 0.311 178 R C 0.881 177.155 176.300 -0.043 0.000 1.004 178 R CA -0.050 56.097 56.100 0.080 0.000 0.902 178 R CB 0.639 31.052 30.300 0.189 0.000 1.073 178 R HN 0.561 nan 8.270 nan 0.000 0.457 179 N N 0.893 119.537 118.700 -0.094 0.000 1.191 179 N HA -0.334 4.406 4.740 -0.000 0.000 0.120 179 N C -0.576 174.901 175.510 -0.054 0.000 0.826 179 N CA 1.645 54.629 53.050 -0.110 0.000 0.876 179 N CB -0.526 37.825 38.487 -0.228 0.000 1.050 179 N HN 0.805 nan 8.380 nan 0.000 0.603 180 D N -0.110 120.265 120.400 -0.041 0.000 3.595 180 D HA 0.246 4.886 4.640 -0.000 0.000 0.253 180 D C -2.865 173.432 176.300 -0.005 0.000 1.395 180 D CA -0.835 53.148 54.000 -0.028 0.000 0.820 180 D CB 0.357 41.128 40.800 -0.049 0.000 1.431 180 D HN 0.328 nan 8.370 nan 0.000 0.690 181 P HA 0.204 nan 4.420 nan 0.000 0.273 181 P C 0.378 177.680 177.300 0.005 0.000 1.250 181 P CA -0.365 62.793 63.100 0.095 0.000 0.793 181 P CB 1.261 33.078 31.700 0.195 0.000 1.011 182 M N -1.367 118.244 119.600 0.019 0.000 2.379 182 M HA 0.245 4.725 4.480 -0.000 0.000 0.268 182 M C 0.241 176.510 176.300 -0.053 0.000 1.185 182 M CA 0.468 55.753 55.300 -0.025 0.000 1.121 182 M CB 0.481 33.086 32.600 0.007 0.000 1.608 182 M HN 0.262 nan 8.290 nan 0.000 0.569 183 M N 1.008 120.610 119.600 0.005 0.000 2.294 183 M HA 0.489 4.969 4.480 -0.000 0.000 0.280 183 M C -2.200 174.111 176.300 0.018 0.000 1.085 183 M CA -0.151 55.106 55.300 -0.073 0.000 0.969 183 M CB 1.907 34.519 32.600 0.020 0.000 1.770 183 M HN 0.037 nan 8.290 nan 0.000 0.485 184 I N 4.705 125.162 120.570 -0.189 0.000 2.378 184 I HA 0.383 4.553 4.170 -0.000 0.000 0.291 184 I C -1.312 174.660 176.117 -0.242 0.000 0.992 184 I CA -0.809 60.472 61.300 -0.032 0.000 1.154 184 I CB 1.458 39.389 38.000 -0.115 0.000 1.315 184 I HN 0.568 nan 8.210 nan 0.000 0.448 185 Y N 6.354 126.555 120.300 -0.164 0.000 2.404 185 Y HA 0.445 4.995 4.550 -0.000 0.000 0.344 185 Y C -0.175 175.634 175.900 -0.152 0.000 0.970 185 Y CA -0.656 57.277 58.100 -0.279 0.000 1.180 185 Y CB 0.713 38.688 38.460 -0.808 0.000 1.138 185 Y HN 0.287 nan 8.280 nan 0.000 0.510 186 L N 3.096 124.324 121.223 0.008 0.000 2.335 186 L HA 0.736 5.076 4.340 -0.000 0.000 0.268 186 L C -0.511 176.411 176.870 0.086 0.000 1.016 186 L CA -1.360 53.513 54.840 0.054 0.000 0.805 186 L CB 1.724 43.794 42.059 0.017 0.000 1.311 186 L HN 0.340 nan 8.230 nan 0.000 0.456 187 V N 1.950 121.940 119.914 0.126 0.000 2.812 187 V HA 0.395 4.515 4.120 -0.000 0.000 0.280 187 V C -1.872 174.319 176.094 0.162 0.000 1.324 187 V CA -0.592 61.776 62.300 0.114 0.000 0.933 187 V CB 1.357 33.217 31.823 0.061 0.000 1.091 187 V HN 0.785 nan 8.190 nan 0.000 0.455 188 W N 6.660 127.954 121.300 -0.010 0.000 2.551 188 W HA 0.865 5.525 4.660 -0.000 0.000 0.330 188 W C -1.101 175.412 176.519 -0.010 0.000 1.063 188 W CA -0.952 56.383 57.345 -0.016 0.000 1.222 188 W CB 1.348 30.781 29.460 -0.044 0.000 1.349 188 W HN 0.592 nan 8.180 nan 0.000 0.536 189 R N 2.260 122.772 120.500 0.021 0.000 2.795 189 R HA 0.499 4.839 4.340 -0.000 0.000 0.275 189 R C -0.413 175.913 176.300 0.043 0.000 0.981 189 R CA -1.352 54.661 56.100 -0.144 0.000 0.917 189 R CB 2.852 33.106 30.300 -0.077 0.000 1.202 189 R HN 0.452 nan 8.270 nan 0.000 0.469 190 R N 1.530 122.019 120.500 -0.017 0.000 2.298 190 R HA 0.277 4.617 4.340 -0.000 0.000 0.310 190 R C -0.043 176.308 176.300 0.085 0.000 1.068 190 R CA -0.225 55.934 56.100 0.097 0.000 0.957 190 R CB 0.622 30.972 30.300 0.083 0.000 1.003 190 R HN 0.462 nan 8.270 nan 0.000 0.454 191 I N 3.563 124.196 120.570 0.105 0.000 2.278 191 I HA -0.023 4.147 4.170 -0.000 0.000 0.300 191 I C 1.231 177.502 176.117 0.256 0.000 1.174 191 I CA 0.072 61.458 61.300 0.144 0.000 1.347 191 I CB 0.532 38.595 38.000 0.105 0.000 1.473 191 I HN 0.618 nan 8.210 nan 0.000 0.595 192 E N 3.823 124.131 120.200 0.179 0.000 2.267 192 E HA -0.172 4.178 4.350 -0.000 0.000 0.197 192 E C 0.540 177.238 176.600 0.164 0.000 0.998 192 E CA 1.190 57.687 56.400 0.162 0.000 0.830 192 E CB 0.115 29.866 29.700 0.086 0.000 0.751 192 E HN 0.601 nan 8.360 nan 0.000 0.491 193 N N -0.361 118.448 118.700 0.183 0.000 2.653 193 N HA 0.095 4.835 4.740 -0.000 0.000 0.261 193 N C -1.411 174.186 175.510 0.144 0.000 1.216 193 N CA -0.344 52.753 53.050 0.078 0.000 0.784 193 N CB 0.169 38.675 38.487 0.032 0.000 1.327 193 N HN -0.056 nan 8.380 nan 0.000 0.539 194 F N 1.276 121.268 119.950 0.069 0.000 2.541 194 F HA 0.888 5.415 4.527 -0.000 0.000 0.331 194 F C -0.036 175.817 175.800 0.088 0.000 1.057 194 F CA -1.210 56.846 58.000 0.092 0.000 0.975 194 F CB 0.526 39.608 39.000 0.137 0.000 1.246 194 F HN 0.151 nan 8.300 nan 0.000 0.484 195 A N 3.182 126.162 122.820 0.267 0.000 2.327 195 A HA 0.644 4.964 4.320 -0.000 0.000 0.283 195 A C -0.117 177.627 177.584 0.266 0.000 1.127 195 A CA -0.718 51.413 52.037 0.156 0.000 0.810 195 A CB 0.328 19.424 19.000 0.160 0.000 1.066 195 A HN 0.755 nan 8.150 nan 0.000 0.492 196 M N 1.217 120.875 119.600 0.096 0.000 2.513 196 M HA 0.366 4.846 4.480 -0.000 0.000 0.291 196 M C 1.664 178.033 176.300 0.114 0.000 1.190 196 M CA -0.142 55.202 55.300 0.073 0.000 0.960 196 M CB 0.859 33.382 32.600 -0.127 0.000 1.517 196 M HN 0.853 nan 8.290 nan 0.000 0.499 197 A N 0.300 123.168 122.820 0.079 0.000 2.032 197 A HA -0.174 4.146 4.320 -0.000 0.000 0.221 197 A C 1.746 179.367 177.584 0.061 0.000 1.165 197 A CA 1.638 53.744 52.037 0.115 0.000 0.645 197 A CB -0.328 18.718 19.000 0.076 0.000 0.807 197 A HN 0.779 nan 8.150 nan 0.000 0.453 198 Q N -2.684 117.124 119.800 0.013 0.000 2.339 198 Q HA 0.199 4.539 4.340 -0.000 0.000 0.205 198 Q C 1.422 177.428 176.000 0.010 0.000 0.925 198 Q CA 1.109 56.914 55.803 0.003 0.000 0.898 198 Q CB 0.596 29.319 28.738 -0.025 0.000 1.013 198 Q HN 0.965 nan 8.270 nan 0.000 0.504 199 G N 1.570 110.378 108.800 0.012 0.000 2.260 199 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.179 199 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.179 199 G C -0.083 174.808 174.900 -0.015 0.000 1.002 199 G CA -0.076 45.033 45.100 0.014 0.000 0.677 199 G HN 0.492 nan 8.290 nan 0.000 0.486 200 N N 0.838 119.510 118.700 -0.046 0.000 2.530 200 N HA 0.515 5.255 4.740 -0.000 0.000 0.273 200 N C 0.240 175.675 175.510 -0.124 0.000 1.173 200 N CA 0.233 53.236 53.050 -0.078 0.000 0.967 200 N CB 1.178 39.609 38.487 -0.093 0.000 1.109 200 N HN 0.070 nan 8.380 nan 0.000 0.453 201 S N 0.512 116.135 115.700 -0.128 0.000 2.549 201 S HA 0.065 4.535 4.470 -0.000 0.000 0.283 201 S C -0.107 174.318 174.600 -0.292 0.000 1.320 201 S CA -0.324 57.767 58.200 -0.182 0.000 1.058 201 S CB 0.596 63.724 63.200 -0.120 0.000 0.882 201 S HN 0.694 nan 8.310 nan 0.000 0.498 202 Q N 1.472 120.960 119.800 -0.520 0.000 2.359 202 Q HA 0.476 4.816 4.340 -0.000 0.000 0.274 202 Q C -1.500 174.104 176.000 -0.660 0.000 1.074 202 Q CA -0.558 54.838 55.803 -0.678 0.000 0.810 202 Q CB 1.511 29.620 28.738 -1.049 0.000 1.342 202 Q HN 0.547 nan 8.270 nan 0.000 0.427 203 Q N 0.471 120.107 119.800 -0.274 0.000 2.245 203 Q HA 0.600 4.940 4.340 -0.000 0.000 0.256 203 Q C -1.092 175.018 176.000 0.183 0.000 0.942 203 Q CA -0.205 55.579 55.803 -0.032 0.000 0.896 203 Q CB 2.067 30.799 28.738 -0.011 0.000 1.272 203 Q HN 0.614 nan 8.270 nan 0.000 0.442 204 T N 3.599 118.338 114.554 0.308 0.000 2.743 204 T HA 0.273 4.623 4.350 -0.000 0.000 0.292 204 T C -0.579 174.223 174.700 0.169 0.000 0.972 204 T CA -0.780 61.507 62.100 0.311 0.000 0.967 204 T CB 0.642 69.692 68.868 0.303 0.000 0.926 204 T HN 0.317 nan 8.240 nan 0.000 0.459 205 Q N 1.823 121.702 119.800 0.131 0.000 2.373 205 Q HA 0.459 4.799 4.340 -0.000 0.000 0.255 205 Q C 0.253 176.306 176.000 0.087 0.000 0.980 205 Q CA -0.336 55.520 55.803 0.089 0.000 0.882 205 Q CB 0.782 29.560 28.738 0.067 0.000 1.249 205 Q HN 0.827 nan 8.270 nan 0.000 0.438 206 A N 0.612 123.473 122.820 0.069 0.000 2.498 206 A HA 0.470 4.790 4.320 -0.000 0.000 0.239 206 A C 1.100 178.725 177.584 0.070 0.000 1.068 206 A CA 0.838 52.916 52.037 0.068 0.000 0.766 206 A CB -0.115 18.912 19.000 0.045 0.000 1.003 206 A HN 0.928 nan 8.150 nan 0.000 0.497 207 G N 0.638 109.491 108.800 0.088 0.000 2.421 207 G HA2 -0.086 3.874 3.960 -0.000 0.000 0.188 207 G HA3 -0.086 3.874 3.960 -0.000 0.000 0.188 207 G C 0.169 175.122 174.900 0.088 0.000 1.001 207 G CA -0.106 45.041 45.100 0.078 0.000 0.693 207 G HN 1.291 nan 8.290 nan 0.000 0.479 208 V N 2.622 122.604 119.914 0.112 0.000 2.763 208 V HA 0.494 4.614 4.120 -0.000 0.000 0.306 208 V C 0.940 177.089 176.094 0.091 0.000 1.059 208 V CA 1.080 63.427 62.300 0.079 0.000 1.138 208 V CB 1.059 32.944 31.823 0.103 0.000 0.940 208 V HN 0.907 nan 8.190 nan 0.000 0.489 209 T N 1.503 116.011 114.554 -0.077 0.000 2.886 209 T HA 0.731 5.081 4.350 -0.000 0.000 0.292 209 T C -0.966 173.471 174.700 -0.437 0.000 1.012 209 T CA -0.736 61.271 62.100 -0.155 0.000 0.982 209 T CB 1.676 70.512 68.868 -0.052 0.000 1.018 209 T HN 0.325 nan 8.240 nan 0.000 0.451 210 V N 3.137 122.647 119.914 -0.673 0.000 2.448 210 V HA 0.759 4.879 4.120 -0.000 0.000 0.295 210 V C 0.021 175.868 176.094 -0.411 0.000 1.025 210 V CA -0.747 61.085 62.300 -0.781 0.000 0.859 210 V CB 1.534 32.441 31.823 -1.525 0.000 0.988 210 V HN 1.220 nan 8.190 nan 0.000 0.431 211 S N 3.801 119.334 115.700 -0.278 0.000 2.526 211 S HA 0.829 5.299 4.470 -0.000 0.000 0.293 211 S C -0.928 173.569 174.600 -0.173 0.000 1.092 211 S CA -0.775 57.333 58.200 -0.153 0.000 0.980 211 S CB 1.931 65.093 63.200 -0.064 0.000 1.048 211 S HN 0.377 nan 8.310 nan 0.000 0.483 212 V N 2.222 122.043 119.914 -0.156 0.000 2.427 212 V HA 0.656 4.776 4.120 -0.000 0.000 0.286 212 V C 1.427 177.471 176.094 -0.084 0.000 1.034 212 V CA 0.077 62.266 62.300 -0.185 0.000 0.893 212 V CB 0.617 32.328 31.823 -0.187 0.000 0.982 212 V HN 1.519 nan 8.190 nan 0.000 0.452 213 G N 3.273 112.037 108.800 -0.060 0.000 2.420 213 G HA2 -0.027 3.933 3.960 -0.000 0.000 0.305 213 G HA3 -0.027 3.933 3.960 -0.000 0.000 0.305 213 G C 1.188 176.069 174.900 -0.031 0.000 0.971 213 G CA 1.333 46.422 45.100 -0.019 0.000 0.843 213 G HN 2.109 nan 8.290 nan 0.000 0.512 214 G N -2.681 106.091 108.800 -0.047 0.000 2.561 214 G HA2 -0.010 3.950 3.960 -0.000 0.000 0.203 214 G HA3 -0.010 3.950 3.960 -0.000 0.000 0.203 214 G C 0.727 175.611 174.900 -0.028 0.000 1.101 214 G CA 0.582 45.658 45.100 -0.041 0.000 0.711 214 G HN 1.780 nan 8.290 nan 0.000 0.511 215 V N 2.373 122.274 119.914 -0.023 0.000 2.637 215 V HA 0.507 4.627 4.120 -0.000 0.000 0.296 215 V C 0.170 176.254 176.094 -0.017 0.000 1.046 215 V CA 0.506 62.799 62.300 -0.012 0.000 1.066 215 V CB 1.341 33.162 31.823 -0.002 0.000 0.968 215 V HN 0.448 nan 8.190 nan 0.000 0.483 216 D N 6.112 126.511 120.400 -0.001 0.000 2.312 216 D HA 0.341 4.981 4.640 -0.000 0.000 0.252 216 D C -0.265 176.061 176.300 0.044 0.000 1.150 216 D CA -0.285 53.720 54.000 0.008 0.000 0.870 216 D CB 0.586 41.400 40.800 0.022 0.000 1.153 216 D HN 0.404 nan 8.370 nan 0.000 0.457 217 M N 2.794 122.435 119.600 0.068 0.000 2.404 217 M HA 0.382 4.862 4.480 -0.000 0.000 0.338 217 M C 0.407 176.920 176.300 0.356 0.000 1.150 217 M CA -0.532 54.867 55.300 0.165 0.000 1.016 217 M CB 1.597 34.286 32.600 0.148 0.000 1.672 217 M HN 0.334 nan 8.290 nan 0.000 0.448 218 R N 0.708 121.355 120.500 0.245 0.000 2.707 218 R HA 0.599 4.939 4.340 -0.000 0.000 0.270 218 R C -0.009 176.292 176.300 0.001 0.000 1.083 218 R CA -0.312 55.882 56.100 0.157 0.000 1.182 218 R CB 0.528 30.848 30.300 0.033 0.000 1.084 218 R HN 0.822 nan 8.270 nan 0.000 0.528 219 A N 0.185 122.728 122.820 -0.463 0.000 2.309 219 A HA 0.505 4.825 4.320 -0.000 0.000 0.298 219 A C 0.848 178.089 177.584 -0.572 0.000 1.165 219 A CA 0.227 51.544 52.037 -1.200 0.000 0.821 219 A CB 0.776 18.851 19.000 -1.543 0.000 1.102 219 A HN 0.841 nan 8.150 nan 0.000 0.500 220 G N 0.761 109.272 108.800 -0.482 0.000 2.143 220 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.249 220 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.249 220 G C 0.189 175.020 174.900 -0.114 0.000 0.981 220 G CA 0.654 45.617 45.100 -0.227 0.000 0.665 220 G HN 0.868 nan 8.290 nan 0.000 0.528 221 R N -0.620 119.826 120.500 -0.090 0.000 2.778 221 R HA 0.782 5.122 4.340 -0.000 0.000 0.277 221 R C 0.697 177.017 176.300 0.032 0.000 0.977 221 R CA -0.868 55.226 56.100 -0.011 0.000 0.950 221 R CB 0.813 31.115 30.300 0.004 0.000 1.165 221 R HN 0.229 nan 8.270 nan 0.000 0.474 222 I N 3.005 123.611 120.570 0.060 0.000 2.519 222 I HA 0.247 4.417 4.170 -0.000 0.000 0.287 222 I C -0.217 175.951 176.117 0.084 0.000 1.047 222 I CA -0.205 61.147 61.300 0.087 0.000 1.381 222 I CB 0.646 38.720 38.000 0.124 0.000 1.417 222 I HN 0.330 nan 8.210 nan 0.000 0.540 223 I N 4.775 125.382 120.570 0.062 0.000 2.436 223 I HA 0.351 4.521 4.170 -0.000 0.000 0.289 223 I C 0.200 176.255 176.117 -0.102 0.000 1.010 223 I CA -0.266 61.043 61.300 0.015 0.000 1.098 223 I CB 1.904 39.917 38.000 0.021 0.000 1.266 223 I HN 0.573 nan 8.210 nan 0.000 0.434 224 A N 6.019 128.762 122.820 -0.129 0.000 2.807 224 A HA 0.262 4.582 4.320 -0.000 0.000 0.307 224 A C -1.056 176.437 177.584 -0.152 0.000 1.532 224 A CA -0.237 51.602 52.037 -0.329 0.000 1.215 224 A CB -0.509 18.391 19.000 -0.166 0.000 1.127 224 A HN 0.671 nan 8.150 nan 0.000 0.543 225 W N 4.146 125.204 121.300 -0.404 0.000 2.361 225 W HA 0.354 5.014 4.660 -0.000 0.000 0.309 225 W C 0.389 176.752 176.519 -0.259 0.000 1.122 225 W CA -1.287 55.883 57.345 -0.292 0.000 1.208 225 W CB 1.010 30.280 29.460 -0.316 0.000 1.246 225 W HN 0.754 nan 8.180 nan 0.000 0.490 226 D N 3.166 123.325 120.400 -0.401 0.000 2.363 226 D HA 0.028 4.668 4.640 -0.000 0.000 0.226 226 D C 1.546 177.348 176.300 -0.830 0.000 1.020 226 D CA 0.723 54.435 54.000 -0.479 0.000 0.892 226 D CB -0.150 40.526 40.800 -0.206 0.000 0.900 226 D HN 0.796 nan 8.370 nan 0.000 0.531 227 G N 1.004 108.630 108.800 -1.956 0.000 2.257 227 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.267 227 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.267 227 G C 1.218 175.666 174.900 -0.753 0.000 0.984 227 G CA 0.547 44.511 45.100 -1.895 0.000 0.626 227 G HN 0.387 nan 8.290 nan 0.000 0.540 228 Q N -0.264 119.332 119.800 -0.341 0.000 2.402 228 Q HA 0.526 4.866 4.340 -0.000 0.000 0.231 228 Q C 1.657 177.765 176.000 0.180 0.000 0.888 228 Q CA 0.846 56.638 55.803 -0.018 0.000 0.938 228 Q CB 0.187 28.893 28.738 -0.054 0.000 1.086 228 Q HN 0.988 nan 8.270 nan 0.000 0.543 229 A N 1.377 124.399 122.820 0.337 0.000 2.406 229 A HA 0.488 4.808 4.320 -0.000 0.000 0.243 229 A C 0.090 177.838 177.584 0.272 0.000 1.082 229 A CA 0.275 52.496 52.037 0.306 0.000 0.786 229 A CB 0.112 19.290 19.000 0.297 0.000 1.029 229 A HN 0.238 nan 8.150 nan 0.000 0.495 230 A N 0.877 123.746 122.820 0.082 0.000 2.484 230 A HA 0.419 4.739 4.320 -0.000 0.000 0.268 230 A C -0.044 177.468 177.584 -0.119 0.000 1.114 230 A CA -0.168 51.868 52.037 -0.001 0.000 0.780 230 A CB -0.512 18.463 19.000 -0.041 0.000 1.061 230 A HN 1.196 nan 8.150 nan 0.000 0.505 231 L N 4.418 125.525 121.223 -0.194 0.000 2.328 231 L HA 0.323 4.663 4.340 -0.000 0.000 0.280 231 L C -0.240 176.525 176.870 -0.175 0.000 1.111 231 L CA 0.040 54.652 54.840 -0.381 0.000 0.909 231 L CB -0.466 41.233 42.059 -0.600 0.000 1.277 231 L HN 0.721 nan 8.230 nan 0.000 0.433 232 H N 2.616 121.524 119.070 -0.270 0.000 2.467 232 H HA 0.676 5.232 4.556 -0.000 0.000 0.326 232 H C -1.068 174.099 175.328 -0.270 0.000 1.094 232 H CA -0.500 55.416 56.048 -0.220 0.000 1.253 232 H CB 1.282 30.946 29.762 -0.163 0.000 1.439 232 H HN 0.302 nan 8.280 nan 0.000 0.479 233 V N 6.070 125.596 119.914 -0.647 0.000 2.555 233 V HA 0.561 4.681 4.120 -0.000 0.000 0.302 233 V C -0.040 175.695 176.094 -0.598 0.000 1.038 233 V CA -0.904 61.058 62.300 -0.562 0.000 0.887 233 V CB 1.676 33.238 31.823 -0.436 0.000 0.991 233 V HN 0.743 nan 8.190 nan 0.000 0.434 234 R N 2.483 122.739 120.500 -0.407 0.000 2.686 234 R HA 0.503 4.843 4.340 -0.000 0.000 0.286 234 R C -0.906 175.301 176.300 -0.155 0.000 0.969 234 R CA -0.760 55.181 56.100 -0.264 0.000 0.898 234 R CB 1.916 32.114 30.300 -0.170 0.000 1.183 234 R HN 0.687 nan 8.270 nan 0.000 0.456 235 N N 3.277 121.918 118.700 -0.097 0.000 2.776 235 N HA 0.210 4.950 4.740 -0.000 0.000 0.245 235 N C -2.079 173.424 175.510 -0.012 0.000 1.121 235 N CA -2.235 50.791 53.050 -0.040 0.000 0.852 235 N CB 1.256 39.731 38.487 -0.020 0.000 1.142 235 N HN 0.316 nan 8.380 nan 0.000 0.514 236 P HA 0.020 nan 4.420 nan 0.000 0.236 236 P C 0.217 177.528 177.300 0.018 0.000 1.177 236 P CA 0.264 63.369 63.100 0.007 0.000 0.773 236 P CB 0.279 31.984 31.700 0.009 0.000 0.878 237 T N 2.156 116.726 114.554 0.027 0.000 2.930 237 T HA 0.055 4.405 4.350 -0.000 0.000 0.306 237 T C 0.997 175.717 174.700 0.035 0.000 1.045 237 T CA 0.150 62.272 62.100 0.036 0.000 1.134 237 T CB 0.268 69.168 68.868 0.053 0.000 0.961 237 T HN 0.009 nan 8.240 nan 0.000 0.545 238 Q N 3.148 122.966 119.800 0.029 0.000 2.414 238 Q HA 0.241 4.581 4.340 -0.000 0.000 0.286 238 Q C 0.115 176.129 176.000 0.024 0.000 0.941 238 Q CA 0.365 56.181 55.803 0.022 0.000 0.951 238 Q CB -0.002 28.744 28.738 0.014 0.000 1.188 238 Q HN 0.626 nan 8.270 nan 0.000 0.418 239 Q N -0.425 119.399 119.800 0.041 0.000 2.630 239 Q HA 0.299 4.639 4.340 -0.000 0.000 0.295 239 Q C -0.995 175.060 176.000 0.091 0.000 0.944 239 Q CA -0.809 55.022 55.803 0.047 0.000 0.766 239 Q CB 1.464 30.233 28.738 0.052 0.000 1.471 239 Q HN 0.235 nan 8.270 nan 0.000 0.416 240 N N -0.148 118.613 118.700 0.102 0.000 2.508 240 N HA 0.480 5.220 4.740 -0.000 0.000 0.264 240 N C -1.042 174.679 175.510 0.352 0.000 1.216 240 N CA 0.161 53.334 53.050 0.204 0.000 0.943 240 N CB 0.845 39.313 38.487 -0.032 0.000 1.113 240 N HN 0.524 nan 8.380 nan 0.000 0.447 241 A N 1.453 124.470 122.820 0.328 0.000 2.498 241 A HA 0.772 5.092 4.320 -0.000 0.000 0.298 241 A C -1.089 176.416 177.584 -0.133 0.000 1.075 241 A CA -0.617 51.498 52.037 0.130 0.000 0.714 241 A CB 1.264 20.318 19.000 0.090 0.000 1.299 241 A HN 0.579 nan 8.150 nan 0.000 0.407 242 M N 1.993 121.380 119.600 -0.354 0.000 2.271 242 M HA 0.467 4.947 4.480 -0.000 0.000 0.285 242 M C -1.211 174.980 176.300 -0.182 0.000 1.059 242 M CA -0.671 54.368 55.300 -0.434 0.000 0.940 242 M CB 2.223 34.315 32.600 -0.848 0.000 1.636 242 M HN 0.747 nan 8.290 nan 0.000 0.460 243 V N 1.228 121.075 119.914 -0.113 0.000 2.735 243 V HA 0.709 4.829 4.120 -0.000 0.000 0.310 243 V C -0.934 175.166 176.094 0.010 0.000 1.061 243 V CA -0.806 61.511 62.300 0.030 0.000 0.913 243 V CB 1.732 33.630 31.823 0.126 0.000 1.005 243 V HN 0.940 nan 8.190 nan 0.000 0.428 244 Q N 3.357 123.205 119.800 0.080 0.000 2.293 244 Q HA 0.794 5.134 4.340 -0.000 0.000 0.261 244 Q C -1.288 174.792 176.000 0.134 0.000 0.960 244 Q CA -0.718 55.120 55.803 0.059 0.000 0.882 244 Q CB 2.422 31.190 28.738 0.050 0.000 1.275 244 Q HN 0.793 nan 8.270 nan 0.000 0.445 245 I N 2.582 123.216 120.570 0.106 0.000 2.389 245 I HA 0.263 4.433 4.170 -0.000 0.000 0.288 245 I C -0.528 175.702 176.117 0.187 0.000 0.999 245 I CA -0.683 60.721 61.300 0.174 0.000 1.129 245 I CB 1.963 40.063 38.000 0.167 0.000 1.288 245 I HN 0.701 nan 8.210 nan 0.000 0.444 246 Q N 5.745 125.658 119.800 0.189 0.000 2.316 246 Q HA 0.443 4.783 4.340 -0.000 0.000 0.264 246 Q C -1.425 174.694 176.000 0.199 0.000 0.987 246 Q CA -0.700 55.217 55.803 0.191 0.000 0.852 246 Q CB 2.428 31.254 28.738 0.147 0.000 1.287 246 Q HN 0.481 nan 8.270 nan 0.000 0.448 247 V N 5.807 125.865 119.914 0.239 0.000 2.299 247 V HA 0.021 4.141 4.120 -0.000 0.000 0.255 247 V C 1.118 177.344 176.094 0.220 0.000 1.100 247 V CA 0.032 62.458 62.300 0.210 0.000 0.938 247 V CB 0.566 32.516 31.823 0.211 0.000 1.139 247 V HN 0.819 nan 8.190 nan 0.000 0.490 248 V N 6.786 126.794 119.914 0.158 0.000 2.407 248 V HA -0.010 4.110 4.120 -0.000 0.000 0.248 248 V C 0.424 176.722 176.094 0.339 0.000 1.055 248 V CA 2.199 64.614 62.300 0.191 0.000 1.049 248 V CB -0.279 31.620 31.823 0.128 0.000 0.662 248 V HN 0.885 nan 8.190 nan 0.000 0.455 249 F N -1.879 118.245 119.950 0.290 0.000 2.829 249 F HA 0.581 5.108 4.527 -0.000 0.000 0.319 249 F C -1.368 174.731 175.800 0.498 0.000 1.153 249 F CA -1.666 56.530 58.000 0.327 0.000 0.912 249 F CB 0.226 39.294 39.000 0.113 0.000 1.292 249 F HN 0.152 nan 8.300 nan 0.000 0.447 250 Y N 1.671 122.279 120.300 0.514 0.000 2.638 250 Y HA 0.897 5.447 4.550 -0.000 0.000 0.339 250 Y C -1.098 175.025 175.900 0.372 0.000 1.084 250 Y CA -2.669 55.691 58.100 0.434 0.000 1.068 250 Y CB 1.243 39.896 38.460 0.321 0.000 1.294 250 Y HN 0.938 nan 8.280 nan 0.000 0.480 251 I N 0.827 121.537 120.570 0.234 0.000 2.608 251 I HA 0.958 5.128 4.170 -0.000 0.000 0.295 251 I C -0.719 175.392 176.117 -0.010 0.000 1.049 251 I CA -0.776 60.539 61.300 0.026 0.000 1.063 251 I CB 2.416 40.506 38.000 0.150 0.000 1.248 251 I HN 0.881 nan 8.210 nan 0.000 0.424 252 S N 4.467 120.112 115.700 -0.091 0.000 2.671 252 S HA 0.539 5.009 4.470 -0.000 0.000 0.277 252 S C -0.245 174.337 174.600 -0.030 0.000 1.165 252 S CA -0.985 57.186 58.200 -0.048 0.000 0.822 252 S CB 1.937 65.098 63.200 -0.064 0.000 1.150 252 S HN 0.791 nan 8.310 nan 0.000 0.479 253 M N 1.631 121.223 119.600 -0.013 0.000 2.729 253 M HA 0.264 4.744 4.480 -0.000 0.000 0.229 253 M C -0.933 175.416 176.300 0.082 0.000 1.280 253 M CA 0.080 55.403 55.300 0.037 0.000 1.012 253 M CB -0.638 31.957 32.600 -0.008 0.000 1.603 253 M HN 0.489 nan 8.290 nan 0.000 0.452 254 D N 1.285 121.704 120.400 0.032 0.000 2.192 254 D HA 0.235 4.875 4.640 -0.000 0.000 0.246 254 D C -0.093 176.230 176.300 0.037 0.000 1.042 254 D CA -0.376 53.650 54.000 0.043 0.000 0.847 254 D CB 1.352 42.147 40.800 -0.008 0.000 1.186 254 D HN -0.076 nan 8.370 nan 0.000 0.461 255 K N 1.347 121.784 120.400 0.062 0.000 2.451 255 K HA 0.159 4.479 4.320 -0.000 0.000 0.280 255 K C 0.718 177.333 176.600 0.024 0.000 1.020 255 K CA -0.020 56.292 56.287 0.042 0.000 1.008 255 K CB 0.414 32.942 32.500 0.047 0.000 0.917 255 K HN 0.566 nan 8.250 nan 0.000 0.478 256 T N -1.433 113.122 114.554 0.003 0.000 2.844 256 T HA 0.340 4.690 4.350 -0.000 0.000 0.274 256 T C 1.112 175.815 174.700 0.005 0.000 0.991 256 T CA -0.830 61.259 62.100 -0.018 0.000 0.983 256 T CB 0.514 69.341 68.868 -0.067 0.000 1.310 256 T HN 0.199 nan 8.240 nan 0.000 0.596 257 L N 0.508 121.727 121.223 -0.008 0.000 2.478 257 L HA 0.305 4.645 4.340 -0.000 0.000 0.223 257 L C 1.551 178.435 176.870 0.024 0.000 1.140 257 L CA 1.036 55.887 54.840 0.018 0.000 0.842 257 L CB -1.036 41.027 42.059 0.007 0.000 0.953 257 L HN 0.630 nan 8.230 nan 0.000 0.452 258 N N -1.231 117.466 118.700 -0.004 0.000 2.276 258 N HA -0.039 4.701 4.740 -0.000 0.000 0.212 258 N C 1.514 177.026 175.510 0.004 0.000 1.127 258 N CA -0.091 52.953 53.050 -0.010 0.000 0.834 258 N CB 0.248 38.706 38.487 -0.047 0.000 1.014 258 N HN 0.469 nan 8.380 nan 0.000 0.491 259 Q N -0.257 119.565 119.800 0.036 0.000 2.119 259 Q HA -0.159 4.181 4.340 -0.000 0.000 0.201 259 Q C -0.149 175.910 176.000 0.099 0.000 0.972 259 Q CA 1.030 56.864 55.803 0.051 0.000 0.847 259 Q CB -0.069 28.703 28.738 0.056 0.000 0.903 259 Q HN 0.444 nan 8.270 nan 0.000 0.433 260 Y N 1.715 122.006 120.300 -0.014 0.000 2.373 260 Y HA 0.374 4.924 4.550 -0.000 0.000 0.336 260 Y C -2.621 173.276 175.900 -0.005 0.000 0.979 260 Y CA -3.196 54.898 58.100 -0.010 0.000 1.080 260 Y CB 1.730 40.187 38.460 -0.007 0.000 1.190 260 Y HN -0.059 nan 8.280 nan 0.000 0.446 261 P HA -0.102 nan 4.420 nan 0.000 0.255 261 P C 0.249 177.538 177.300 -0.018 0.000 1.141 261 P CA 1.886 64.833 63.100 -0.254 0.000 0.767 261 P CB -0.020 31.429 31.700 -0.419 0.000 0.726 262 A N 2.899 125.734 122.820 0.026 0.000 2.771 262 A HA -0.250 4.070 4.320 -0.000 0.000 0.294 262 A C 1.467 179.138 177.584 0.146 0.000 1.500 262 A CA 0.980 53.062 52.037 0.074 0.000 0.829 262 A CB -2.321 16.713 19.000 0.057 0.000 0.998 262 A HN 0.634 nan 8.150 nan 0.000 0.526 263 L N -1.055 120.286 121.223 0.196 0.000 2.051 263 L HA -0.271 4.069 4.340 -0.000 0.000 0.214 263 L C 2.674 179.634 176.870 0.151 0.000 1.076 263 L CA 2.656 57.618 54.840 0.204 0.000 0.758 263 L CB -0.514 41.656 42.059 0.184 0.000 0.890 263 L HN 0.758 nan 8.230 nan 0.000 0.433 264 T N -0.233 114.394 114.554 0.123 0.000 2.597 264 T HA -0.313 4.037 4.350 -0.000 0.000 0.267 264 T C 1.886 176.691 174.700 0.175 0.000 1.053 264 T CA 1.577 63.748 62.100 0.118 0.000 1.165 264 T CB -0.694 68.213 68.868 0.065 0.000 0.863 264 T HN 0.559 nan 8.240 nan 0.000 0.427 265 A N 1.935 124.853 122.820 0.163 0.000 1.948 265 A HA -0.216 4.104 4.320 -0.000 0.000 0.220 265 A C 2.369 180.102 177.584 0.249 0.000 1.177 265 A CA 1.692 53.863 52.037 0.223 0.000 0.636 265 A CB -0.506 18.590 19.000 0.159 0.000 0.815 265 A HN 0.469 nan 8.150 nan 0.000 0.449 266 E N 0.049 120.360 120.200 0.185 0.000 2.017 266 E HA -0.165 4.185 4.350 -0.000 0.000 0.193 266 E C 2.053 178.756 176.600 0.172 0.000 0.997 266 E CA 1.364 57.852 56.400 0.146 0.000 0.804 266 E CB -0.606 29.163 29.700 0.115 0.000 0.757 266 E HN 0.743 nan 8.360 nan 0.000 0.448 267 I N 0.953 121.652 120.570 0.215 0.000 2.194 267 I HA -0.284 3.886 4.170 -0.000 0.000 0.246 267 I C 2.460 178.829 176.117 0.420 0.000 1.093 267 I CA 1.156 62.643 61.300 0.311 0.000 1.355 267 I CB -0.405 37.771 38.000 0.294 0.000 1.046 267 I HN -0.016 nan 8.210 nan 0.000 0.413 268 F N 2.227 122.299 119.950 0.203 0.000 2.069 268 F HA -0.287 4.240 4.527 -0.000 0.000 0.298 268 F C 2.357 178.285 175.800 0.214 0.000 1.113 268 F CA 2.046 60.159 58.000 0.188 0.000 1.214 268 F CB -0.954 38.113 39.000 0.111 0.000 0.978 268 F HN 0.128 nan 8.300 nan 0.000 0.474 269 N N 0.433 119.078 118.700 -0.092 0.000 2.094 269 N HA -0.178 4.562 4.740 -0.000 0.000 0.191 269 N C 1.790 177.274 175.510 -0.043 0.000 1.023 269 N CA 2.176 55.107 53.050 -0.197 0.000 0.857 269 N CB -0.075 38.384 38.487 -0.048 0.000 1.013 269 N HN 0.303 nan 8.380 nan 0.000 0.426 270 V N 0.026 119.984 119.914 0.072 0.000 2.307 270 V HA -0.182 3.938 4.120 -0.000 0.000 0.245 270 V C 1.669 177.795 176.094 0.054 0.000 1.045 270 V CA 1.429 63.788 62.300 0.097 0.000 1.024 270 V CB -1.082 30.715 31.823 -0.043 0.000 0.651 270 V HN 0.278 nan 8.190 nan 0.000 0.449 271 Y N 0.657 121.037 120.300 0.134 0.000 2.516 271 Y HA 0.090 4.640 4.550 -0.000 0.000 0.291 271 Y C 1.839 177.895 175.900 0.261 0.000 1.131 271 Y CA 0.136 58.342 58.100 0.176 0.000 1.281 271 Y CB -0.334 38.233 38.460 0.177 0.000 1.013 271 Y HN 0.132 nan 8.280 nan 0.000 0.554 272 S N 0.682 116.519 115.700 0.228 0.000 2.563 272 S HA -0.088 4.382 4.470 -0.000 0.000 0.284 272 S C 0.935 175.810 174.600 0.458 0.000 1.331 272 S CA -0.480 57.823 58.200 0.172 0.000 1.047 272 S CB 0.306 63.353 63.200 -0.255 0.000 0.859 272 S HN 0.321 nan 8.310 nan 0.000 0.514 273 F N 3.066 123.219 119.950 0.338 0.000 2.039 273 F HA -0.050 4.477 4.527 -0.000 0.000 0.294 273 F C 1.924 177.911 175.800 0.311 0.000 1.130 273 F CA 1.840 60.036 58.000 0.327 0.000 1.189 273 F CB -0.171 38.963 39.000 0.223 0.000 0.983 273 F HN 0.761 nan 8.300 nan 0.000 0.471 274 R N -0.432 120.027 120.500 -0.067 0.000 1.254 274 R HA -0.301 4.039 4.340 -0.000 0.000 0.021 274 R C -0.643 175.331 176.300 -0.543 0.000 0.960 274 R CA 1.956 57.914 56.100 -0.236 0.000 1.975 274 R CB -2.105 28.022 30.300 -0.288 0.000 0.151 274 R HN 0.581 nan 8.270 nan 0.000 0.730 275 D N -2.109 117.755 120.400 -0.894 0.000 2.639 275 D HA 0.287 4.927 4.640 -0.000 0.000 0.271 275 D C 0.111 175.875 176.300 -0.894 0.000 1.254 275 D CA -0.477 52.976 54.000 -0.911 0.000 0.810 275 D CB 0.060 40.739 40.800 -0.203 0.000 1.351 275 D HN 0.234 nan 8.370 nan 0.000 0.427 276 H N -0.526 118.351 119.070 -0.322 0.000 2.319 276 H HA -0.102 4.454 4.556 -0.000 0.000 0.297 276 H C 1.494 176.756 175.328 -0.110 0.000 1.097 276 H CA 2.755 58.770 56.048 -0.055 0.000 1.285 276 H CB -0.495 29.289 29.762 0.036 0.000 1.368 276 H HN 0.482 nan 8.280 nan 0.000 0.495 277 T N 0.797 115.332 114.554 -0.031 0.000 2.555 277 T HA -0.281 4.069 4.350 -0.000 0.000 0.264 277 T C 1.830 176.403 174.700 -0.211 0.000 1.083 277 T CA 1.441 63.449 62.100 -0.154 0.000 1.179 277 T CB -0.769 67.972 68.868 -0.211 0.000 0.863 277 T HN 0.592 nan 8.240 nan 0.000 0.412 278 W N 1.809 122.802 121.300 -0.512 0.000 2.315 278 W HA -0.320 4.340 4.660 -0.000 0.000 0.323 278 W C 2.316 178.594 176.519 -0.402 0.000 1.233 278 W CA 1.956 58.862 57.345 -0.730 0.000 1.267 278 W CB -0.839 27.999 29.460 -1.037 0.000 1.160 278 W HN 0.473 nan 8.180 nan 0.000 0.474 279 H N -0.426 118.248 119.070 -0.660 0.000 2.287 279 H HA -0.193 4.363 4.556 -0.000 0.000 0.292 279 H C 2.495 177.530 175.328 -0.490 0.000 1.068 279 H CA 3.588 59.292 56.048 -0.573 0.000 1.192 279 H CB -1.013 28.616 29.762 -0.223 0.000 1.360 279 H HN 0.144 nan 8.280 nan 0.000 0.516 280 G N 1.303 110.010 108.800 -0.155 0.000 2.475 280 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.220 280 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.220 280 G C 1.797 176.546 174.900 -0.252 0.000 1.125 280 G CA 0.909 45.922 45.100 -0.145 0.000 0.755 280 G HN 0.440 nan 8.290 nan 0.000 0.565 281 L N 0.387 121.415 121.223 -0.326 0.000 1.973 281 L HA -0.017 4.323 4.340 -0.000 0.000 0.208 281 L C 2.824 179.422 176.870 -0.455 0.000 1.073 281 L CA 2.012 56.681 54.840 -0.286 0.000 0.746 281 L CB -0.641 41.295 42.059 -0.205 0.000 0.891 281 L HN 0.244 nan 8.230 nan 0.000 0.433 282 R N -0.334 119.644 120.500 -0.870 0.000 2.133 282 R HA -0.198 4.142 4.340 -0.000 0.000 0.247 282 R C 1.914 177.876 176.300 -0.563 0.000 1.151 282 R CA 2.357 57.911 56.100 -0.911 0.000 0.971 282 R CB -0.694 28.729 30.300 -1.462 0.000 0.866 282 R HN 0.445 nan 8.270 nan 0.000 0.447 283 T N 0.982 115.210 114.554 -0.542 0.000 2.614 283 T HA -0.108 4.242 4.350 -0.000 0.000 0.263 283 T C 1.892 176.458 174.700 -0.224 0.000 1.055 283 T CA 1.941 63.821 62.100 -0.367 0.000 1.162 283 T CB -0.569 68.082 68.868 -0.361 0.000 0.863 283 T HN 0.488 nan 8.240 nan 0.000 0.414 284 A N 0.831 123.540 122.820 -0.184 0.000 2.042 284 A HA -0.112 4.208 4.320 -0.000 0.000 0.222 284 A C 2.263 179.795 177.584 -0.087 0.000 1.167 284 A CA 1.415 53.393 52.037 -0.098 0.000 0.649 284 A CB -0.948 18.017 19.000 -0.058 0.000 0.809 284 A HN 0.586 nan 8.150 nan 0.000 0.457 285 I N -1.389 119.101 120.570 -0.134 0.000 2.162 285 I HA -0.208 3.962 4.170 -0.000 0.000 0.238 285 I C 2.574 178.635 176.117 -0.093 0.000 1.076 285 I CA 1.309 62.546 61.300 -0.105 0.000 1.353 285 I CB -0.402 37.514 38.000 -0.141 0.000 1.063 285 I HN 0.228 nan 8.210 nan 0.000 0.408 286 R N 1.038 121.460 120.500 -0.130 0.000 2.241 286 R HA -0.107 4.233 4.340 -0.000 0.000 0.224 286 R C 1.508 177.778 176.300 -0.050 0.000 1.101 286 R CA 0.803 56.846 56.100 -0.095 0.000 0.995 286 R CB -0.433 29.791 30.300 -0.127 0.000 0.870 286 R HN 0.379 nan 8.270 nan 0.000 0.463 287 N N 0.375 119.045 118.700 -0.050 0.000 2.571 287 N HA -0.068 4.672 4.740 -0.000 0.000 0.189 287 N C 0.933 176.436 175.510 -0.012 0.000 1.154 287 N CA 0.735 53.771 53.050 -0.023 0.000 0.907 287 N CB 0.199 38.672 38.487 -0.023 0.000 0.977 287 N HN 0.034 nan 8.380 nan 0.000 0.449 288 R N -0.517 119.974 120.500 -0.016 0.000 2.334 288 R HA 0.148 4.488 4.340 -0.000 0.000 0.212 288 R C 0.631 176.928 176.300 -0.005 0.000 0.897 288 R CA 0.212 56.307 56.100 -0.007 0.000 1.056 288 R CB 0.033 30.329 30.300 -0.008 0.000 1.046 288 R HN 0.262 nan 8.270 nan 0.000 0.513 289 T N -4.179 110.370 114.554 -0.007 0.000 2.919 289 T HA 0.221 4.571 4.350 -0.000 0.000 0.282 289 T C 1.182 175.890 174.700 0.013 0.000 1.020 289 T CA -0.174 61.926 62.100 -0.000 0.000 0.994 289 T CB 1.555 70.419 68.868 -0.007 0.000 1.180 289 T HN 0.089 nan 8.240 nan 0.000 0.566 290 T N -0.992 113.575 114.554 0.022 0.000 3.100 290 T HA 0.235 4.585 4.350 -0.000 0.000 0.253 290 T C 0.690 175.423 174.700 0.055 0.000 1.118 290 T CA -0.320 61.801 62.100 0.036 0.000 1.058 290 T CB -0.255 68.634 68.868 0.036 0.000 0.953 290 T HN 0.320 nan 8.240 nan 0.000 0.515 291 L N 3.150 124.406 121.223 0.056 0.000 2.371 291 L HA 0.403 4.743 4.340 -0.000 0.000 0.272 291 L C -2.124 174.814 176.870 0.113 0.000 1.124 291 L CA -2.550 52.349 54.840 0.097 0.000 0.816 291 L CB 0.120 42.236 42.059 0.095 0.000 1.129 291 L HN 0.075 nan 8.230 nan 0.000 0.448 292 P HA 0.031 nan 4.420 nan 0.000 0.266 292 P C 0.266 177.706 177.300 0.232 0.000 1.215 292 P CA -0.240 62.965 63.100 0.174 0.000 0.763 292 P CB 0.242 32.033 31.700 0.152 0.000 0.806 293 N N 4.527 123.295 118.700 0.114 0.000 2.334 293 N HA -0.206 4.534 4.740 -0.000 0.000 0.187 293 N C 1.029 176.568 175.510 0.048 0.000 1.016 293 N CA 1.792 54.860 53.050 0.029 0.000 0.879 293 N CB -0.754 37.723 38.487 -0.017 0.000 0.965 293 N HN 0.582 nan 8.380 nan 0.000 0.438 294 M N -3.314 116.438 119.600 0.255 0.000 2.722 294 M HA 0.388 4.868 4.480 -0.000 0.000 0.451 294 M C -1.060 175.572 176.300 0.554 0.000 1.225 294 M CA -0.263 55.268 55.300 0.386 0.000 0.874 294 M CB 0.701 33.420 32.600 0.199 0.000 1.736 294 M HN -0.162 nan 8.290 nan 0.000 0.584 295 L N 2.445 123.859 121.223 0.317 0.000 2.482 295 L HA 0.603 4.943 4.340 -0.000 0.000 0.269 295 L C -2.533 173.981 176.870 -0.593 0.000 0.967 295 L CA -1.625 53.142 54.840 -0.121 0.000 0.851 295 L CB 2.577 44.626 42.059 -0.016 0.000 1.242 295 L HN -0.155 nan 8.230 nan 0.000 0.404 296 P HA -0.080 nan 4.420 nan 0.000 0.249 296 P C -2.174 174.915 177.300 -0.352 0.000 1.140 296 P CA -0.378 62.224 63.100 -0.829 0.000 0.803 296 P CB -0.388 31.055 31.700 -0.430 0.000 0.745 297 P HA -0.078 nan 4.420 nan 0.000 0.261 297 P C 0.969 178.220 177.300 -0.082 0.000 1.173 297 P CA 0.484 63.552 63.100 -0.053 0.000 0.760 297 P CB 0.701 32.435 31.700 0.057 0.000 0.783 298 I N 2.083 122.568 120.570 -0.142 0.000 2.127 298 I HA -0.223 3.947 4.170 -0.000 0.000 0.241 298 I C 1.051 176.956 176.117 -0.354 0.000 1.075 298 I CA 1.527 62.631 61.300 -0.327 0.000 1.334 298 I CB -0.551 37.112 38.000 -0.560 0.000 1.040 298 I HN 0.175 nan 8.210 nan 0.000 0.405 299 F N 2.425 122.415 119.950 0.067 0.000 2.415 299 F HA 0.363 4.890 4.527 -0.000 0.000 0.348 299 F C -1.909 173.923 175.800 0.054 0.000 1.119 299 F CA -3.398 54.647 58.000 0.075 0.000 1.069 299 F CB -0.087 38.955 39.000 0.071 0.000 1.124 299 F HN -0.172 nan 8.300 nan 0.000 0.472 300 P HA 0.085 nan 4.420 nan 0.000 0.264 300 P C -2.535 174.844 177.300 0.132 0.000 1.193 300 P CA -0.754 62.430 63.100 0.140 0.000 0.763 300 P CB 0.131 31.892 31.700 0.101 0.000 0.810 301 P HA 0.058 nan 4.420 nan 0.000 0.272 301 P C 0.666 177.998 177.300 0.052 0.000 1.254 301 P CA 0.101 63.247 63.100 0.076 0.000 0.795 301 P CB 0.333 32.069 31.700 0.060 0.000 1.022 302 N N -1.141 117.579 118.700 0.033 0.000 1.986 302 N HA 0.017 4.757 4.740 -0.000 0.000 0.227 302 N C -1.117 174.382 175.510 -0.018 0.000 1.387 302 N CA -0.124 52.934 53.050 0.014 0.000 0.810 302 N CB 0.277 38.786 38.487 0.036 0.000 1.140 302 N HN 0.379 nan 8.380 nan 0.000 0.504 303 D N 0.335 120.727 120.400 -0.015 0.000 2.252 303 D HA 0.211 4.851 4.640 -0.000 0.000 0.245 303 D C 0.854 177.129 176.300 -0.043 0.000 1.009 303 D CA -0.619 53.361 54.000 -0.032 0.000 0.870 303 D CB 2.936 43.727 40.800 -0.016 0.000 1.251 303 D HN -0.115 nan 8.370 nan 0.000 0.460 304 R N 1.157 121.623 120.500 -0.057 0.000 2.143 304 R HA -0.251 4.089 4.340 -0.000 0.000 0.239 304 R C 0.835 177.101 176.300 -0.057 0.000 1.126 304 R CA 2.484 58.546 56.100 -0.063 0.000 0.927 304 R CB -0.382 29.880 30.300 -0.063 0.000 0.860 304 R HN 0.466 nan 8.270 nan 0.000 0.433 305 D N -0.056 120.318 120.400 -0.043 0.000 2.154 305 D HA -0.201 4.439 4.640 -0.000 0.000 0.190 305 D C 2.027 178.307 176.300 -0.034 0.000 1.003 305 D CA 1.992 55.970 54.000 -0.036 0.000 0.849 305 D CB -0.535 40.251 40.800 -0.024 0.000 0.942 305 D HN 0.230 nan 8.370 nan 0.000 0.446 306 S N 0.002 115.687 115.700 -0.024 0.000 2.354 306 S HA -0.122 4.348 4.470 -0.000 0.000 0.219 306 S C 2.051 176.632 174.600 -0.030 0.000 1.035 306 S CA 0.767 58.959 58.200 -0.013 0.000 1.037 306 S CB -0.205 63.001 63.200 0.009 0.000 0.956 306 S HN 0.189 nan 8.310 nan 0.000 0.428 307 I N 1.871 122.411 120.570 -0.050 0.000 2.118 307 I HA -0.190 3.980 4.170 -0.000 0.000 0.241 307 I C 2.330 178.365 176.117 -0.137 0.000 1.070 307 I CA 1.272 62.514 61.300 -0.098 0.000 1.327 307 I CB -1.749 36.172 38.000 -0.130 0.000 1.034 307 I HN 0.271 nan 8.210 nan 0.000 0.405 308 L N 0.559 121.708 121.223 -0.123 0.000 1.951 308 L HA -0.326 4.014 4.340 -0.000 0.000 0.222 308 L C 2.738 179.555 176.870 -0.090 0.000 1.078 308 L CA 2.608 57.378 54.840 -0.117 0.000 0.778 308 L CB -0.637 41.371 42.059 -0.084 0.000 0.893 308 L HN 0.295 nan 8.230 nan 0.000 0.436 309 T N 0.480 114.997 114.554 -0.063 0.000 2.649 309 T HA -0.293 4.057 4.350 -0.000 0.000 0.268 309 T C 1.840 176.512 174.700 -0.046 0.000 1.036 309 T CA 1.961 64.033 62.100 -0.047 0.000 1.157 309 T CB -0.481 68.364 68.868 -0.039 0.000 0.861 309 T HN 0.253 nan 8.240 nan 0.000 0.445 310 L N 0.014 121.209 121.223 -0.047 0.000 2.012 310 L HA -0.093 4.247 4.340 -0.000 0.000 0.210 310 L C 2.573 179.423 176.870 -0.034 0.000 1.073 310 L CA 1.230 56.051 54.840 -0.032 0.000 0.748 310 L CB -0.640 41.414 42.059 -0.009 0.000 0.891 310 L HN 0.240 nan 8.230 nan 0.000 0.431 311 L N -1.044 120.132 121.223 -0.078 0.000 1.989 311 L HA -0.264 4.076 4.340 -0.000 0.000 0.211 311 L C 2.527 179.375 176.870 -0.037 0.000 1.071 311 L CA 1.033 55.824 54.840 -0.082 0.000 0.749 311 L CB -0.483 41.475 42.059 -0.169 0.000 0.890 311 L HN 0.186 nan 8.230 nan 0.000 0.431 312 L N -0.642 120.557 121.223 -0.039 0.000 1.970 312 L HA -0.258 4.082 4.340 -0.000 0.000 0.212 312 L C 2.397 179.275 176.870 0.013 0.000 1.071 312 L CA 1.748 56.577 54.840 -0.019 0.000 0.751 312 L CB -0.966 41.078 42.059 -0.026 0.000 0.889 312 L HN 0.159 nan 8.230 nan 0.000 0.432 313 L N -1.269 119.969 121.223 0.024 0.000 2.043 313 L HA -0.296 4.044 4.340 -0.000 0.000 0.212 313 L C 2.757 179.707 176.870 0.133 0.000 1.075 313 L CA 1.696 56.592 54.840 0.093 0.000 0.752 313 L CB -0.423 41.663 42.059 0.045 0.000 0.891 313 L HN 0.403 nan 8.230 nan 0.000 0.432 314 S N -1.041 114.698 115.700 0.065 0.000 2.370 314 S HA -0.197 4.273 4.470 -0.000 0.000 0.226 314 S C 1.866 176.470 174.600 0.007 0.000 1.033 314 S CA 2.094 60.319 58.200 0.042 0.000 1.011 314 S CB -0.180 63.041 63.200 0.035 0.000 0.852 314 S HN 0.515 nan 8.310 nan 0.000 0.457 315 T N 2.499 117.061 114.554 0.013 0.000 2.770 315 T HA 0.018 4.368 4.350 -0.000 0.000 0.263 315 T C 1.722 176.425 174.700 0.004 0.000 1.039 315 T CA 1.193 63.295 62.100 0.002 0.000 1.142 315 T CB -0.601 68.270 68.868 0.004 0.000 0.868 315 T HN 0.347 nan 8.240 nan 0.000 0.435 316 L N 1.647 122.892 121.223 0.037 0.000 2.187 316 L HA 0.027 4.367 4.340 -0.000 0.000 0.213 316 L C 2.497 179.420 176.870 0.087 0.000 1.100 316 L CA 1.548 56.439 54.840 0.085 0.000 0.765 316 L CB -0.944 41.190 42.059 0.125 0.000 0.904 316 L HN 0.240 nan 8.230 nan 0.000 0.437 317 A N -0.686 122.076 122.820 -0.096 0.000 1.877 317 A HA -0.202 4.118 4.320 -0.000 0.000 0.216 317 A C 2.005 179.379 177.584 -0.351 0.000 1.186 317 A CA 1.797 53.472 52.037 -0.603 0.000 0.620 317 A CB -0.796 17.858 19.000 -0.577 0.000 0.822 317 A HN 0.549 nan 8.150 nan 0.000 0.443 318 D N -0.085 120.211 120.400 -0.172 0.000 2.144 318 D HA -0.114 4.526 4.640 -0.000 0.000 0.199 318 D C 2.092 178.361 176.300 -0.052 0.000 0.984 318 D CA 1.484 55.419 54.000 -0.108 0.000 0.834 318 D CB -0.463 40.300 40.800 -0.061 0.000 0.955 318 D HN 0.230 nan 8.370 nan 0.000 0.465 319 V N 0.893 120.814 119.914 0.012 0.000 2.287 319 V HA -0.290 3.830 4.120 -0.000 0.000 0.248 319 V C 2.286 178.446 176.094 0.110 0.000 1.053 319 V CA 1.523 63.869 62.300 0.077 0.000 1.027 319 V CB -0.751 31.149 31.823 0.129 0.000 0.646 319 V HN 0.170 nan 8.190 nan 0.000 0.447 320 Y N 1.513 121.834 120.300 0.036 0.000 2.193 320 Y HA -0.303 4.247 4.550 -0.000 0.000 0.285 320 Y C 2.595 178.342 175.900 -0.255 0.000 1.166 320 Y CA 2.316 60.311 58.100 -0.175 0.000 1.181 320 Y CB -0.554 37.727 38.460 -0.298 0.000 0.976 320 Y HN 0.292 nan 8.280 nan 0.000 0.520 321 T N -0.020 114.468 114.554 -0.110 0.000 2.674 321 T HA -0.215 4.135 4.350 -0.000 0.000 0.265 321 T C 2.046 176.641 174.700 -0.176 0.000 1.039 321 T CA 2.383 64.393 62.100 -0.149 0.000 1.150 321 T CB -1.026 67.770 68.868 -0.121 0.000 0.864 321 T HN 0.410 nan 8.240 nan 0.000 0.427 322 V N 0.315 120.151 119.914 -0.129 0.000 2.453 322 V HA 0.061 4.181 4.120 -0.000 0.000 0.247 322 V C 2.291 178.301 176.094 -0.140 0.000 1.048 322 V CA 1.304 63.538 62.300 -0.111 0.000 1.049 322 V CB -1.133 30.649 31.823 -0.069 0.000 0.672 322 V HN 0.411 nan 8.190 nan 0.000 0.457 323 L N -0.352 120.769 121.223 -0.169 0.000 2.313 323 L HA 0.158 4.498 4.340 -0.000 0.000 0.214 323 L C 1.351 178.046 176.870 -0.293 0.000 1.119 323 L CA 0.473 55.200 54.840 -0.189 0.000 0.809 323 L CB -0.439 41.546 42.059 -0.124 0.000 0.933 323 L HN 0.378 nan 8.230 nan 0.000 0.449 324 R N -1.483 118.760 120.500 -0.428 0.000 3.405 324 R HA -0.140 4.200 4.340 -0.000 0.000 0.258 324 R C -2.194 173.826 176.300 -0.467 0.000 1.030 324 R CA 0.134 55.955 56.100 -0.464 0.000 0.691 324 R CB -2.378 27.766 30.300 -0.261 0.000 1.093 324 R HN 0.346 nan 8.270 nan 0.000 0.448 325 P HA 0.075 nan 4.420 nan 0.000 0.269 325 P C -0.356 176.816 177.300 -0.214 0.000 1.215 325 P CA 0.452 63.325 63.100 -0.379 0.000 0.780 325 P CB 0.702 32.101 31.700 -0.502 0.000 0.898 326 E N 1.571 121.784 120.200 0.022 0.000 2.283 326 E HA 0.467 4.817 4.350 -0.000 0.000 0.258 326 E C -0.826 175.922 176.600 0.247 0.000 0.893 326 E CA -0.384 56.027 56.400 0.017 0.000 0.798 326 E CB 0.939 30.629 29.700 -0.017 0.000 1.242 326 E HN 0.425 nan 8.360 nan 0.000 0.414 327 F N 0.404 120.391 119.950 0.061 0.000 2.779 327 F HA 0.830 5.357 4.527 -0.000 0.000 0.316 327 F C -1.259 174.601 175.800 0.101 0.000 1.164 327 F CA -1.351 56.726 58.000 0.130 0.000 0.924 327 F CB 0.570 39.741 39.000 0.286 0.000 1.348 327 F HN 0.306 nan 8.300 nan 0.000 0.467 328 A N 1.150 124.115 122.820 0.241 0.000 2.299 328 A HA 0.952 5.272 4.320 -0.000 0.000 0.332 328 A C -1.050 176.599 177.584 0.110 0.000 1.131 328 A CA -0.823 51.264 52.037 0.083 0.000 0.844 328 A CB 1.341 20.383 19.000 0.070 0.000 1.251 328 A HN 0.817 nan 8.150 nan 0.000 0.486 329 M N 0.670 120.268 119.600 -0.003 0.000 2.531 329 M HA 0.315 4.795 4.480 -0.000 0.000 0.286 329 M C -1.151 175.110 176.300 -0.064 0.000 1.232 329 M CA -0.476 54.788 55.300 -0.060 0.000 0.877 329 M CB 2.057 34.663 32.600 0.010 0.000 1.726 329 M HN 0.717 nan 8.290 nan 0.000 0.463 330 H N 1.255 120.369 119.070 0.074 0.000 3.046 330 H HA 0.266 4.822 4.556 -0.000 0.000 0.303 330 H C 1.198 176.548 175.328 0.037 0.000 1.002 330 H CA 1.556 57.633 56.048 0.049 0.000 1.460 330 H CB 0.132 29.920 29.762 0.043 0.000 1.493 330 H HN 0.952 nan 8.280 nan 0.000 0.559 331 G N 2.617 111.507 108.800 0.150 0.000 2.195 331 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.246 331 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.246 331 G C 0.039 174.976 174.900 0.063 0.000 0.984 331 G CA 0.153 45.306 45.100 0.089 0.000 0.633 331 G HN 0.556 nan 8.290 nan 0.000 0.525 332 V N 1.771 121.718 119.914 0.054 0.000 2.383 332 V HA 0.501 4.621 4.120 -0.000 0.000 0.275 332 V C 0.046 176.142 176.094 0.002 0.000 1.036 332 V CA -0.835 61.487 62.300 0.036 0.000 0.889 332 V CB 1.604 33.444 31.823 0.027 0.000 0.985 332 V HN 0.336 nan 8.190 nan 0.000 0.459 333 N N 5.743 124.425 118.700 -0.029 0.000 2.524 333 N HA 0.474 5.214 4.740 -0.000 0.000 0.261 333 N C -2.808 172.576 175.510 -0.209 0.000 0.998 333 N CA -1.015 51.988 53.050 -0.078 0.000 0.915 333 N CB 2.763 41.216 38.487 -0.056 0.000 1.187 333 N HN 0.425 nan 8.380 nan 0.000 0.507 334 P HA 0.366 nan 4.420 nan 0.000 0.294 334 P C -0.215 176.936 177.300 -0.249 0.000 1.294 334 P CA -0.555 62.335 63.100 -0.350 0.000 0.827 334 P CB 0.851 32.470 31.700 -0.134 0.000 0.992 335 M N 3.551 122.975 119.600 -0.292 0.000 2.233 335 M HA 0.344 4.824 4.480 -0.000 0.000 0.355 335 M C -1.643 174.644 176.300 -0.023 0.000 1.191 335 M CA -1.942 53.295 55.300 -0.106 0.000 1.101 335 M CB 0.215 32.782 32.600 -0.056 0.000 1.592 335 M HN 0.211 nan 8.290 nan 0.000 0.461 336 P HA 0.035 nan 4.420 nan 0.000 0.197 336 P C 0.987 178.304 177.300 0.028 0.000 1.043 336 P CA 0.809 63.914 63.100 0.008 0.000 0.815 336 P CB -0.571 31.129 31.700 -0.001 0.000 0.666 337 G N 1.170 109.983 108.800 0.022 0.000 2.555 337 G HA2 -0.184 3.776 3.960 -0.000 0.000 1.020 337 G HA3 -0.184 3.776 3.960 -0.000 0.000 1.020 337 G C -1.777 173.148 174.900 0.040 0.000 1.309 337 G CA 0.591 45.707 45.100 0.028 0.000 0.835 337 G HN 0.395 nan 8.290 nan 0.000 0.665 338 P HA 0.383 nan 4.420 nan 0.000 0.277 338 P C 0.795 178.140 177.300 0.075 0.000 1.276 338 P CA -0.717 62.413 63.100 0.049 0.000 0.788 338 P CB 0.330 32.053 31.700 0.039 0.000 1.114 339 L N -1.172 120.100 121.223 0.081 0.000 2.296 339 L HA 0.187 4.527 4.340 -0.000 0.000 0.193 339 L C 0.340 177.270 176.870 0.099 0.000 1.123 339 L CA 1.751 56.662 54.840 0.117 0.000 0.805 339 L CB -1.796 40.339 42.059 0.127 0.000 1.004 339 L HN 0.776 nan 8.230 nan 0.000 0.478 340 T N -2.738 111.861 114.554 0.075 0.000 0.543 340 T HA -0.198 4.152 4.350 -0.000 0.000 0.774 340 T C 0.840 175.565 174.700 0.043 0.000 0.992 340 T CA 0.361 62.492 62.100 0.052 0.000 4.075 340 T CB -1.084 67.807 68.868 0.038 0.000 2.302 340 T HN 0.625 nan 8.240 nan 0.000 0.398 341 A N 3.999 126.840 122.820 0.035 0.000 1.986 341 A HA 0.231 4.551 4.320 -0.000 0.000 0.220 341 A C 2.787 180.362 177.584 -0.016 0.000 1.171 341 A CA 2.794 54.843 52.037 0.019 0.000 0.640 341 A CB -1.393 17.620 19.000 0.020 0.000 0.811 341 A HN 2.296 nan 8.150 nan 0.000 0.451 342 A N 0.379 123.194 122.820 -0.008 0.000 1.849 342 A HA -0.209 4.111 4.320 -0.000 0.000 0.217 342 A C 2.100 179.658 177.584 -0.043 0.000 1.202 342 A CA 1.842 53.868 52.037 -0.018 0.000 0.629 342 A CB -0.792 18.206 19.000 -0.002 0.000 0.834 342 A HN 0.552 nan 8.150 nan 0.000 0.447 343 I N -0.350 120.199 120.570 -0.034 0.000 2.361 343 I HA -0.262 3.908 4.170 -0.000 0.000 0.251 343 I C 2.897 178.872 176.117 -0.237 0.000 1.133 343 I CA 0.952 62.218 61.300 -0.055 0.000 1.413 343 I CB -0.458 37.566 38.000 0.041 0.000 1.073 343 I HN 0.389 nan 8.210 nan 0.000 0.424 344 A N 1.192 123.830 122.820 -0.303 0.000 1.873 344 A HA -0.245 4.075 4.320 -0.000 0.000 0.215 344 A C 2.375 179.746 177.584 -0.356 0.000 1.186 344 A CA 1.886 53.535 52.037 -0.646 0.000 0.616 344 A CB -0.551 18.273 19.000 -0.294 0.000 0.823 344 A HN 0.314 nan 8.150 nan 0.000 0.442 345 R N 0.297 120.712 120.500 -0.142 0.000 2.094 345 R HA -0.116 4.224 4.340 -0.000 0.000 0.239 345 R C 2.084 178.371 176.300 -0.022 0.000 1.137 345 R CA 2.150 58.222 56.100 -0.048 0.000 0.943 345 R CB -0.845 29.427 30.300 -0.048 0.000 0.850 345 R HN 0.384 nan 8.270 nan 0.000 0.433 346 A N -0.007 122.763 122.820 -0.083 0.000 2.076 346 A HA -0.026 4.294 4.320 -0.000 0.000 0.220 346 A C 2.286 179.802 177.584 -0.114 0.000 1.160 346 A CA 1.606 53.602 52.037 -0.068 0.000 0.653 346 A CB -0.848 18.120 19.000 -0.054 0.000 0.801 346 A HN 0.556 nan 8.150 nan 0.000 0.455 347 A N -1.166 121.481 122.820 -0.288 0.000 1.930 347 A HA 0.034 4.354 4.320 -0.000 0.000 0.217 347 A C 0.827 178.180 177.584 -0.386 0.000 1.175 347 A CA 0.522 52.251 52.037 -0.513 0.000 0.627 347 A CB -0.562 17.707 19.000 -1.218 0.000 0.815 347 A HN 0.493 nan 8.150 nan 0.000 0.443 348 Y N 1.020 121.216 120.300 -0.175 0.000 2.530 348 Y HA 0.366 4.916 4.550 -0.000 0.000 0.340 348 Y C 0.787 176.699 175.900 0.020 0.000 1.247 348 Y CA -0.034 58.076 58.100 0.017 0.000 1.727 348 Y CB -1.148 37.334 38.460 0.037 0.000 1.613 348 Y HN 0.111 nan 8.280 nan 0.000 0.464 349 V N 0.000 119.981 119.914 0.111 0.000 2.409 349 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 349 V CA 0.000 62.347 62.300 0.079 0.000 1.235 349 V CB 0.000 31.876 31.823 0.088 0.000 1.184 349 V HN 0.000 nan 8.190 nan 0.000 0.556