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 2wpb_1_D DATA FIRST_RESID 2 DATA SEQUENCE ATNLRGVMAA LLTPFDQQQA LDKASLRRLV QFNIQQGIDG LYVGGSTGEA DATA SEQUENCE FVQSLSEREQ VLEIVAEEAK GKIKLIAHVG CVSTAESQQL AASAKRYGFD DATA SEQUENCE AVSAVTPFYY PFSFEEHCDH YRAIIDSADG LPMVVYNIPA LSGVKLTLDQ DATA SEQUENCE INTLVTLPGV GALXQTSGDL YQMEQIRREH PDLVLYNGYD NIFASGLLAG DATA SEQUENCE ADGGIGSTYN IMGWRYQGIV KALKEGDIQT AQKLQTECNK VIDLLIKTGV DATA SEQUENCE FRGLKTVLHY MDVVSVPLCR KPFGPVDEKY LPELKALAQQ LMQER 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.593 177.584 0.015 0.000 1.274 2 A CA 0.000 52.048 52.037 0.019 0.000 0.836 2 A CB 0.000 19.018 19.000 0.030 0.000 0.831 3 T N 1.748 116.306 114.554 0.007 0.000 2.736 3 T HA -0.301 4.048 4.350 -0.000 0.000 0.265 3 T C 1.706 176.417 174.700 0.018 0.000 1.031 3 T CA 2.454 64.557 62.100 0.005 0.000 1.155 3 T CB -0.565 68.308 68.868 0.007 0.000 0.849 3 T HN 0.915 nan 8.240 nan 0.000 0.471 4 N N 1.564 120.281 118.700 0.029 0.000 2.520 4 N HA -0.017 4.722 4.740 -0.000 0.000 0.185 4 N C 1.365 176.913 175.510 0.064 0.000 1.068 4 N CA 0.621 53.696 53.050 0.041 0.000 0.911 4 N CB -0.832 37.678 38.487 0.038 0.000 0.961 4 N HN 0.402 nan 8.380 nan 0.000 0.446 5 L N -0.807 120.461 121.223 0.075 0.000 2.558 5 L HA 0.160 4.499 4.340 -0.000 0.000 0.225 5 L C 1.120 178.084 176.870 0.157 0.000 1.128 5 L CA -0.339 54.584 54.840 0.138 0.000 0.868 5 L CB -0.130 42.029 42.059 0.166 0.000 1.006 5 L HN 0.136 nan 8.230 nan 0.000 0.454 6 R N 1.081 121.619 120.500 0.064 0.000 2.522 6 R HA 0.371 4.710 4.340 -0.000 0.000 0.284 6 R C 0.128 176.509 176.300 0.134 0.000 1.032 6 R CA 0.958 57.080 56.100 0.036 0.000 1.049 6 R CB 0.379 30.678 30.300 -0.001 0.000 0.956 6 R HN 0.189 nan 8.270 nan 0.000 0.422 7 G N 1.449 110.377 108.800 0.213 0.000 2.352 7 G HA2 0.033 3.993 3.960 -0.000 0.000 0.283 7 G HA3 0.033 3.993 3.960 -0.000 0.000 0.283 7 G C -1.653 173.422 174.900 0.292 0.000 1.308 7 G CA -0.600 44.630 45.100 0.216 0.000 0.892 7 G HN 0.458 nan 8.290 nan 0.000 0.504 8 V N 2.162 122.196 119.914 0.200 0.000 2.320 8 V HA 0.529 4.649 4.120 -0.000 0.000 0.265 8 V C 0.012 176.203 176.094 0.162 0.000 1.048 8 V CA -0.326 62.068 62.300 0.155 0.000 0.865 8 V CB 0.849 32.647 31.823 -0.043 0.000 1.043 8 V HN 0.565 nan 8.190 nan 0.000 0.474 9 M N 4.075 123.802 119.600 0.212 0.000 2.149 9 M HA 0.585 5.065 4.480 -0.000 0.000 0.342 9 M C 0.182 176.555 176.300 0.123 0.000 1.068 9 M CA -0.644 54.722 55.300 0.110 0.000 0.991 9 M CB 1.326 33.897 32.600 -0.049 0.000 1.596 9 M HN 0.555 nan 8.290 nan 0.000 0.439 10 A N 2.881 125.780 122.820 0.131 0.000 2.450 10 A HA 0.604 4.923 4.320 -0.000 0.000 0.255 10 A C 0.498 178.031 177.584 -0.085 0.000 1.096 10 A CA -0.396 51.652 52.037 0.019 0.000 0.778 10 A CB 0.081 19.130 19.000 0.081 0.000 1.031 10 A HN 0.940 nan 8.150 nan 0.000 0.494 11 A N 3.118 125.806 122.820 -0.221 0.000 2.437 11 A HA 0.475 4.795 4.320 -0.000 0.000 0.303 11 A C 0.071 177.589 177.584 -0.109 0.000 1.324 11 A CA -0.380 51.577 52.037 -0.133 0.000 0.983 11 A CB -0.525 18.329 19.000 -0.244 0.000 1.142 11 A HN 1.095 nan 8.150 nan 0.000 0.541 12 L N 3.314 124.501 121.223 -0.059 0.000 2.499 12 L HA 0.235 4.575 4.340 -0.000 0.000 0.273 12 L C -0.038 176.745 176.870 -0.145 0.000 1.195 12 L CA 0.433 55.227 54.840 -0.076 0.000 0.882 12 L CB 0.188 42.219 42.059 -0.047 0.000 1.133 12 L HN 0.604 nan 8.230 nan 0.000 0.483 13 L N 4.167 125.296 121.223 -0.157 0.000 2.417 13 L HA 0.315 4.655 4.340 -0.000 0.000 0.268 13 L C 0.468 177.190 176.870 -0.246 0.000 1.158 13 L CA -0.108 54.598 54.840 -0.223 0.000 0.819 13 L CB 0.682 42.632 42.059 -0.182 0.000 1.112 13 L HN 0.586 nan 8.230 nan 0.000 0.458 14 T N 3.076 117.426 114.554 -0.339 0.000 2.753 14 T HA 0.334 4.684 4.350 -0.000 0.000 0.297 14 T C -2.406 171.835 174.700 -0.765 0.000 0.981 14 T CA -1.211 60.596 62.100 -0.490 0.000 0.956 14 T CB 1.037 69.603 68.868 -0.504 0.000 0.936 14 T HN 0.261 nan 8.240 nan 0.000 0.463 15 P HA 0.419 nan 4.420 nan 0.000 0.275 15 P C -0.878 176.059 177.300 -0.605 0.000 1.227 15 P CA -0.313 62.508 63.100 -0.465 0.000 0.781 15 P CB 0.442 31.999 31.700 -0.238 0.000 0.906 16 F N 0.545 120.467 119.950 -0.047 0.000 2.611 16 F HA 0.408 4.934 4.527 -0.000 0.000 0.324 16 F C 0.587 176.364 175.800 -0.039 0.000 1.061 16 F CA -0.607 57.373 58.000 -0.034 0.000 0.954 16 F CB 0.977 39.964 39.000 -0.022 0.000 1.301 16 F HN 0.256 nan 8.300 nan 0.000 0.482 17 D N -0.496 120.013 120.400 0.183 0.000 2.487 17 D HA 0.235 4.875 4.640 -0.000 0.000 0.262 17 D C 0.597 176.933 176.300 0.060 0.000 1.130 17 D CA -0.561 53.486 54.000 0.078 0.000 1.038 17 D CB 0.601 41.431 40.800 0.051 0.000 1.142 17 D HN 0.460 nan 8.370 nan 0.000 0.575 18 Q N -1.206 118.608 119.800 0.023 0.000 2.364 18 Q HA -0.116 4.224 4.340 -0.000 0.000 0.207 18 Q C 1.233 177.238 176.000 0.007 0.000 0.970 18 Q CA 1.431 57.240 55.803 0.010 0.000 0.888 18 Q CB -0.069 28.668 28.738 -0.001 0.000 0.951 18 Q HN 0.378 nan 8.270 nan 0.000 0.469 19 Q N -0.093 119.714 119.800 0.013 0.000 2.444 19 Q HA -0.001 4.339 4.340 -0.000 0.000 0.206 19 Q C 0.097 176.091 176.000 -0.009 0.000 0.948 19 Q CA 0.492 56.297 55.803 0.004 0.000 0.946 19 Q CB 0.347 29.091 28.738 0.009 0.000 1.027 19 Q HN 0.463 nan 8.270 nan 0.000 0.513 20 Q N -2.293 117.502 119.800 -0.008 0.000 2.374 20 Q HA -0.181 4.159 4.340 -0.000 0.000 0.218 20 Q C 0.028 175.999 176.000 -0.049 0.000 0.691 20 Q CA 1.013 56.764 55.803 -0.088 0.000 1.340 20 Q CB -2.297 26.347 28.738 -0.157 0.000 1.498 20 Q HN 0.422 nan 8.270 nan 0.000 0.739 21 A N 0.845 123.702 122.820 0.062 0.000 2.332 21 A HA 0.519 4.839 4.320 -0.000 0.000 0.258 21 A C 0.676 178.427 177.584 0.277 0.000 1.087 21 A CA -0.408 51.701 52.037 0.120 0.000 0.802 21 A CB 0.301 19.343 19.000 0.070 0.000 1.042 21 A HN 0.258 nan 8.150 nan 0.000 0.489 22 L N 1.071 122.452 121.223 0.263 0.000 2.559 22 L HA 0.012 4.352 4.340 -0.000 0.000 0.282 22 L C 0.132 177.043 176.870 0.069 0.000 1.232 22 L CA 0.238 55.184 54.840 0.177 0.000 0.885 22 L CB 0.179 42.287 42.059 0.081 0.000 1.131 22 L HN 0.696 nan 8.230 nan 0.000 0.498 23 D N 2.919 123.311 120.400 -0.014 0.000 2.472 23 D HA 0.149 4.789 4.640 -0.000 0.000 0.234 23 D C 0.568 176.832 176.300 -0.061 0.000 1.088 23 D CA -0.364 53.619 54.000 -0.029 0.000 0.882 23 D CB 1.010 41.789 40.800 -0.035 0.000 1.037 23 D HN 0.366 nan 8.370 nan 0.000 0.520 24 K N 1.805 122.181 120.400 -0.040 0.000 2.167 24 K HA 0.032 4.352 4.320 -0.000 0.000 0.203 24 K C 1.750 178.325 176.600 -0.042 0.000 1.052 24 K CA 0.767 57.026 56.287 -0.046 0.000 0.956 24 K CB 0.286 32.766 32.500 -0.033 0.000 0.735 24 K HN 0.371 nan 8.250 nan 0.000 0.451 25 A N 1.140 123.941 122.820 -0.032 0.000 1.898 25 A HA -0.111 4.208 4.320 -0.000 0.000 0.216 25 A C 2.162 179.727 177.584 -0.032 0.000 1.181 25 A CA 1.613 53.635 52.037 -0.026 0.000 0.620 25 A CB -0.408 18.582 19.000 -0.016 0.000 0.819 25 A HN 0.137 nan 8.150 nan 0.000 0.442 26 S N -0.373 115.301 115.700 -0.043 0.000 2.383 26 S HA -0.113 4.356 4.470 -0.000 0.000 0.227 26 S C 1.836 176.395 174.600 -0.068 0.000 1.026 26 S CA 1.264 59.430 58.200 -0.056 0.000 0.981 26 S CB -0.421 62.739 63.200 -0.067 0.000 0.818 26 S HN 0.489 nan 8.310 nan 0.000 0.472 27 L N 2.341 123.515 121.223 -0.081 0.000 1.989 27 L HA -0.097 4.243 4.340 -0.000 0.000 0.211 27 L C 2.246 179.087 176.870 -0.047 0.000 1.071 27 L CA 1.784 56.574 54.840 -0.083 0.000 0.749 27 L CB -0.502 41.498 42.059 -0.098 0.000 0.890 27 L HN 0.120 nan 8.230 nan 0.000 0.431 28 R N -0.924 119.553 120.500 -0.037 0.000 2.083 28 R HA -0.179 4.161 4.340 -0.000 0.000 0.237 28 R C 2.511 178.811 176.300 0.001 0.000 1.137 28 R CA 1.762 57.850 56.100 -0.020 0.000 0.951 28 R CB -0.444 29.843 30.300 -0.021 0.000 0.851 28 R HN 0.367 nan 8.270 nan 0.000 0.434 29 R N 0.585 121.084 120.500 -0.001 0.000 2.081 29 R HA -0.141 4.198 4.340 -0.000 0.000 0.235 29 R C 2.244 178.575 176.300 0.053 0.000 1.131 29 R CA 1.171 57.283 56.100 0.020 0.000 0.960 29 R CB -0.260 30.034 30.300 -0.009 0.000 0.856 29 R HN 0.099 nan 8.270 nan 0.000 0.436 30 L N 0.382 121.615 121.223 0.018 0.000 2.093 30 L HA -0.117 4.223 4.340 -0.000 0.000 0.208 30 L C 1.956 178.892 176.870 0.111 0.000 1.085 30 L CA 1.435 56.306 54.840 0.052 0.000 0.755 30 L CB -0.262 41.788 42.059 -0.015 0.000 0.904 30 L HN -0.038 nan 8.230 nan 0.000 0.435 31 V N -0.525 119.423 119.914 0.056 0.000 2.261 31 V HA -0.291 3.828 4.120 -0.000 0.000 0.246 31 V C 2.666 178.802 176.094 0.071 0.000 1.047 31 V CA 1.747 64.076 62.300 0.048 0.000 1.015 31 V CB -0.719 31.110 31.823 0.009 0.000 0.642 31 V HN 0.490 nan 8.190 nan 0.000 0.446 32 Q N -1.038 118.807 119.800 0.076 0.000 2.124 32 Q HA -0.179 4.161 4.340 -0.000 0.000 0.202 32 Q C 2.059 178.126 176.000 0.110 0.000 0.977 32 Q CA 1.700 57.546 55.803 0.072 0.000 0.850 32 Q CB -0.642 28.134 28.738 0.063 0.000 0.901 32 Q HN 0.663 nan 8.270 nan 0.000 0.429 33 F N 2.177 122.137 119.950 0.016 0.000 2.126 33 F HA -0.186 4.340 4.527 -0.001 0.000 0.299 33 F C 1.874 177.708 175.800 0.057 0.000 1.096 33 F CA 1.234 59.256 58.000 0.037 0.000 1.255 33 F CB -0.155 38.869 39.000 0.040 0.000 0.997 33 F HN 0.121 nan 8.300 nan 0.000 0.479 34 N N 0.656 119.436 118.700 0.133 0.000 2.120 34 N HA -0.172 4.567 4.740 -0.000 0.000 0.188 34 N C 2.095 177.597 175.510 -0.013 0.000 1.024 34 N CA 1.817 54.897 53.050 0.050 0.000 0.852 34 N CB -0.306 38.238 38.487 0.094 0.000 1.003 34 N HN 0.355 nan 8.380 nan 0.000 0.424 35 I N 1.687 122.255 120.570 -0.004 0.000 2.179 35 I HA -0.273 3.897 4.170 -0.000 0.000 0.242 35 I C 2.282 178.371 176.117 -0.046 0.000 1.088 35 I CA 1.154 62.445 61.300 -0.016 0.000 1.357 35 I CB -0.238 37.757 38.000 -0.009 0.000 1.051 35 I HN 0.118 nan 8.210 nan 0.000 0.409 36 Q N 0.182 119.936 119.800 -0.078 0.000 2.181 36 Q HA -0.263 4.076 4.340 -0.000 0.000 0.205 36 Q C 2.086 177.997 176.000 -0.148 0.000 0.980 36 Q CA 1.238 56.974 55.803 -0.112 0.000 0.862 36 Q CB -0.148 28.515 28.738 -0.126 0.000 0.905 36 Q HN 0.560 nan 8.270 nan 0.000 0.429 37 Q N -0.943 118.748 119.800 -0.182 0.000 2.437 37 Q HA -0.056 4.284 4.340 -0.000 0.000 0.210 37 Q C 0.809 176.816 176.000 0.012 0.000 0.972 37 Q CA 0.674 56.423 55.803 -0.090 0.000 0.903 37 Q CB 0.264 28.980 28.738 -0.036 0.000 0.967 37 Q HN 0.590 nan 8.270 nan 0.000 0.486 38 G N 0.649 109.444 108.800 -0.008 0.000 2.144 38 G HA2 -0.243 3.716 3.960 -0.000 0.000 0.218 38 G HA3 -0.243 3.716 3.960 -0.000 0.000 0.218 38 G C -0.017 174.899 174.900 0.026 0.000 0.988 38 G CA -0.218 44.890 45.100 0.014 0.000 0.659 38 G HN 0.258 nan 8.290 nan 0.000 0.522 39 I N 1.282 121.867 120.570 0.026 0.000 2.892 39 I HA 0.269 4.439 4.170 -0.000 0.000 0.287 39 I C 1.196 177.335 176.117 0.038 0.000 1.205 39 I CA -0.126 61.196 61.300 0.035 0.000 1.409 39 I CB 0.649 38.678 38.000 0.049 0.000 1.367 39 I HN 0.140 nan 8.210 nan 0.000 0.597 40 D N 3.897 124.329 120.400 0.053 0.000 2.305 40 D HA 0.205 4.845 4.640 -0.000 0.000 0.206 40 D C 0.537 176.872 176.300 0.059 0.000 0.974 40 D CA 0.836 54.872 54.000 0.059 0.000 0.871 40 D CB 0.448 41.298 40.800 0.084 0.000 0.947 40 D HN 0.651 nan 8.370 nan 0.000 0.516 41 G N -0.453 108.385 108.800 0.062 0.000 2.495 41 G HA2 0.533 4.493 3.960 -0.000 0.000 0.294 41 G HA3 0.533 4.493 3.960 -0.000 0.000 0.294 41 G C -1.962 172.971 174.900 0.055 0.000 1.397 41 G CA -0.751 44.381 45.100 0.053 0.000 0.790 41 G HN 0.014 nan 8.290 nan 0.000 0.486 42 L N -0.092 121.163 121.223 0.053 0.000 2.381 42 L HA 0.509 4.849 4.340 -0.000 0.000 0.268 42 L C -1.494 175.444 176.870 0.115 0.000 0.997 42 L CA -0.978 53.901 54.840 0.066 0.000 0.818 42 L CB 2.694 44.779 42.059 0.043 0.000 1.310 42 L HN 0.632 nan 8.230 nan 0.000 0.416 43 Y N 2.993 123.260 120.300 -0.055 0.000 2.369 43 Y HA 0.564 5.114 4.550 -0.001 0.000 0.337 43 Y C -0.741 175.128 175.900 -0.052 0.000 0.961 43 Y CA -0.605 57.450 58.100 -0.075 0.000 1.186 43 Y CB 1.217 39.548 38.460 -0.214 0.000 1.139 43 Y HN 0.201 nan 8.280 nan 0.000 0.494 44 V N 5.248 125.039 119.914 -0.205 0.000 2.459 44 V HA 0.534 4.654 4.120 -0.000 0.000 0.295 44 V C 0.671 176.633 176.094 -0.220 0.000 1.029 44 V CA -0.336 61.891 62.300 -0.121 0.000 0.874 44 V CB 1.180 33.036 31.823 0.054 0.000 0.985 44 V HN 1.017 nan 8.190 nan 0.000 0.438 45 G N 3.445 112.149 108.800 -0.159 0.000 2.246 45 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.273 45 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.273 45 G C 0.510 175.360 174.900 -0.084 0.000 1.055 45 G CA 0.285 45.302 45.100 -0.137 0.000 0.851 45 G HN 1.320 nan 8.290 nan 0.000 0.500 46 G N -0.684 108.027 108.800 -0.149 0.000 2.531 46 G HA2 0.545 4.505 3.960 -0.000 0.000 0.253 46 G HA3 0.545 4.505 3.960 -0.000 0.000 0.253 46 G C 1.343 176.142 174.900 -0.169 0.000 1.439 46 G CA 0.857 45.845 45.100 -0.186 0.000 1.056 46 G HN 0.608 nan 8.290 nan 0.000 0.555 47 S N -0.701 115.014 115.700 0.025 0.000 2.359 47 S HA -0.148 4.322 4.470 -0.000 0.000 0.224 47 S C 2.557 177.082 174.600 -0.125 0.000 1.035 47 S CA 1.989 60.280 58.200 0.152 0.000 1.018 47 S CB -0.538 62.868 63.200 0.344 0.000 0.876 47 S HN 0.602 nan 8.310 nan 0.000 0.448 48 T N 1.389 115.771 114.554 -0.288 0.000 2.833 48 T HA -0.048 4.302 4.350 -0.000 0.000 0.269 48 T C 1.839 176.091 174.700 -0.746 0.000 1.054 48 T CA 1.264 62.874 62.100 -0.817 0.000 1.135 48 T CB -0.581 68.047 68.868 -0.399 0.000 0.869 48 T HN 0.552 nan 8.240 nan 0.000 0.466 49 G N 0.314 108.882 108.800 -0.386 0.000 2.848 49 G HA2 0.071 4.031 3.960 -0.000 0.000 0.208 49 G HA3 0.071 4.031 3.960 -0.000 0.000 0.208 49 G C 0.239 175.013 174.900 -0.209 0.000 1.152 49 G CA 0.021 44.950 45.100 -0.285 0.000 0.789 49 G HN 0.597 nan 8.290 nan 0.000 0.531 50 E N -1.744 118.336 120.200 -0.200 0.000 2.513 50 E HA -0.281 4.069 4.350 -0.000 0.000 0.257 50 E C 1.712 178.312 176.600 0.001 0.000 1.098 50 E CA 0.065 56.479 56.400 0.024 0.000 0.752 50 E CB -1.425 28.401 29.700 0.210 0.000 1.324 50 E HN 0.499 nan 8.360 nan 0.000 0.403 51 A N -0.146 122.532 122.820 -0.237 0.000 1.917 51 A HA -0.169 4.151 4.320 -0.000 0.000 0.219 51 A C 1.422 178.833 177.584 -0.289 0.000 1.182 51 A CA 1.692 53.503 52.037 -0.377 0.000 0.633 51 A CB -0.419 18.162 19.000 -0.699 0.000 0.819 51 A HN 0.320 nan 8.150 nan 0.000 0.448 52 F N -0.583 119.478 119.950 0.185 0.000 2.804 52 F HA 0.153 4.680 4.527 -0.000 0.000 0.303 52 F C 1.405 177.290 175.800 0.141 0.000 1.154 52 F CA 0.549 58.662 58.000 0.189 0.000 1.401 52 F CB -0.042 39.080 39.000 0.203 0.000 1.106 52 F HN 0.137 nan 8.300 nan 0.000 0.568 53 V N -3.131 116.911 119.914 0.214 0.000 3.070 53 V HA 0.365 4.485 4.120 -0.000 0.000 0.345 53 V C -0.048 176.096 176.094 0.083 0.000 1.403 53 V CA -0.303 62.080 62.300 0.137 0.000 1.155 53 V CB -0.711 31.191 31.823 0.131 0.000 1.140 53 V HN 0.137 nan 8.190 nan 0.000 0.505 54 Q N 1.176 121.033 119.800 0.094 0.000 2.399 54 Q HA 0.665 5.005 4.340 -0.000 0.000 0.276 54 Q C 0.018 176.055 176.000 0.063 0.000 1.098 54 Q CA -0.329 55.522 55.803 0.078 0.000 0.827 54 Q CB 2.517 31.313 28.738 0.096 0.000 1.386 54 Q HN 0.611 nan 8.270 nan 0.000 0.443 55 S N 0.345 116.075 115.700 0.049 0.000 2.624 55 S HA 0.248 4.718 4.470 -0.000 0.000 0.263 55 S C 1.123 175.741 174.600 0.030 0.000 1.287 55 S CA -0.574 57.649 58.200 0.039 0.000 0.990 55 S CB 0.405 63.622 63.200 0.030 0.000 0.950 55 S HN 0.665 nan 8.310 nan 0.000 0.561 56 L N 1.060 122.296 121.223 0.021 0.000 2.083 56 L HA -0.092 4.248 4.340 -0.000 0.000 0.209 56 L C 3.067 179.943 176.870 0.011 0.000 1.083 56 L CA 1.580 56.425 54.840 0.007 0.000 0.752 56 L CB -0.929 41.130 42.059 -0.001 0.000 0.899 56 L HN 0.918 nan 8.230 nan 0.000 0.433 57 S N -0.101 115.610 115.700 0.018 0.000 2.368 57 S HA -0.198 4.272 4.470 -0.000 0.000 0.224 57 S C 1.831 176.448 174.600 0.027 0.000 1.029 57 S CA 1.419 59.634 58.200 0.025 0.000 0.988 57 S CB -0.085 63.129 63.200 0.023 0.000 0.838 57 S HN 0.440 nan 8.310 nan 0.000 0.462 58 E N 0.557 120.775 120.200 0.031 0.000 2.058 58 E HA -0.160 4.190 4.350 -0.000 0.000 0.194 58 E C 2.499 179.111 176.600 0.021 0.000 0.997 58 E CA 1.265 57.689 56.400 0.039 0.000 0.801 58 E CB -0.162 29.579 29.700 0.069 0.000 0.746 58 E HN 0.479 nan 8.360 nan 0.000 0.450 59 R N 0.727 121.233 120.500 0.010 0.000 2.091 59 R HA -0.169 4.171 4.340 -0.000 0.000 0.238 59 R C 2.228 178.517 176.300 -0.017 0.000 1.136 59 R CA 1.464 57.552 56.100 -0.020 0.000 0.959 59 R CB -0.155 30.121 30.300 -0.040 0.000 0.856 59 R HN 0.254 nan 8.270 nan 0.000 0.437 60 E N 0.414 120.625 120.200 0.019 0.000 2.106 60 E HA -0.191 4.159 4.350 -0.000 0.000 0.192 60 E C 2.103 178.722 176.600 0.031 0.000 0.984 60 E CA 0.894 57.349 56.400 0.092 0.000 0.806 60 E CB 0.056 29.836 29.700 0.134 0.000 0.750 60 E HN 0.386 nan 8.360 nan 0.000 0.458 61 Q N 0.232 120.030 119.800 -0.003 0.000 2.135 61 Q HA -0.153 4.187 4.340 -0.000 0.000 0.204 61 Q C 2.306 178.255 176.000 -0.084 0.000 0.981 61 Q CA 1.311 57.084 55.803 -0.049 0.000 0.856 61 Q CB 0.042 28.769 28.738 -0.019 0.000 0.902 61 Q HN 0.158 nan 8.270 nan 0.000 0.425 62 V N 0.888 120.765 119.914 -0.061 0.000 2.323 62 V HA -0.233 3.886 4.120 -0.000 0.000 0.244 62 V C 2.155 178.220 176.094 -0.049 0.000 1.041 62 V CA 1.400 63.660 62.300 -0.066 0.000 1.025 62 V CB -0.492 31.289 31.823 -0.070 0.000 0.656 62 V HN 0.339 nan 8.190 nan 0.000 0.451 63 L N -0.065 121.134 121.223 -0.039 0.000 2.042 63 L HA -0.235 4.104 4.340 -0.000 0.000 0.210 63 L C 2.578 179.455 176.870 0.011 0.000 1.076 63 L CA 2.069 56.941 54.840 0.053 0.000 0.749 63 L CB -0.612 41.424 42.059 -0.038 0.000 0.893 63 L HN 0.432 nan 8.230 nan 0.000 0.432 64 E N 0.799 120.734 120.200 -0.441 0.000 2.051 64 E HA -0.231 4.118 4.350 -0.000 0.000 0.192 64 E C 2.321 178.747 176.600 -0.291 0.000 0.991 64 E CA 1.281 57.234 56.400 -0.746 0.000 0.799 64 E CB -0.038 29.131 29.700 -0.885 0.000 0.748 64 E HN 0.418 nan 8.360 nan 0.000 0.449 65 I N 0.337 120.798 120.570 -0.182 0.000 2.179 65 I HA -0.275 3.895 4.170 -0.000 0.000 0.242 65 I C 2.354 178.426 176.117 -0.074 0.000 1.088 65 I CA 0.775 62.010 61.300 -0.108 0.000 1.357 65 I CB -0.098 37.853 38.000 -0.083 0.000 1.051 65 I HN 0.067 nan 8.210 nan 0.000 0.409 66 V N 0.832 120.724 119.914 -0.036 0.000 2.407 66 V HA -0.302 3.818 4.120 -0.000 0.000 0.248 66 V C 2.655 178.695 176.094 -0.091 0.000 1.055 66 V CA 1.921 64.208 62.300 -0.023 0.000 1.049 66 V CB -1.094 30.762 31.823 0.055 0.000 0.662 66 V HN 0.506 nan 8.190 nan 0.000 0.455 67 A N -0.213 122.546 122.820 -0.102 0.000 1.877 67 A HA -0.256 4.064 4.320 -0.000 0.000 0.216 67 A C 2.163 179.677 177.584 -0.117 0.000 1.186 67 A CA 1.909 53.832 52.037 -0.190 0.000 0.620 67 A CB -0.518 18.434 19.000 -0.079 0.000 0.822 67 A HN 0.612 nan 8.150 nan 0.000 0.443 68 E N -0.401 119.746 120.200 -0.088 0.000 2.097 68 E HA -0.211 4.139 4.350 -0.000 0.000 0.196 68 E C 1.960 178.525 176.600 -0.059 0.000 1.000 68 E CA 1.350 57.711 56.400 -0.065 0.000 0.804 68 E CB -0.112 29.550 29.700 -0.063 0.000 0.740 68 E HN 0.554 nan 8.360 nan 0.000 0.454 69 E N -0.593 119.570 120.200 -0.062 0.000 2.158 69 E HA -0.054 4.296 4.350 -0.000 0.000 0.191 69 E C 1.375 177.944 176.600 -0.052 0.000 0.982 69 E CA 1.031 57.402 56.400 -0.048 0.000 0.823 69 E CB 0.341 30.018 29.700 -0.039 0.000 0.766 69 E HN 0.245 nan 8.360 nan 0.000 0.468 70 A N 0.379 123.152 122.820 -0.079 0.000 2.474 70 A HA 0.096 4.415 4.320 -0.000 0.000 0.221 70 A C 0.923 178.443 177.584 -0.107 0.000 1.298 70 A CA -0.347 51.640 52.037 -0.083 0.000 1.008 70 A CB 0.267 19.218 19.000 -0.083 0.000 1.217 70 A HN -0.022 nan 8.150 nan 0.000 0.553 71 K N 0.518 120.837 120.400 -0.134 0.000 2.511 71 K HA 0.270 4.589 4.320 -0.000 0.000 0.280 71 K C 1.256 177.807 176.600 -0.081 0.000 1.008 71 K CA 1.207 57.411 56.287 -0.138 0.000 1.050 71 K CB -0.082 32.341 32.500 -0.128 0.000 0.889 71 K HN 0.938 nan 8.250 nan 0.000 0.484 72 G N 3.568 112.326 108.800 -0.069 0.000 2.234 72 G HA2 -0.328 3.631 3.960 -0.000 0.000 0.260 72 G HA3 -0.328 3.631 3.960 -0.000 0.000 0.260 72 G C 0.772 175.653 174.900 -0.033 0.000 0.987 72 G CA 0.771 45.846 45.100 -0.041 0.000 0.625 72 G HN 0.718 nan 8.290 nan 0.000 0.532 73 K N -0.241 120.135 120.400 -0.040 0.000 2.214 73 K HA 0.473 4.793 4.320 -0.000 0.000 0.201 73 K C 1.371 177.958 176.600 -0.022 0.000 1.049 73 K CA 1.196 57.467 56.287 -0.028 0.000 0.978 73 K CB 0.372 32.854 32.500 -0.030 0.000 0.842 73 K HN 0.734 nan 8.250 nan 0.000 0.474 74 I N -2.397 118.154 120.570 -0.031 0.000 3.279 74 I HA 0.429 4.599 4.170 -0.000 0.000 0.315 74 I C -1.237 174.865 176.117 -0.025 0.000 1.187 74 I CA -1.430 59.860 61.300 -0.016 0.000 0.953 74 I CB 1.609 39.604 38.000 -0.008 0.000 1.279 74 I HN -0.336 nan 8.210 nan 0.000 0.465 75 K N 2.471 122.873 120.400 0.004 0.000 2.237 75 K HA 0.584 4.904 4.320 -0.000 0.000 0.270 75 K C -0.962 175.634 176.600 -0.006 0.000 1.015 75 K CA -0.275 56.019 56.287 0.012 0.000 0.949 75 K CB 1.251 33.789 32.500 0.063 0.000 0.976 75 K HN 0.549 nan 8.250 nan 0.000 0.472 76 L N 4.117 125.321 121.223 -0.031 0.000 2.376 76 L HA 0.496 4.835 4.340 -0.000 0.000 0.275 76 L C -0.379 176.611 176.870 0.199 0.000 0.987 76 L CA -0.586 54.217 54.840 -0.061 0.000 0.828 76 L CB 1.273 43.007 42.059 -0.542 0.000 1.249 76 L HN 0.409 nan 8.230 nan 0.000 0.409 77 I N 2.831 123.574 120.570 0.288 0.000 2.406 77 I HA 0.535 4.705 4.170 -0.000 0.000 0.290 77 I C 0.155 176.358 176.117 0.144 0.000 0.999 77 I CA -0.484 60.974 61.300 0.263 0.000 1.124 77 I CB 2.090 40.217 38.000 0.211 0.000 1.289 77 I HN 0.609 nan 8.210 nan 0.000 0.441 78 A N 4.650 127.443 122.820 -0.046 0.000 2.249 78 A HA 0.365 4.684 4.320 -0.000 0.000 0.314 78 A C -0.614 176.743 177.584 -0.377 0.000 1.290 78 A CA -0.367 51.400 52.037 -0.450 0.000 0.893 78 A CB -0.062 18.375 19.000 -0.939 0.000 1.165 78 A HN 0.777 nan 8.150 nan 0.000 0.530 79 H N 2.606 121.349 119.070 -0.546 0.000 2.944 79 H HA 0.335 4.891 4.556 -0.001 0.000 0.278 79 H C 0.663 175.864 175.328 -0.211 0.000 1.083 79 H CA 0.496 56.309 56.048 -0.392 0.000 1.479 79 H CB 0.986 30.478 29.762 -0.450 0.000 1.486 79 H HN 0.489 nan 8.280 nan 0.000 0.493 80 V N 2.377 121.894 119.914 -0.660 0.000 3.578 80 V HA 0.470 4.590 4.120 -0.000 0.000 0.290 80 V C 1.095 176.935 176.094 -0.423 0.000 1.376 80 V CA 0.150 62.175 62.300 -0.457 0.000 1.083 80 V CB -0.148 31.506 31.823 -0.283 0.000 0.911 80 V HN 0.768 nan 8.190 nan 0.000 0.433 81 G N -0.027 108.366 108.800 -0.679 0.000 2.365 81 G HA2 0.423 4.382 3.960 -0.000 0.000 0.249 81 G HA3 0.423 4.382 3.960 -0.000 0.000 0.249 81 G C -0.296 174.727 174.900 0.205 0.000 1.288 81 G CA 0.370 45.418 45.100 -0.086 0.000 0.887 81 G HN 0.537 nan 8.290 nan 0.000 0.524 82 C N 0.970 120.388 119.300 0.197 0.000 3.108 82 C HA 0.401 4.861 4.460 -0.000 0.000 0.321 82 C C 1.783 176.808 174.990 0.059 0.000 1.357 82 C CA -0.567 58.583 59.018 0.219 0.000 1.562 82 C CB 1.480 29.287 27.740 0.112 0.000 2.003 82 C HN 0.544 nan 8.230 nan 0.000 0.460 83 V N 1.158 120.979 119.914 -0.154 0.000 2.307 83 V HA -0.097 4.023 4.120 -0.000 0.000 0.245 83 V C 1.397 177.432 176.094 -0.098 0.000 1.045 83 V CA 2.081 64.207 62.300 -0.290 0.000 1.024 83 V CB -0.455 31.141 31.823 -0.379 0.000 0.651 83 V HN 0.892 nan 8.190 nan 0.000 0.449 84 S N -0.117 115.570 115.700 -0.022 0.000 2.510 84 S HA 0.012 4.482 4.470 -0.000 0.000 0.279 84 S C 1.399 176.016 174.600 0.029 0.000 1.284 84 S CA 0.226 58.423 58.200 -0.004 0.000 1.059 84 S CB 1.094 64.291 63.200 -0.004 0.000 0.901 84 S HN 0.519 nan 8.310 nan 0.000 0.491 85 T N 5.528 120.089 114.554 0.013 0.000 2.684 85 T HA -0.114 4.236 4.350 -0.000 0.000 0.267 85 T C 2.132 176.749 174.700 -0.139 0.000 1.036 85 T CA 1.622 63.656 62.100 -0.111 0.000 1.148 85 T CB -0.653 68.141 68.868 -0.123 0.000 0.863 85 T HN 0.812 nan 8.240 nan 0.000 0.436 86 A N 1.635 124.401 122.820 -0.090 0.000 1.902 86 A HA -0.139 4.180 4.320 -0.000 0.000 0.217 86 A C 2.241 179.780 177.584 -0.074 0.000 1.181 86 A CA 1.561 53.549 52.037 -0.081 0.000 0.623 86 A CB -0.537 18.428 19.000 -0.059 0.000 0.818 86 A HN 0.573 nan 8.150 nan 0.000 0.443 87 E N -0.015 120.153 120.200 -0.054 0.000 2.110 87 E HA -0.113 4.237 4.350 -0.000 0.000 0.193 87 E C 2.228 178.787 176.600 -0.067 0.000 0.988 87 E CA 1.321 57.694 56.400 -0.044 0.000 0.804 87 E CB -0.156 29.535 29.700 -0.014 0.000 0.745 87 E HN 0.600 nan 8.360 nan 0.000 0.458 88 S N 1.042 116.690 115.700 -0.087 0.000 2.402 88 S HA -0.148 4.321 4.470 -0.000 0.000 0.229 88 S C 1.882 176.387 174.600 -0.159 0.000 1.021 88 S CA 0.821 58.943 58.200 -0.130 0.000 0.974 88 S CB -0.079 63.017 63.200 -0.172 0.000 0.800 88 S HN 0.260 nan 8.310 nan 0.000 0.484 89 Q N 0.896 120.603 119.800 -0.155 0.000 2.123 89 Q HA -0.115 4.224 4.340 -0.000 0.000 0.199 89 Q C 2.407 178.335 176.000 -0.120 0.000 0.966 89 Q CA 1.043 56.761 55.803 -0.141 0.000 0.845 89 Q CB -0.169 28.492 28.738 -0.129 0.000 0.907 89 Q HN 0.608 nan 8.270 nan 0.000 0.439 90 Q N 0.828 120.566 119.800 -0.104 0.000 2.084 90 Q HA -0.185 4.155 4.340 -0.000 0.000 0.202 90 Q C 1.982 177.914 176.000 -0.115 0.000 0.978 90 Q CA 1.114 56.860 55.803 -0.095 0.000 0.844 90 Q CB -0.033 28.663 28.738 -0.071 0.000 0.898 90 Q HN 0.397 nan 8.270 nan 0.000 0.426 91 L N 0.197 121.347 121.223 -0.121 0.000 2.093 91 L HA -0.112 4.228 4.340 -0.000 0.000 0.208 91 L C 2.600 179.360 176.870 -0.183 0.000 1.085 91 L CA 0.848 55.600 54.840 -0.147 0.000 0.755 91 L CB -0.563 41.403 42.059 -0.154 0.000 0.904 91 L HN 0.293 nan 8.230 nan 0.000 0.435 92 A N 0.119 122.838 122.820 -0.168 0.000 1.930 92 A HA -0.119 4.201 4.320 -0.000 0.000 0.217 92 A C 2.547 180.041 177.584 -0.150 0.000 1.175 92 A CA 1.550 53.492 52.037 -0.157 0.000 0.627 92 A CB -0.585 18.336 19.000 -0.132 0.000 0.815 92 A HN 0.378 nan 8.150 nan 0.000 0.443 93 A N -0.478 122.254 122.820 -0.147 0.000 1.902 93 A HA -0.069 4.251 4.320 -0.000 0.000 0.217 93 A C 2.442 179.889 177.584 -0.227 0.000 1.181 93 A CA 2.082 54.029 52.037 -0.151 0.000 0.623 93 A CB -0.802 18.123 19.000 -0.126 0.000 0.818 93 A HN 0.447 nan 8.150 nan 0.000 0.443 94 S N -0.125 115.406 115.700 -0.281 0.000 2.355 94 S HA -0.005 4.465 4.470 -0.000 0.000 0.222 94 S C 2.345 176.557 174.600 -0.647 0.000 1.031 94 S CA 1.097 58.992 58.200 -0.510 0.000 0.993 94 S CB -0.508 62.485 63.200 -0.345 0.000 0.859 94 S HN 0.803 nan 8.310 nan 0.000 0.453 95 A N 1.975 124.587 122.820 -0.348 0.000 1.908 95 A HA -0.214 4.106 4.320 -0.000 0.000 0.218 95 A C 2.001 179.566 177.584 -0.031 0.000 1.181 95 A CA 2.220 54.114 52.037 -0.238 0.000 0.627 95 A CB -0.603 18.182 19.000 -0.359 0.000 0.818 95 A HN 0.405 nan 8.150 nan 0.000 0.445 96 K N 0.045 120.392 120.400 -0.089 0.000 2.026 96 K HA -0.096 4.224 4.320 -0.000 0.000 0.208 96 K C 2.092 178.669 176.600 -0.039 0.000 1.048 96 K CA 1.780 58.050 56.287 -0.028 0.000 0.929 96 K CB -0.374 32.092 32.500 -0.056 0.000 0.713 96 K HN 0.442 nan 8.250 nan 0.000 0.439 97 R N -0.998 119.404 120.500 -0.164 0.000 2.105 97 R HA -0.133 4.206 4.340 -0.000 0.000 0.239 97 R C 1.625 177.910 176.300 -0.024 0.000 1.135 97 R CA 1.598 57.601 56.100 -0.162 0.000 0.967 97 R CB -0.315 29.791 30.300 -0.323 0.000 0.861 97 R HN 0.303 nan 8.270 nan 0.000 0.442 98 Y N -0.648 119.717 120.300 0.109 0.000 2.529 98 Y HA 0.219 4.768 4.550 -0.001 0.000 0.290 98 Y C 1.473 177.462 175.900 0.149 0.000 1.177 98 Y CA 0.255 58.448 58.100 0.155 0.000 1.305 98 Y CB -0.090 38.526 38.460 0.260 0.000 1.047 98 Y HN 0.242 nan 8.280 nan 0.000 0.522 99 G N -0.351 108.597 108.800 0.248 0.000 2.171 99 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.238 99 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.238 99 G C -0.111 174.846 174.900 0.095 0.000 1.039 99 G CA -0.496 44.684 45.100 0.133 0.000 0.759 99 G HN 0.149 nan 8.290 nan 0.000 0.501 100 F N 0.586 120.567 119.950 0.052 0.000 2.496 100 F HA 0.276 4.803 4.527 -0.000 0.000 0.344 100 F C 1.693 177.511 175.800 0.029 0.000 1.155 100 F CA 0.282 58.305 58.000 0.038 0.000 1.302 100 F CB 0.584 39.602 39.000 0.030 0.000 1.159 100 F HN 0.080 nan 8.300 nan 0.000 0.595 101 D N 0.952 121.438 120.400 0.143 0.000 2.249 101 D HA 0.199 4.839 4.640 -0.000 0.000 0.205 101 D C 0.284 176.669 176.300 0.142 0.000 0.962 101 D CA 0.846 54.912 54.000 0.110 0.000 0.860 101 D CB 0.315 41.158 40.800 0.071 0.000 0.955 101 D HN 0.397 nan 8.370 nan 0.000 0.505 102 A N 0.182 123.121 122.820 0.197 0.000 2.608 102 A HA 0.518 4.837 4.320 -0.000 0.000 0.292 102 A C -0.828 176.839 177.584 0.139 0.000 1.066 102 A CA -0.736 51.398 52.037 0.161 0.000 0.676 102 A CB 1.319 20.422 19.000 0.172 0.000 1.277 102 A HN -0.052 nan 8.150 nan 0.000 0.413 103 V N -1.418 118.551 119.914 0.091 0.000 2.994 103 V HA 0.997 5.116 4.120 -0.000 0.000 0.318 103 V C -0.000 176.159 176.094 0.108 0.000 1.085 103 V CA -0.275 62.045 62.300 0.033 0.000 0.998 103 V CB 1.565 33.380 31.823 -0.013 0.000 1.063 103 V HN 1.701 nan 8.190 nan 0.000 0.447 104 S N 0.672 116.429 115.700 0.095 0.000 2.537 104 S HA 0.873 5.343 4.470 -0.000 0.000 0.270 104 S C -0.889 173.878 174.600 0.278 0.000 1.142 104 S CA 0.116 58.485 58.200 0.281 0.000 0.870 104 S CB 1.582 65.027 63.200 0.408 0.000 1.112 104 S HN 2.217 nan 8.310 nan 0.000 0.466 105 A N 2.617 125.727 122.820 0.483 0.000 2.459 105 A HA 0.712 5.032 4.320 -0.000 0.000 0.296 105 A C -0.521 177.467 177.584 0.674 0.000 1.039 105 A CA -0.555 51.742 52.037 0.432 0.000 0.698 105 A CB 1.409 20.481 19.000 0.120 0.000 1.261 105 A HN 1.251 nan 8.150 nan 0.000 0.405 106 V N 2.730 123.117 119.914 0.788 0.000 2.811 106 V HA 0.479 4.598 4.120 -0.000 0.000 0.302 106 V C 0.993 177.282 176.094 0.326 0.000 1.063 106 V CA 0.642 63.174 62.300 0.385 0.000 1.088 106 V CB 1.226 33.167 31.823 0.197 0.000 0.982 106 V HN 1.382 nan 8.190 nan 0.000 0.485 107 T N 6.529 121.239 114.554 0.260 0.000 2.871 107 T HA 0.184 4.534 4.350 -0.000 0.000 0.296 107 T C -2.334 172.519 174.700 0.255 0.000 0.998 107 T CA -0.874 61.378 62.100 0.253 0.000 1.162 107 T CB 0.433 69.382 68.868 0.135 0.000 0.947 107 T HN 0.730 nan 8.240 nan 0.000 0.536 108 P HA 0.214 nan 4.420 nan 0.000 0.268 108 P C -0.470 176.999 177.300 0.280 0.000 1.205 108 P CA -0.287 62.806 63.100 -0.012 0.000 0.771 108 P CB 0.230 31.618 31.700 -0.520 0.000 0.858 109 F N 0.841 120.901 119.950 0.184 0.000 2.712 109 F HA 0.539 5.065 4.527 -0.001 0.000 0.367 109 F C 1.484 177.351 175.800 0.112 0.000 1.132 109 F CA -1.331 56.732 58.000 0.106 0.000 1.066 109 F CB -0.120 38.859 39.000 -0.034 0.000 1.416 109 F HN 0.434 nan 8.300 nan 0.000 0.515 110 Y N -1.067 119.308 120.300 0.125 0.000 2.739 110 Y HA -0.388 4.162 4.550 -0.000 0.000 0.479 110 Y C -0.495 175.231 175.900 -0.291 0.000 1.139 110 Y CA 1.667 59.681 58.100 -0.144 0.000 2.846 110 Y CB -1.637 36.624 38.460 -0.332 0.000 1.043 110 Y HN 0.545 nan 8.280 nan 0.000 0.581 111 Y N 4.539 124.759 120.300 -0.132 0.000 2.335 111 Y HA 0.363 4.913 4.550 -0.001 0.000 0.331 111 Y C -1.949 173.493 175.900 -0.762 0.000 1.094 111 Y CA -2.316 55.487 58.100 -0.496 0.000 1.253 111 Y CB -0.023 38.038 38.460 -0.665 0.000 1.203 111 Y HN 0.013 nan 8.280 nan 0.000 0.508 112 P HA 0.109 nan 4.420 nan 0.000 0.276 112 P C -1.102 175.964 177.300 -0.390 0.000 1.264 112 P CA 0.200 63.140 63.100 -0.268 0.000 0.769 112 P CB 0.114 31.739 31.700 -0.125 0.000 0.840 113 F N 0.832 120.794 119.950 0.020 0.000 2.470 113 F HA 0.336 4.863 4.527 0.000 0.000 0.329 113 F C 1.544 177.335 175.800 -0.015 0.000 1.072 113 F CA -0.578 57.352 58.000 -0.116 0.000 0.989 113 F CB 1.175 39.914 39.000 -0.435 0.000 1.193 113 F HN 0.235 nan 8.300 nan 0.000 0.481 114 S N 1.725 117.543 115.700 0.195 0.000 2.600 114 S HA 0.106 4.576 4.470 -0.000 0.000 0.265 114 S C 0.846 175.641 174.600 0.326 0.000 1.325 114 S CA -0.443 57.889 58.200 0.221 0.000 1.002 114 S CB 0.319 63.610 63.200 0.152 0.000 0.921 114 S HN 0.615 nan 8.310 nan 0.000 0.554 115 F N 0.999 121.093 119.950 0.240 0.000 2.134 115 F HA -0.015 4.512 4.527 -0.001 0.000 0.299 115 F C 2.420 178.355 175.800 0.224 0.000 1.097 115 F CA 2.031 60.202 58.000 0.285 0.000 1.264 115 F CB -0.470 38.629 39.000 0.165 0.000 1.001 115 F HN 0.918 nan 8.300 nan 0.000 0.479 116 E N 0.223 120.464 120.200 0.068 0.000 2.077 116 E HA -0.247 4.103 4.350 -0.000 0.000 0.193 116 E C 2.077 178.624 176.600 -0.088 0.000 0.989 116 E CA 1.543 57.904 56.400 -0.066 0.000 0.800 116 E CB -0.179 29.546 29.700 0.041 0.000 0.746 116 E HN 0.596 nan 8.360 nan 0.000 0.452 117 E N -0.706 119.467 120.200 -0.045 0.000 2.118 117 E HA -0.218 4.131 4.350 -0.000 0.000 0.195 117 E C 1.952 178.435 176.600 -0.194 0.000 0.992 117 E CA 1.375 57.704 56.400 -0.119 0.000 0.804 117 E CB -0.162 29.476 29.700 -0.103 0.000 0.741 117 E HN 0.461 nan 8.360 nan 0.000 0.458 118 H N -0.794 118.224 119.070 -0.086 0.000 2.353 118 H HA -0.103 4.453 4.556 -0.001 0.000 0.300 118 H C 2.245 177.590 175.328 0.027 0.000 1.090 118 H CA 1.427 57.447 56.048 -0.046 0.000 1.327 118 H CB -0.081 29.703 29.762 0.035 0.000 1.383 118 H HN 0.191 nan 8.280 nan 0.000 0.508 119 C N 0.512 119.765 119.300 -0.077 0.000 2.446 119 C HA -0.121 4.339 4.460 -0.000 0.000 0.277 119 C C 2.257 177.269 174.990 0.037 0.000 1.275 119 C CA 0.880 59.855 59.018 -0.071 0.000 1.727 119 C CB -0.367 27.208 27.740 -0.274 0.000 2.010 119 C HN 0.637 nan 8.230 nan 0.000 0.486 120 D N -0.516 119.877 120.400 -0.012 0.000 2.117 120 D HA -0.142 4.497 4.640 -0.000 0.000 0.197 120 D C 1.702 177.996 176.300 -0.010 0.000 0.987 120 D CA 1.544 55.535 54.000 -0.015 0.000 0.829 120 D CB -0.724 40.051 40.800 -0.043 0.000 0.961 120 D HN 0.645 nan 8.370 nan 0.000 0.460 121 H N -0.276 118.715 119.070 -0.132 0.000 2.289 121 H HA -0.222 4.334 4.556 -0.000 0.000 0.294 121 H C 1.845 177.074 175.328 -0.164 0.000 1.095 121 H CA 1.953 57.876 56.048 -0.208 0.000 1.256 121 H CB -0.377 29.192 29.762 -0.323 0.000 1.359 121 H HN 0.167 nan 8.280 nan 0.000 0.487 122 Y N 0.257 120.573 120.300 0.025 0.000 2.181 122 Y HA -0.128 4.422 4.550 -0.001 0.000 0.288 122 Y C 2.859 178.721 175.900 -0.062 0.000 1.146 122 Y CA 1.504 59.596 58.100 -0.014 0.000 1.164 122 Y CB -0.197 38.294 38.460 0.051 0.000 0.982 122 Y HN 0.138 nan 8.280 nan 0.000 0.515 123 R N -0.275 120.276 120.500 0.086 0.000 2.083 123 R HA -0.207 4.132 4.340 -0.000 0.000 0.237 123 R C 2.513 178.795 176.300 -0.029 0.000 1.137 123 R CA 1.373 57.487 56.100 0.023 0.000 0.951 123 R CB -0.703 29.601 30.300 0.007 0.000 0.851 123 R HN 0.336 nan 8.270 nan 0.000 0.434 124 A N 0.907 123.680 122.820 -0.079 0.000 1.933 124 A HA -0.134 4.186 4.320 -0.000 0.000 0.218 124 A C 2.135 179.638 177.584 -0.135 0.000 1.175 124 A CA 1.241 53.210 52.037 -0.113 0.000 0.628 124 A CB -0.423 18.487 19.000 -0.149 0.000 0.814 124 A HN 0.200 nan 8.150 nan 0.000 0.444 125 I N -0.535 119.927 120.570 -0.179 0.000 2.286 125 I HA -0.212 3.958 4.170 -0.000 0.000 0.245 125 I C 2.236 178.307 176.117 -0.076 0.000 1.104 125 I CA 1.084 62.284 61.300 -0.166 0.000 1.397 125 I CB -0.283 37.581 38.000 -0.228 0.000 1.072 125 I HN 0.272 nan 8.210 nan 0.000 0.417 126 I N 0.770 121.325 120.570 -0.025 0.000 2.208 126 I HA -0.344 3.826 4.170 -0.000 0.000 0.245 126 I C 2.225 178.332 176.117 -0.016 0.000 1.097 126 I CA 1.680 62.983 61.300 0.004 0.000 1.363 126 I CB -0.409 37.610 38.000 0.033 0.000 1.051 126 I HN 0.281 nan 8.210 nan 0.000 0.413 127 D N 0.453 120.835 120.400 -0.030 0.000 2.092 127 D HA -0.175 4.465 4.640 -0.000 0.000 0.193 127 D C 2.254 178.528 176.300 -0.043 0.000 0.994 127 D CA 1.646 55.626 54.000 -0.034 0.000 0.828 127 D CB 0.044 40.820 40.800 -0.039 0.000 0.963 127 D HN 0.095 nan 8.370 nan 0.000 0.450 128 S N -0.595 115.068 115.700 -0.062 0.000 2.419 128 S HA -0.110 4.360 4.470 -0.000 0.000 0.233 128 S C 1.953 176.513 174.600 -0.066 0.000 1.016 128 S CA 0.931 59.088 58.200 -0.071 0.000 0.974 128 S CB -0.319 62.825 63.200 -0.094 0.000 0.786 128 S HN 0.460 nan 8.310 nan 0.000 0.492 129 A N 0.928 123.715 122.820 -0.054 0.000 2.066 129 A HA 0.040 4.359 4.320 -0.000 0.000 0.218 129 A C 0.905 178.475 177.584 -0.024 0.000 1.157 129 A CA 0.941 52.954 52.037 -0.040 0.000 0.670 129 A CB -0.451 18.536 19.000 -0.021 0.000 0.804 129 A HN 0.408 nan 8.150 nan 0.000 0.453 130 D N -2.772 117.614 120.400 -0.022 0.000 2.697 130 D HA -0.094 4.545 4.640 -0.000 0.000 0.235 130 D C 0.921 177.219 176.300 -0.003 0.000 1.167 130 D CA 1.943 55.934 54.000 -0.015 0.000 0.656 130 D CB -1.387 39.399 40.800 -0.023 0.000 1.025 130 D HN 1.242 nan 8.370 nan 0.000 0.419 131 G N -1.288 107.515 108.800 0.005 0.000 2.278 131 G HA2 -0.236 3.723 3.960 -0.000 0.000 0.210 131 G HA3 -0.236 3.723 3.960 -0.000 0.000 0.210 131 G C 0.077 174.992 174.900 0.026 0.000 1.000 131 G CA -0.122 44.986 45.100 0.014 0.000 0.635 131 G HN 0.456 nan 8.290 nan 0.000 0.495 132 L N 3.987 125.228 121.223 0.029 0.000 2.477 132 L HA 0.400 4.739 4.340 -0.000 0.000 0.272 132 L C -1.326 175.575 176.870 0.053 0.000 1.157 132 L CA -1.468 53.401 54.840 0.048 0.000 0.889 132 L CB 0.158 42.249 42.059 0.054 0.000 1.158 132 L HN 0.059 nan 8.230 nan 0.000 0.473 133 P HA 0.074 nan 4.420 nan 0.000 0.269 133 P C -0.583 176.772 177.300 0.092 0.000 1.215 133 P CA -0.502 62.640 63.100 0.069 0.000 0.780 133 P CB 0.549 32.291 31.700 0.072 0.000 0.898 134 M N 3.029 122.686 119.600 0.094 0.000 2.264 134 M HA 0.294 4.774 4.480 -0.000 0.000 0.352 134 M C -1.359 175.034 176.300 0.155 0.000 1.173 134 M CA -0.511 54.869 55.300 0.133 0.000 1.075 134 M CB 0.946 33.631 32.600 0.141 0.000 1.621 134 M HN -0.005 nan 8.290 nan 0.000 0.457 135 V N 6.235 126.283 119.914 0.223 0.000 2.311 135 V HA 0.338 4.458 4.120 -0.000 0.000 0.275 135 V C -0.373 175.900 176.094 0.299 0.000 1.022 135 V CA -0.933 61.525 62.300 0.263 0.000 0.830 135 V CB 0.913 32.946 31.823 0.350 0.000 1.012 135 V HN 0.709 nan 8.190 nan 0.000 0.452 136 V N 5.878 125.903 119.914 0.186 0.000 2.529 136 V HA 0.056 4.176 4.120 -0.000 0.000 0.292 136 V C -0.234 176.059 176.094 0.331 0.000 1.028 136 V CA -0.027 62.369 62.300 0.161 0.000 1.074 136 V CB 0.435 32.173 31.823 -0.141 0.000 0.958 136 V HN 0.723 nan 8.190 nan 0.000 0.481 137 Y N 6.616 127.101 120.300 0.307 0.000 2.369 137 Y HA 0.381 4.931 4.550 -0.000 0.000 0.337 137 Y C 0.044 176.064 175.900 0.200 0.000 0.961 137 Y CA -1.736 56.512 58.100 0.247 0.000 1.186 137 Y CB 0.883 39.544 38.460 0.334 0.000 1.139 137 Y HN 0.731 nan 8.280 nan 0.000 0.494 138 N N 7.440 126.353 118.700 0.355 0.000 2.443 138 N HA 0.385 5.124 4.740 -0.000 0.000 0.269 138 N C -1.527 174.016 175.510 0.054 0.000 0.985 138 N CA -0.278 52.845 53.050 0.122 0.000 0.921 138 N CB 0.862 39.417 38.487 0.114 0.000 1.195 138 N HN 0.841 nan 8.380 nan 0.000 0.492 139 I N 6.074 126.596 120.570 -0.080 0.000 2.854 139 I HA 0.321 4.491 4.170 -0.000 0.000 0.280 139 I C -2.042 174.050 176.117 -0.042 0.000 1.482 139 I CA -2.029 59.226 61.300 -0.076 0.000 0.884 139 I CB 1.340 39.236 38.000 -0.174 0.000 1.600 139 I HN 0.410 nan 8.210 nan 0.000 0.585 140 P HA -0.264 nan 4.420 nan 0.000 0.217 140 P C 1.585 178.899 177.300 0.023 0.000 1.158 140 P CA 2.164 65.278 63.100 0.024 0.000 0.887 140 P CB 0.127 31.856 31.700 0.049 0.000 0.792 141 A N -1.039 121.818 122.820 0.062 0.000 1.940 141 A HA -0.168 4.152 4.320 -0.000 0.000 0.219 141 A C 2.291 179.885 177.584 0.016 0.000 1.176 141 A CA 1.691 53.767 52.037 0.065 0.000 0.631 141 A CB -1.373 17.716 19.000 0.148 0.000 0.814 141 A HN 0.172 nan 8.150 nan 0.000 0.446 142 L N -0.849 120.362 121.223 -0.019 0.000 2.316 142 L HA -0.015 4.325 4.340 -0.000 0.000 0.207 142 L C 2.834 179.610 176.870 -0.156 0.000 1.070 142 L CA 1.101 55.889 54.840 -0.086 0.000 0.820 142 L CB -0.390 41.610 42.059 -0.097 0.000 0.992 142 L HN 0.538 nan 8.230 nan 0.000 0.466 143 S N -0.015 115.599 115.700 -0.143 0.000 2.428 143 S HA -0.020 4.449 4.470 -0.000 0.000 0.230 143 S C 1.717 176.314 174.600 -0.005 0.000 1.014 143 S CA 0.801 58.937 58.200 -0.107 0.000 0.957 143 S CB -0.112 63.055 63.200 -0.054 0.000 0.784 143 S HN 0.537 nan 8.310 nan 0.000 0.499 144 G N 0.195 108.987 108.800 -0.013 0.000 2.155 144 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.257 144 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.257 144 G C 0.031 174.949 174.900 0.029 0.000 0.983 144 G CA 0.237 45.338 45.100 0.002 0.000 0.676 144 G HN 0.826 nan 8.290 nan 0.000 0.528 145 V N 1.237 121.176 119.914 0.042 0.000 2.348 145 V HA 0.359 4.478 4.120 -0.000 0.000 0.270 145 V C 0.500 176.609 176.094 0.024 0.000 1.037 145 V CA -0.339 61.991 62.300 0.051 0.000 0.872 145 V CB 1.393 33.243 31.823 0.045 0.000 1.002 145 V HN 0.278 nan 8.190 nan 0.000 0.464 146 K N 6.418 126.835 120.400 0.028 0.000 2.290 146 K HA 0.462 4.782 4.320 -0.000 0.000 0.250 146 K C -0.614 175.990 176.600 0.007 0.000 1.092 146 K CA -0.316 55.981 56.287 0.018 0.000 1.006 146 K CB 0.789 33.299 32.500 0.017 0.000 1.549 146 K HN 0.547 nan 8.250 nan 0.000 0.436 147 L N 2.026 123.248 121.223 -0.002 0.000 2.426 147 L HA 0.100 4.440 4.340 -0.000 0.000 0.271 147 L C 1.328 178.164 176.870 -0.055 0.000 1.169 147 L CA -0.192 54.629 54.840 -0.032 0.000 0.836 147 L CB 0.397 42.452 42.059 -0.008 0.000 1.112 147 L HN 0.558 nan 8.230 nan 0.000 0.465 148 T N -0.776 113.712 114.554 -0.110 0.000 2.788 148 T HA 0.150 4.500 4.350 -0.000 0.000 0.280 148 T C 0.895 175.535 174.700 -0.100 0.000 0.984 148 T CA -0.748 61.292 62.100 -0.100 0.000 0.972 148 T CB 1.060 69.853 68.868 -0.124 0.000 1.039 148 T HN 0.471 nan 8.240 nan 0.000 0.530 149 L N 0.627 121.801 121.223 -0.082 0.000 2.017 149 L HA 0.033 4.373 4.340 -0.000 0.000 0.208 149 L C 2.187 179.016 176.870 -0.068 0.000 1.073 149 L CA 2.311 57.108 54.840 -0.073 0.000 0.745 149 L CB -1.446 40.559 42.059 -0.089 0.000 0.894 149 L HN 0.974 nan 8.230 nan 0.000 0.432 150 D N -1.272 119.074 120.400 -0.089 0.000 2.116 150 D HA -0.273 4.366 4.640 -0.000 0.000 0.193 150 D C 2.112 178.333 176.300 -0.132 0.000 0.998 150 D CA 1.744 55.691 54.000 -0.088 0.000 0.836 150 D CB -0.031 40.711 40.800 -0.097 0.000 0.951 150 D HN 0.569 nan 8.370 nan 0.000 0.449 151 Q N -0.296 119.326 119.800 -0.297 0.000 2.050 151 Q HA -0.122 4.218 4.340 -0.000 0.000 0.202 151 Q C 2.518 178.472 176.000 -0.077 0.000 0.980 151 Q CA 1.125 56.578 55.803 -0.584 0.000 0.840 151 Q CB -0.086 28.005 28.738 -1.079 0.000 0.898 151 Q HN 0.469 nan 8.270 nan 0.000 0.424 152 I N 1.257 121.804 120.570 -0.039 0.000 2.163 152 I HA -0.326 3.844 4.170 -0.000 0.000 0.243 152 I C 1.784 177.938 176.117 0.062 0.000 1.085 152 I CA 0.942 62.263 61.300 0.035 0.000 1.347 152 I CB -0.436 37.573 38.000 0.014 0.000 1.044 152 I HN 0.275 nan 8.210 nan 0.000 0.408 153 N N 0.430 119.182 118.700 0.086 0.000 2.104 153 N HA -0.151 4.589 4.740 -0.000 0.000 0.190 153 N C 1.829 177.417 175.510 0.130 0.000 1.024 153 N CA 1.846 55.001 53.050 0.175 0.000 0.853 153 N CB -0.697 37.885 38.487 0.158 0.000 1.008 153 N HN 0.330 nan 8.380 nan 0.000 0.424 154 T N 1.924 116.563 114.554 0.143 0.000 2.777 154 T HA 0.036 4.386 4.350 -0.000 0.000 0.266 154 T C 2.134 176.923 174.700 0.149 0.000 1.040 154 T CA 0.490 62.702 62.100 0.187 0.000 1.141 154 T CB -0.194 68.866 68.868 0.321 0.000 0.868 154 T HN 0.127 nan 8.240 nan 0.000 0.444 155 L N 1.413 122.740 121.223 0.173 0.000 2.012 155 L HA -0.108 4.232 4.340 -0.000 0.000 0.210 155 L C 2.784 179.600 176.870 -0.091 0.000 1.073 155 L CA 1.364 56.205 54.840 0.001 0.000 0.748 155 L CB -0.831 41.199 42.059 -0.047 0.000 0.891 155 L HN 0.270 nan 8.230 nan 0.000 0.431 156 V N -3.589 116.261 119.914 -0.106 0.000 2.970 156 V HA -0.122 3.998 4.120 -0.000 0.000 0.260 156 V C 2.050 178.034 176.094 -0.182 0.000 1.100 156 V CA 1.727 63.910 62.300 -0.194 0.000 1.122 156 V CB -1.195 30.421 31.823 -0.344 0.000 0.721 156 V HN 0.609 nan 8.190 nan 0.000 0.483 157 T N -2.175 112.320 114.554 -0.099 0.000 3.086 157 T HA 0.387 4.736 4.350 -0.000 0.000 0.250 157 T C 0.533 175.227 174.700 -0.010 0.000 1.074 157 T CA -0.323 61.754 62.100 -0.038 0.000 0.988 157 T CB -0.540 68.348 68.868 0.034 0.000 0.988 157 T HN 0.410 nan 8.240 nan 0.000 0.530 158 L N 2.147 123.359 121.223 -0.019 0.000 2.514 158 L HA 0.229 4.568 4.340 -0.000 0.000 0.280 158 L C -2.122 174.747 176.870 -0.002 0.000 1.223 158 L CA -1.735 53.102 54.840 -0.005 0.000 0.864 158 L CB -0.101 41.949 42.059 -0.014 0.000 1.118 158 L HN 0.012 nan 8.230 nan 0.000 0.494 159 P HA 0.083 nan 4.420 nan 0.000 0.267 159 P C 0.642 177.949 177.300 0.013 0.000 1.209 159 P CA 0.628 63.734 63.100 0.010 0.000 0.763 159 P CB 0.902 32.609 31.700 0.011 0.000 0.816 160 G N 1.502 110.310 108.800 0.013 0.000 2.175 160 G HA2 -0.203 3.756 3.960 -0.000 0.000 0.244 160 G HA3 -0.203 3.756 3.960 -0.000 0.000 0.244 160 G C 0.061 174.976 174.900 0.026 0.000 0.982 160 G CA -0.258 44.855 45.100 0.021 0.000 0.641 160 G HN 0.518 nan 8.290 nan 0.000 0.527 161 V N 0.914 120.833 119.914 0.009 0.000 2.498 161 V HA 0.617 4.736 4.120 -0.000 0.000 0.279 161 V C 1.370 177.461 176.094 -0.005 0.000 1.048 161 V CA 0.949 63.249 62.300 0.001 0.000 0.967 161 V CB 1.467 33.263 31.823 -0.045 0.000 0.988 161 V HN 0.710 nan 8.190 nan 0.000 0.473 162 G N 2.865 111.675 108.800 0.016 0.000 3.274 162 G HA2 0.662 4.622 3.960 -0.000 0.000 0.250 162 G HA3 0.662 4.622 3.960 -0.000 0.000 0.250 162 G C 0.076 174.973 174.900 -0.004 0.000 1.024 162 G CA 0.682 45.787 45.100 0.008 0.000 0.840 162 G HN 1.091 nan 8.290 nan 0.000 0.522 163 A N -0.750 122.073 122.820 0.006 0.000 2.586 163 A HA 0.727 5.047 4.320 -0.000 0.000 0.291 163 A C -2.161 175.442 177.584 0.032 0.000 1.062 163 A CA -0.493 51.537 52.037 -0.012 0.000 0.666 163 A CB 1.226 20.254 19.000 0.047 0.000 1.281 163 A HN 0.712 nan 8.150 nan 0.000 0.421 167 T N 1.559 116.125 114.554 0.019 0.000 3.579 167 T HA 0.553 4.903 4.350 -0.000 0.000 0.328 167 T C -0.602 174.073 174.700 -0.042 0.000 1.481 167 T CA 0.158 62.144 62.100 -0.191 0.000 1.144 167 T CB 0.101 68.835 68.868 -0.224 0.000 1.205 167 T HN 0.357 nan 8.240 nan 0.000 0.812 168 S N 0.649 116.457 115.700 0.180 0.000 2.536 168 S HA 0.590 5.059 4.470 -0.000 0.000 0.271 168 S C 1.028 175.859 174.600 0.385 0.000 1.134 168 S CA -0.550 57.849 58.200 0.331 0.000 0.897 168 S CB 1.445 64.745 63.200 0.167 0.000 1.094 168 S HN 0.487 nan 8.310 nan 0.000 0.473 169 G N 1.516 110.480 108.800 0.273 0.000 2.985 169 G HA2 0.119 4.079 3.960 -0.000 0.000 0.209 169 G HA3 0.119 4.079 3.960 -0.000 0.000 0.209 169 G C 0.059 175.013 174.900 0.090 0.000 1.165 169 G CA -0.059 45.107 45.100 0.111 0.000 0.776 169 G HN 0.668 nan 8.290 nan 0.000 0.541 170 D N 0.937 121.401 120.400 0.107 0.000 2.441 170 D HA 0.178 4.818 4.640 -0.000 0.000 0.221 170 D C 1.371 177.732 176.300 0.102 0.000 1.156 170 D CA -0.426 53.633 54.000 0.098 0.000 0.896 170 D CB 0.516 41.372 40.800 0.092 0.000 1.028 170 D HN 0.042 nan 8.370 nan 0.000 0.509 171 L N 3.478 124.765 121.223 0.106 0.000 2.554 171 L HA -0.068 4.272 4.340 -0.000 0.000 0.226 171 L C 1.521 178.474 176.870 0.138 0.000 1.137 171 L CA 0.113 55.012 54.840 0.098 0.000 0.863 171 L CB -0.297 41.808 42.059 0.077 0.000 0.985 171 L HN 0.456 nan 8.230 nan 0.000 0.451 172 Y N 1.251 121.561 120.300 0.017 0.000 2.153 172 Y HA -0.272 4.278 4.550 -0.001 0.000 0.289 172 Y C 2.652 178.560 175.900 0.014 0.000 1.127 172 Y CA 1.699 59.806 58.100 0.011 0.000 1.131 172 Y CB -0.411 38.053 38.460 0.008 0.000 0.995 172 Y HN 0.137 nan 8.280 nan 0.000 0.505 173 Q N -0.527 119.199 119.800 -0.124 0.000 2.135 173 Q HA -0.278 4.061 4.340 -0.000 0.000 0.204 173 Q C 2.326 178.273 176.000 -0.089 0.000 0.981 173 Q CA 2.151 57.840 55.803 -0.191 0.000 0.856 173 Q CB -0.245 28.443 28.738 -0.084 0.000 0.902 173 Q HN 0.565 nan 8.270 nan 0.000 0.425 174 M N 0.697 120.290 119.600 -0.011 0.000 2.108 174 M HA -0.215 4.265 4.480 -0.000 0.000 0.261 174 M C 1.874 178.169 176.300 -0.007 0.000 1.066 174 M CA 1.755 57.059 55.300 0.007 0.000 1.107 174 M CB -0.250 32.369 32.600 0.032 0.000 1.356 174 M HN 0.170 nan 8.290 nan 0.000 0.406 175 E N -0.279 119.920 120.200 -0.001 0.000 2.072 175 E HA -0.219 4.131 4.350 -0.000 0.000 0.191 175 E C 1.933 178.511 176.600 -0.038 0.000 0.985 175 E CA 1.569 57.971 56.400 0.003 0.000 0.801 175 E CB -0.237 29.497 29.700 0.057 0.000 0.750 175 E HN 0.726 nan 8.360 nan 0.000 0.452 176 Q N 0.078 119.811 119.800 -0.113 0.000 2.084 176 Q HA -0.124 4.216 4.340 -0.000 0.000 0.202 176 Q C 2.452 178.395 176.000 -0.096 0.000 0.978 176 Q CA 1.495 57.209 55.803 -0.149 0.000 0.844 176 Q CB -0.091 28.467 28.738 -0.300 0.000 0.898 176 Q HN 0.352 nan 8.270 nan 0.000 0.426 177 I N 0.277 120.816 120.570 -0.052 0.000 2.179 177 I HA -0.279 3.891 4.170 -0.000 0.000 0.242 177 I C 2.532 178.683 176.117 0.057 0.000 1.088 177 I CA 0.993 62.318 61.300 0.041 0.000 1.357 177 I CB -0.182 37.853 38.000 0.058 0.000 1.051 177 I HN 0.098 nan 8.210 nan 0.000 0.409 178 R N 1.573 122.083 120.500 0.017 0.000 2.091 178 R HA -0.208 4.132 4.340 -0.000 0.000 0.238 178 R C 2.292 178.583 176.300 -0.015 0.000 1.136 178 R CA 1.784 57.891 56.100 0.011 0.000 0.959 178 R CB -0.609 29.689 30.300 -0.003 0.000 0.856 178 R HN 0.225 nan 8.270 nan 0.000 0.437 179 R N -0.276 120.199 120.500 -0.040 0.000 2.092 179 R HA -0.121 4.219 4.340 -0.000 0.000 0.231 179 R C 1.892 178.127 176.300 -0.107 0.000 1.119 179 R CA 1.810 57.877 56.100 -0.056 0.000 0.970 179 R CB -0.207 30.065 30.300 -0.047 0.000 0.864 179 R HN 0.298 nan 8.270 nan 0.000 0.440 180 E N -0.417 119.671 120.200 -0.188 0.000 2.158 180 E HA -0.089 4.261 4.350 -0.000 0.000 0.191 180 E C -0.340 175.944 176.600 -0.527 0.000 0.982 180 E CA 1.147 57.310 56.400 -0.395 0.000 0.823 180 E CB 0.269 29.628 29.700 -0.569 0.000 0.766 180 E HN 0.532 nan 8.360 nan 0.000 0.468 181 H N -0.954 118.101 119.070 -0.025 0.000 2.423 181 H HA 0.239 4.795 4.556 -0.001 0.000 0.237 181 H C -2.054 173.259 175.328 -0.026 0.000 1.391 181 H CA -1.912 54.122 56.048 -0.024 0.000 1.453 181 H CB 1.367 31.113 29.762 -0.026 0.000 1.484 181 H HN 0.098 nan 8.280 nan 0.000 0.505 182 P HA -0.189 nan 4.420 nan 0.000 0.217 182 P C 0.618 177.931 177.300 0.021 0.000 1.148 182 P CA 1.361 64.474 63.100 0.021 0.000 0.828 182 P CB 0.406 32.111 31.700 0.007 0.000 0.783 183 D N -1.983 118.436 120.400 0.032 0.000 2.398 183 D HA 0.076 4.715 4.640 -0.000 0.000 0.210 183 D C 0.644 176.942 176.300 -0.004 0.000 1.094 183 D CA -0.231 53.776 54.000 0.012 0.000 0.839 183 D CB -0.006 40.802 40.800 0.013 0.000 0.963 183 D HN 0.110 nan 8.370 nan 0.000 0.506 184 L N 1.823 123.050 121.223 0.007 0.000 2.490 184 L HA 0.010 4.350 4.340 -0.000 0.000 0.274 184 L C -0.176 176.642 176.870 -0.086 0.000 1.201 184 L CA 0.049 54.865 54.840 -0.040 0.000 0.869 184 L CB 0.930 42.968 42.059 -0.037 0.000 1.123 184 L HN -0.283 nan 8.230 nan 0.000 0.484 185 V N 6.741 126.574 119.914 -0.136 0.000 2.470 185 V HA 0.160 4.280 4.120 -0.000 0.000 0.276 185 V C -0.060 175.823 176.094 -0.352 0.000 1.040 185 V CA -0.240 61.906 62.300 -0.258 0.000 1.008 185 V CB 0.872 32.519 31.823 -0.293 0.000 0.990 185 V HN 0.574 nan 8.190 nan 0.000 0.477 186 L N 7.825 128.838 121.223 -0.350 0.000 2.388 186 L HA 0.522 4.862 4.340 -0.000 0.000 0.267 186 L C -1.087 175.669 176.870 -0.189 0.000 0.995 186 L CA -0.301 54.406 54.840 -0.223 0.000 0.864 186 L CB 1.067 43.069 42.059 -0.096 0.000 1.216 186 L HN 0.500 nan 8.230 nan 0.000 0.430 187 Y N 2.867 123.168 120.300 0.002 0.000 2.350 187 Y HA 0.325 4.875 4.550 -0.001 0.000 0.340 187 Y C 0.807 176.709 175.900 0.003 0.000 1.006 187 Y CA -0.436 57.666 58.100 0.004 0.000 1.166 187 Y CB 0.684 39.115 38.460 -0.047 0.000 1.168 187 Y HN 0.635 nan 8.280 nan 0.000 0.502 188 N N 1.625 120.445 118.700 0.200 0.000 2.440 188 N HA 0.095 4.834 4.740 -0.000 0.000 0.265 188 N C 1.087 176.676 175.510 0.131 0.000 1.239 188 N CA 0.552 53.700 53.050 0.163 0.000 0.909 188 N CB 0.652 39.241 38.487 0.170 0.000 1.066 188 N HN 0.917 nan 8.380 nan 0.000 0.474 189 G N 2.344 111.157 108.800 0.022 0.000 2.744 189 G HA2 -0.050 3.910 3.960 -0.000 0.000 0.211 189 G HA3 -0.050 3.910 3.960 -0.000 0.000 0.211 189 G C -0.409 174.360 174.900 -0.218 0.000 1.146 189 G CA 0.195 45.197 45.100 -0.162 0.000 0.787 189 G HN 0.531 nan 8.290 nan 0.000 0.534 190 Y N 1.813 122.161 120.300 0.082 0.000 2.434 190 Y HA 0.297 4.847 4.550 -0.001 0.000 0.341 190 Y C 0.592 176.577 175.900 0.142 0.000 0.965 190 Y CA -1.622 56.529 58.100 0.085 0.000 1.205 190 Y CB 1.443 39.954 38.460 0.085 0.000 1.121 190 Y HN 0.003 nan 8.280 nan 0.000 0.507 191 D N 0.923 121.478 120.400 0.258 0.000 2.221 191 D HA -0.190 4.449 4.640 -0.000 0.000 0.204 191 D C 1.299 177.821 176.300 0.371 0.000 0.982 191 D CA 1.354 55.512 54.000 0.262 0.000 0.857 191 D CB -0.058 40.820 40.800 0.130 0.000 0.934 191 D HN 0.594 nan 8.370 nan 0.000 0.475 192 N N 0.776 119.647 118.700 0.285 0.000 2.461 192 N HA -0.053 4.686 4.740 -0.000 0.000 0.188 192 N C 1.275 176.902 175.510 0.194 0.000 1.134 192 N CA 0.196 53.373 53.050 0.212 0.000 0.878 192 N CB -0.527 38.036 38.487 0.126 0.000 0.972 192 N HN 0.426 nan 8.380 nan 0.000 0.456 193 I N -5.700 115.019 120.570 0.247 0.000 3.966 193 I HA 0.400 4.570 4.170 -0.000 0.000 0.324 193 I C 0.837 177.100 176.117 0.242 0.000 1.517 193 I CA -0.764 60.655 61.300 0.198 0.000 1.117 193 I CB -0.205 37.880 38.000 0.142 0.000 1.190 193 I HN -0.222 nan 8.210 nan 0.000 0.466 194 F N 3.079 123.142 119.950 0.188 0.000 2.065 194 F HA -0.251 4.276 4.527 -0.001 0.000 0.298 194 F C 2.494 178.376 175.800 0.137 0.000 1.112 194 F CA 2.584 60.702 58.000 0.197 0.000 1.212 194 F CB -0.123 39.071 39.000 0.322 0.000 0.975 194 F HN 0.223 nan 8.300 nan 0.000 0.476 195 A N -0.594 122.341 122.820 0.192 0.000 1.883 195 A HA -0.215 4.105 4.320 -0.000 0.000 0.217 195 A C 2.355 179.919 177.584 -0.034 0.000 1.186 195 A CA 2.271 54.330 52.037 0.036 0.000 0.624 195 A CB -1.378 17.682 19.000 0.100 0.000 0.822 195 A HN 0.464 nan 8.150 nan 0.000 0.444 196 S N -0.571 115.140 115.700 0.019 0.000 2.399 196 S HA -0.036 4.433 4.470 -0.000 0.000 0.231 196 S C 2.020 176.612 174.600 -0.013 0.000 1.022 196 S CA 1.012 59.219 58.200 0.012 0.000 0.983 196 S CB -0.555 62.669 63.200 0.039 0.000 0.803 196 S HN 0.790 nan 8.310 nan 0.000 0.480 197 G N 1.632 110.414 108.800 -0.030 0.000 2.402 197 G HA2 -0.105 3.855 3.960 -0.000 0.000 0.216 197 G HA3 -0.105 3.855 3.960 -0.000 0.000 0.216 197 G C 1.317 176.147 174.900 -0.117 0.000 1.162 197 G CA 0.462 45.534 45.100 -0.047 0.000 0.777 197 G HN 0.428 nan 8.290 nan 0.000 0.539 198 L N -0.405 120.678 121.223 -0.234 0.000 2.046 198 L HA -0.012 4.327 4.340 -0.000 0.000 0.208 198 L C 2.692 179.496 176.870 -0.109 0.000 1.077 198 L CA 0.425 55.130 54.840 -0.226 0.000 0.747 198 L CB -0.412 41.444 42.059 -0.338 0.000 0.896 198 L HN 0.202 nan 8.230 nan 0.000 0.432 199 L N 0.275 121.452 121.223 -0.078 0.000 2.083 199 L HA -0.140 4.200 4.340 -0.000 0.000 0.209 199 L C 2.519 179.377 176.870 -0.020 0.000 1.083 199 L CA 1.948 56.766 54.840 -0.036 0.000 0.752 199 L CB -0.619 41.429 42.059 -0.019 0.000 0.899 199 L HN 0.150 nan 8.230 nan 0.000 0.433 200 A N -1.774 121.036 122.820 -0.016 0.000 2.067 200 A HA 0.365 4.685 4.320 -0.000 0.000 0.217 200 A C 1.812 179.394 177.584 -0.003 0.000 1.156 200 A CA 1.045 53.085 52.037 0.005 0.000 0.683 200 A CB -0.435 18.579 19.000 0.023 0.000 0.808 200 A HN 0.674 nan 8.150 nan 0.000 0.455 201 G N -2.858 105.928 108.800 -0.023 0.000 2.902 201 G HA2 0.309 4.269 3.960 -0.000 0.000 0.215 201 G HA3 0.309 4.269 3.960 -0.000 0.000 0.215 201 G C 0.358 175.234 174.900 -0.039 0.000 0.976 201 G CA 0.038 45.123 45.100 -0.025 0.000 0.794 201 G HN 1.209 nan 8.290 nan 0.000 0.557 202 A N 1.145 123.933 122.820 -0.053 0.000 2.498 202 A HA 0.491 4.811 4.320 -0.000 0.000 0.239 202 A C 0.990 178.524 177.584 -0.082 0.000 1.068 202 A CA 1.097 53.094 52.037 -0.066 0.000 0.766 202 A CB 0.239 19.197 19.000 -0.071 0.000 1.003 202 A HN 0.667 nan 8.150 nan 0.000 0.497 203 D N 0.245 120.601 120.400 -0.074 0.000 2.462 203 D HA 0.441 5.081 4.640 -0.000 0.000 0.221 203 D C 0.432 176.730 176.300 -0.004 0.000 1.173 203 D CA 0.563 54.530 54.000 -0.055 0.000 0.831 203 D CB 0.105 40.869 40.800 -0.059 0.000 1.001 203 D HN 0.879 nan 8.370 nan 0.000 0.499 204 G N -1.791 107.034 108.800 0.042 0.000 2.341 204 G HA2 0.556 4.516 3.960 -0.000 0.000 0.299 204 G HA3 0.556 4.516 3.960 -0.000 0.000 0.299 204 G C -1.179 173.963 174.900 0.402 0.000 1.274 204 G CA -0.408 44.834 45.100 0.236 0.000 0.853 204 G HN 0.527 nan 8.290 nan 0.000 0.493 205 G N -1.116 108.038 108.800 0.589 0.000 2.718 205 G HA2 0.641 4.601 3.960 -0.000 0.000 0.295 205 G HA3 0.641 4.601 3.960 -0.000 0.000 0.295 205 G C -1.592 173.491 174.900 0.305 0.000 1.421 205 G CA -0.591 44.858 45.100 0.582 0.000 0.902 205 G HN 0.723 nan 8.290 nan 0.000 0.501 206 I N 0.903 121.425 120.570 -0.079 0.000 2.447 206 I HA 0.668 4.837 4.170 -0.000 0.000 0.287 206 I C 0.201 175.856 176.117 -0.769 0.000 1.023 206 I CA -0.663 60.331 61.300 -0.510 0.000 1.083 206 I CB 2.287 39.780 38.000 -0.846 0.000 1.245 206 I HN 0.745 nan 8.210 nan 0.000 0.434 207 G N 2.291 110.278 108.800 -1.356 0.000 2.746 207 G HA2 0.344 4.304 3.960 -0.000 0.000 0.297 207 G HA3 0.344 4.304 3.960 -0.000 0.000 0.297 207 G C 0.351 174.652 174.900 -0.999 0.000 1.426 207 G CA -0.080 44.182 45.100 -1.396 0.000 0.989 207 G HN 0.613 nan 8.290 nan 0.000 0.520 208 S N 0.033 115.443 115.700 -0.483 0.000 2.368 208 S HA -0.174 4.296 4.470 -0.000 0.000 0.224 208 S C 2.328 176.846 174.600 -0.136 0.000 1.029 208 S CA 2.333 60.401 58.200 -0.219 0.000 0.988 208 S CB -0.701 62.497 63.200 -0.003 0.000 0.838 208 S HN 1.266 nan 8.310 nan 0.000 0.462 209 T N -1.702 112.788 114.554 -0.108 0.000 3.072 209 T HA 0.022 4.372 4.350 -0.000 0.000 0.266 209 T C 1.435 176.226 174.700 0.152 0.000 1.127 209 T CA 0.408 62.540 62.100 0.053 0.000 1.107 209 T CB -0.735 68.218 68.868 0.141 0.000 0.910 209 T HN 0.392 nan 8.240 nan 0.000 0.513 210 Y N 2.564 122.757 120.300 -0.178 0.000 2.333 210 Y HA 0.013 4.562 4.550 -0.000 0.000 0.290 210 Y C 2.390 178.266 175.900 -0.040 0.000 1.144 210 Y CA -0.437 57.570 58.100 -0.155 0.000 1.228 210 Y CB -1.289 37.018 38.460 -0.254 0.000 0.985 210 Y HN 0.347 nan 8.280 nan 0.000 0.542 211 N N 0.828 119.610 118.700 0.136 0.000 2.192 211 N HA -0.171 4.569 4.740 -0.000 0.000 0.188 211 N C 1.659 177.319 175.510 0.251 0.000 1.013 211 N CA 2.033 55.178 53.050 0.159 0.000 0.863 211 N CB -0.216 38.324 38.487 0.088 0.000 0.990 211 N HN 0.588 nan 8.380 nan 0.000 0.430 212 I N -2.933 117.742 120.570 0.175 0.000 4.181 212 I HA 0.256 4.425 4.170 -0.000 0.000 0.331 212 I C 0.934 177.038 176.117 -0.021 0.000 1.312 212 I CA 0.075 61.497 61.300 0.203 0.000 1.146 212 I CB 0.275 38.358 38.000 0.138 0.000 1.074 212 I HN -0.097 nan 8.210 nan 0.000 0.402 213 M N -0.564 118.875 119.600 -0.268 0.000 4.919 213 M HA 0.526 5.006 4.480 -0.000 0.000 0.591 213 M C 0.735 176.605 176.300 -0.717 0.000 2.207 213 M CA -0.159 54.528 55.300 -1.023 0.000 0.471 213 M CB -0.053 32.055 32.600 -0.820 0.000 1.465 213 M HN -0.074 nan 8.290 nan 0.000 0.636 214 G N 1.533 110.166 108.800 -0.280 0.000 2.450 214 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.220 214 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.220 214 G C 0.898 175.715 174.900 -0.140 0.000 1.130 214 G CA 1.469 46.500 45.100 -0.114 0.000 0.760 214 G HN 0.964 nan 8.290 nan 0.000 0.557 215 W N 0.873 122.144 121.300 -0.049 0.000 2.374 215 W HA 0.079 4.739 4.660 -0.000 0.000 0.288 215 W C 2.333 178.789 176.519 -0.105 0.000 1.218 215 W CA 0.644 57.945 57.345 -0.074 0.000 1.245 215 W CB -0.369 29.049 29.460 -0.069 0.000 1.126 215 W HN 0.040 nan 8.180 nan 0.000 0.545 216 R N -0.320 119.790 120.500 -0.651 0.000 2.073 216 R HA -0.173 4.167 4.340 -0.000 0.000 0.234 216 R C 2.180 178.192 176.300 -0.481 0.000 1.134 216 R CA 2.166 57.954 56.100 -0.521 0.000 0.952 216 R CB -1.044 28.806 30.300 -0.750 0.000 0.850 216 R HN 0.285 nan 8.270 nan 0.000 0.433 217 Y N 0.899 120.922 120.300 -0.462 0.000 2.224 217 Y HA -0.191 4.359 4.550 -0.001 0.000 0.289 217 Y C 2.631 178.348 175.900 -0.305 0.000 1.146 217 Y CA 0.979 58.704 58.100 -0.623 0.000 1.182 217 Y CB -0.197 37.500 38.460 -1.272 0.000 0.983 217 Y HN 0.025 nan 8.280 nan 0.000 0.524 218 Q N -0.390 119.360 119.800 -0.084 0.000 2.124 218 Q HA -0.113 4.227 4.340 -0.000 0.000 0.202 218 Q C 2.606 178.636 176.000 0.051 0.000 0.977 218 Q CA 1.405 57.219 55.803 0.019 0.000 0.850 218 Q CB -0.932 27.829 28.738 0.038 0.000 0.901 218 Q HN 0.611 nan 8.270 nan 0.000 0.429 219 G N 0.690 109.507 108.800 0.028 0.000 2.448 219 G HA2 -0.172 3.787 3.960 -0.000 0.000 0.219 219 G HA3 -0.172 3.787 3.960 -0.000 0.000 0.219 219 G C 1.529 176.456 174.900 0.045 0.000 1.127 219 G CA 0.304 45.428 45.100 0.039 0.000 0.766 219 G HN 0.271 nan 8.290 nan 0.000 0.552 220 I N 0.259 120.867 120.570 0.062 0.000 2.286 220 I HA -0.111 4.058 4.170 -0.000 0.000 0.245 220 I C 2.697 178.912 176.117 0.163 0.000 1.104 220 I CA 0.312 61.695 61.300 0.138 0.000 1.397 220 I CB -0.097 38.062 38.000 0.265 0.000 1.072 220 I HN 0.014 nan 8.210 nan 0.000 0.417 221 V N 1.276 121.313 119.914 0.205 0.000 2.295 221 V HA -0.330 3.790 4.120 -0.000 0.000 0.246 221 V C 2.519 178.662 176.094 0.081 0.000 1.049 221 V CA 2.153 64.540 62.300 0.146 0.000 1.024 221 V CB -0.779 31.142 31.823 0.164 0.000 0.648 221 V HN 0.442 nan 8.190 nan 0.000 0.447 222 K N 0.666 121.109 120.400 0.072 0.000 1.991 222 K HA -0.206 4.113 4.320 -0.000 0.000 0.212 222 K C 2.240 178.864 176.600 0.040 0.000 1.049 222 K CA 1.824 58.140 56.287 0.049 0.000 0.932 222 K CB -0.509 32.018 32.500 0.045 0.000 0.717 222 K HN 0.360 nan 8.250 nan 0.000 0.441 223 A N 1.411 124.257 122.820 0.042 0.000 1.892 223 A HA -0.174 4.146 4.320 -0.000 0.000 0.218 223 A C 2.209 179.810 177.584 0.029 0.000 1.188 223 A CA 1.808 53.865 52.037 0.033 0.000 0.631 223 A CB -0.768 18.252 19.000 0.034 0.000 0.822 223 A HN 0.398 nan 8.150 nan 0.000 0.447 224 L N -1.308 119.935 121.223 0.033 0.000 2.156 224 L HA -0.123 4.217 4.340 -0.000 0.000 0.208 224 L C 2.537 179.417 176.870 0.016 0.000 1.095 224 L CA 1.328 56.181 54.840 0.021 0.000 0.770 224 L CB -0.383 41.684 42.059 0.014 0.000 0.914 224 L HN 0.354 nan 8.230 nan 0.000 0.439 225 K N 0.302 120.715 120.400 0.021 0.000 2.147 225 K HA -0.171 4.149 4.320 -0.000 0.000 0.205 225 K C 1.590 178.199 176.600 0.014 0.000 1.049 225 K CA 1.249 57.546 56.287 0.017 0.000 0.936 225 K CB 0.024 32.537 32.500 0.021 0.000 0.722 225 K HN 0.367 nan 8.250 nan 0.000 0.446 226 E N -0.606 119.603 120.200 0.016 0.000 2.489 226 E HA 0.022 4.372 4.350 -0.000 0.000 0.193 226 E C 0.627 177.234 176.600 0.011 0.000 1.057 226 E CA 0.216 56.624 56.400 0.013 0.000 0.866 226 E CB 0.425 30.133 29.700 0.015 0.000 0.916 226 E HN 0.446 nan 8.360 nan 0.000 0.500 227 G N 2.860 111.666 108.800 0.011 0.000 2.179 227 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.257 227 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.257 227 G C -0.040 174.866 174.900 0.010 0.000 1.010 227 G CA 0.560 45.665 45.100 0.009 0.000 0.736 227 G HN 0.313 nan 8.290 nan 0.000 0.513 228 D N -0.028 120.380 120.400 0.013 0.000 2.522 228 D HA 0.421 5.060 4.640 -0.000 0.000 0.218 228 D C 1.679 177.988 176.300 0.015 0.000 1.149 228 D CA -0.671 53.336 54.000 0.013 0.000 0.981 228 D CB -0.354 40.455 40.800 0.014 0.000 1.041 228 D HN 0.263 nan 8.370 nan 0.000 0.518 229 I N 1.677 122.254 120.570 0.012 0.000 2.286 229 I HA -0.269 3.901 4.170 -0.000 0.000 0.248 229 I C 2.307 178.432 176.117 0.014 0.000 1.115 229 I CA 0.875 62.183 61.300 0.013 0.000 1.392 229 I CB 0.027 38.034 38.000 0.011 0.000 1.065 229 I HN 0.335 nan 8.210 nan 0.000 0.418 230 Q N 0.235 120.043 119.800 0.012 0.000 2.061 230 Q HA -0.197 4.143 4.340 -0.000 0.000 0.204 230 Q C 2.189 178.196 176.000 0.011 0.000 0.984 230 Q CA 2.479 58.288 55.803 0.011 0.000 0.846 230 Q CB -0.200 28.544 28.738 0.009 0.000 0.902 230 Q HN 0.424 nan 8.270 nan 0.000 0.421 231 T N 0.119 114.681 114.554 0.013 0.000 2.746 231 T HA -0.139 4.211 4.350 -0.000 0.000 0.267 231 T C 1.740 176.448 174.700 0.013 0.000 1.039 231 T CA 1.141 63.249 62.100 0.013 0.000 1.142 231 T CB -0.540 68.337 68.868 0.016 0.000 0.866 231 T HN 0.451 nan 8.240 nan 0.000 0.444 232 A N 1.555 124.387 122.820 0.020 0.000 1.883 232 A HA -0.225 4.094 4.320 -0.000 0.000 0.217 232 A C 2.301 179.900 177.584 0.025 0.000 1.186 232 A CA 1.756 53.811 52.037 0.030 0.000 0.624 232 A CB -0.712 18.310 19.000 0.037 0.000 0.822 232 A HN 0.562 nan 8.150 nan 0.000 0.444 233 Q N -0.940 118.872 119.800 0.020 0.000 2.079 233 Q HA -0.158 4.182 4.340 -0.000 0.000 0.200 233 Q C 2.238 178.242 176.000 0.008 0.000 0.974 233 Q CA 1.347 57.161 55.803 0.018 0.000 0.840 233 Q CB -0.184 28.563 28.738 0.015 0.000 0.898 233 Q HN 0.458 nan 8.270 nan 0.000 0.430 234 K N 1.155 121.557 120.400 0.003 0.000 2.026 234 K HA -0.133 4.186 4.320 -0.000 0.000 0.208 234 K C 1.985 178.573 176.600 -0.020 0.000 1.048 234 K CA 1.168 57.453 56.287 -0.003 0.000 0.929 234 K CB -0.308 32.193 32.500 0.001 0.000 0.713 234 K HN 0.217 nan 8.250 nan 0.000 0.439 235 L N 0.567 121.771 121.223 -0.031 0.000 2.046 235 L HA -0.206 4.134 4.340 -0.000 0.000 0.208 235 L C 2.774 179.575 176.870 -0.116 0.000 1.077 235 L CA 1.344 56.135 54.840 -0.083 0.000 0.747 235 L CB -0.404 41.599 42.059 -0.093 0.000 0.896 235 L HN 0.205 nan 8.230 nan 0.000 0.432 236 Q N -0.277 119.489 119.800 -0.055 0.000 2.124 236 Q HA -0.170 4.169 4.340 -0.000 0.000 0.202 236 Q C 2.060 178.050 176.000 -0.017 0.000 0.977 236 Q CA 2.271 58.060 55.803 -0.024 0.000 0.850 236 Q CB -0.264 28.507 28.738 0.055 0.000 0.901 236 Q HN 0.338 nan 8.270 nan 0.000 0.429 237 T N 0.975 115.522 114.554 -0.011 0.000 2.746 237 T HA -0.133 4.217 4.350 -0.000 0.000 0.267 237 T C 1.373 176.063 174.700 -0.018 0.000 1.039 237 T CA 1.406 63.503 62.100 -0.005 0.000 1.142 237 T CB -0.191 68.677 68.868 0.000 0.000 0.866 237 T HN 0.318 nan 8.240 nan 0.000 0.444 238 E N 0.667 120.844 120.200 -0.038 0.000 2.051 238 E HA -0.089 4.261 4.350 -0.000 0.000 0.192 238 E C 2.609 179.168 176.600 -0.068 0.000 0.991 238 E CA 0.742 57.114 56.400 -0.046 0.000 0.799 238 E CB -0.800 28.868 29.700 -0.052 0.000 0.748 238 E HN 0.500 nan 8.360 nan 0.000 0.449 239 C N 1.155 120.381 119.300 -0.123 0.000 2.401 239 C HA -0.136 4.324 4.460 -0.000 0.000 0.276 239 C C 2.397 177.383 174.990 -0.006 0.000 1.233 239 C CA 0.824 59.773 59.018 -0.116 0.000 1.753 239 C CB -1.407 26.200 27.740 -0.222 0.000 2.029 239 C HN 0.502 nan 8.230 nan 0.000 0.478 240 N N 0.142 118.846 118.700 0.007 0.000 2.270 240 N HA -0.094 4.646 4.740 -0.000 0.000 0.181 240 N C 1.740 177.260 175.510 0.017 0.000 1.016 240 N CA 0.716 53.784 53.050 0.030 0.000 0.870 240 N CB -0.099 38.408 38.487 0.033 0.000 0.979 240 N HN 0.599 nan 8.380 nan 0.000 0.431 241 K N 0.796 121.200 120.400 0.006 0.000 2.063 241 K HA -0.109 4.211 4.320 -0.000 0.000 0.208 241 K C 2.026 178.631 176.600 0.008 0.000 1.048 241 K CA 1.052 57.343 56.287 0.007 0.000 0.928 241 K CB -0.158 32.345 32.500 0.005 0.000 0.713 241 K HN 0.010 nan 8.250 nan 0.000 0.442 242 V N 1.722 121.639 119.914 0.007 0.000 2.358 242 V HA -0.228 3.892 4.120 -0.000 0.000 0.246 242 V C 2.178 178.280 176.094 0.015 0.000 1.047 242 V CA 1.605 63.912 62.300 0.011 0.000 1.035 242 V CB -0.397 31.431 31.823 0.009 0.000 0.658 242 V HN 0.273 nan 8.190 nan 0.000 0.452 243 I N 0.172 120.759 120.570 0.028 0.000 2.286 243 I HA -0.223 3.947 4.170 -0.000 0.000 0.248 243 I C 2.255 178.376 176.117 0.006 0.000 1.115 243 I CA 1.402 62.722 61.300 0.033 0.000 1.392 243 I CB -0.509 37.531 38.000 0.066 0.000 1.065 243 I HN 0.318 nan 8.210 nan 0.000 0.418 244 D N 0.834 121.236 120.400 0.003 0.000 2.104 244 D HA -0.207 4.433 4.640 -0.000 0.000 0.194 244 D C 2.015 178.294 176.300 -0.034 0.000 0.994 244 D CA 1.250 55.245 54.000 -0.009 0.000 0.830 244 D CB -0.393 40.406 40.800 -0.001 0.000 0.959 244 D HN 0.200 nan 8.370 nan 0.000 0.452 245 L N 0.505 121.707 121.223 -0.035 0.000 2.017 245 L HA -0.107 4.233 4.340 -0.000 0.000 0.208 245 L C 2.177 178.970 176.870 -0.129 0.000 1.073 245 L CA 1.382 56.176 54.840 -0.076 0.000 0.745 245 L CB -0.464 41.572 42.059 -0.039 0.000 0.894 245 L HN 0.023 nan 8.230 nan 0.000 0.432 246 L N -0.902 120.275 121.223 -0.077 0.000 2.083 246 L HA -0.249 4.091 4.340 -0.000 0.000 0.209 246 L C 2.550 179.356 176.870 -0.106 0.000 1.083 246 L CA 1.482 56.274 54.840 -0.080 0.000 0.752 246 L CB -0.556 41.486 42.059 -0.028 0.000 0.899 246 L HN 0.311 nan 8.230 nan 0.000 0.433 247 I N -0.270 120.251 120.570 -0.082 0.000 2.226 247 I HA -0.297 3.872 4.170 -0.000 0.000 0.245 247 I C 2.591 178.644 176.117 -0.106 0.000 1.100 247 I CA 1.376 62.630 61.300 -0.078 0.000 1.374 247 I CB -0.234 37.739 38.000 -0.043 0.000 1.057 247 I HN 0.229 nan 8.210 nan 0.000 0.413 248 K N 0.200 120.510 120.400 -0.149 0.000 2.057 248 K HA -0.163 4.157 4.320 -0.000 0.000 0.207 248 K C 2.062 178.435 176.600 -0.378 0.000 1.049 248 K CA 2.070 58.229 56.287 -0.214 0.000 0.931 248 K CB -0.339 32.001 32.500 -0.267 0.000 0.714 248 K HN 0.466 nan 8.250 nan 0.000 0.440 249 T N -2.045 112.214 114.554 -0.492 0.000 3.055 249 T HA 0.140 4.490 4.350 -0.000 0.000 0.265 249 T C 0.804 175.414 174.700 -0.150 0.000 1.111 249 T CA 0.321 62.152 62.100 -0.449 0.000 1.118 249 T CB 0.036 68.686 68.868 -0.363 0.000 0.909 249 T HN 0.330 nan 8.240 nan 0.000 0.501 250 G N 0.018 108.741 108.800 -0.128 0.000 3.190 250 G HA2 -0.071 3.889 3.960 -0.000 0.000 0.686 250 G HA3 -0.071 3.889 3.960 -0.000 0.000 0.686 250 G C 0.196 175.012 174.900 -0.139 0.000 1.033 250 G CA -0.504 44.536 45.100 -0.101 0.000 0.797 250 G HN 0.255 nan 8.290 nan 0.000 0.567 251 V N 3.354 123.140 119.914 -0.214 0.000 2.255 251 V HA -0.015 4.105 4.120 -0.000 0.000 0.243 251 V C 2.657 178.715 176.094 -0.060 0.000 1.038 251 V CA 2.556 64.755 62.300 -0.168 0.000 1.008 251 V CB -0.790 30.908 31.823 -0.209 0.000 0.645 251 V HN 0.694 nan 8.190 nan 0.000 0.449 252 F N 1.626 121.492 119.950 -0.140 0.000 2.134 252 F HA -0.124 4.403 4.527 -0.000 0.000 0.299 252 F C 2.615 178.316 175.800 -0.165 0.000 1.097 252 F CA 1.633 59.526 58.000 -0.179 0.000 1.264 252 F CB -1.189 37.632 39.000 -0.297 0.000 1.001 252 F HN 0.230 nan 8.300 nan 0.000 0.479 253 R N 0.159 120.648 120.500 -0.019 0.000 2.148 253 R HA 0.060 4.399 4.340 -0.000 0.000 0.223 253 R C 2.370 178.667 176.300 -0.006 0.000 1.088 253 R CA 1.296 57.379 56.100 -0.028 0.000 0.985 253 R CB -1.384 28.890 30.300 -0.043 0.000 0.880 253 R HN 0.273 nan 8.270 nan 0.000 0.451 254 G N 2.000 110.794 108.800 -0.010 0.000 2.402 254 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.216 254 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.216 254 G C 1.541 176.458 174.900 0.029 0.000 1.162 254 G CA 0.449 45.551 45.100 0.004 0.000 0.777 254 G HN 0.151 nan 8.290 nan 0.000 0.539 255 L N -0.053 121.191 121.223 0.034 0.000 2.042 255 L HA -0.094 4.246 4.340 -0.000 0.000 0.210 255 L C 2.952 179.834 176.870 0.020 0.000 1.076 255 L CA 1.411 56.277 54.840 0.042 0.000 0.749 255 L CB -0.259 41.835 42.059 0.058 0.000 0.893 255 L HN 0.166 nan 8.230 nan 0.000 0.432 256 K N -0.898 119.503 120.400 0.002 0.000 2.148 256 K HA -0.110 4.210 4.320 -0.000 0.000 0.204 256 K C 2.059 178.638 176.600 -0.034 0.000 1.050 256 K CA 1.624 57.893 56.287 -0.030 0.000 0.942 256 K CB -0.134 32.341 32.500 -0.043 0.000 0.724 256 K HN 0.284 nan 8.250 nan 0.000 0.446 257 T N 0.754 115.296 114.554 -0.020 0.000 2.777 257 T HA -0.092 4.257 4.350 -0.000 0.000 0.266 257 T C 1.969 176.667 174.700 -0.003 0.000 1.040 257 T CA 1.029 63.104 62.100 -0.041 0.000 1.141 257 T CB -0.137 68.745 68.868 0.024 0.000 0.868 257 T HN -0.071 nan 8.240 nan 0.000 0.444 258 V N 1.794 121.765 119.914 0.096 0.000 2.287 258 V HA -0.158 3.962 4.120 -0.000 0.000 0.248 258 V C 2.495 178.630 176.094 0.068 0.000 1.053 258 V CA 1.586 63.978 62.300 0.154 0.000 1.027 258 V CB -0.735 31.163 31.823 0.125 0.000 0.646 258 V HN 0.441 nan 8.190 nan 0.000 0.447 259 L N -0.573 120.645 121.223 -0.009 0.000 2.131 259 L HA -0.224 4.116 4.340 -0.000 0.000 0.210 259 L C 2.564 179.368 176.870 -0.110 0.000 1.092 259 L CA 1.918 56.693 54.840 -0.109 0.000 0.759 259 L CB -0.865 41.119 42.059 -0.124 0.000 0.903 259 L HN 0.524 nan 8.230 nan 0.000 0.435 260 H N -0.554 118.394 119.070 -0.203 0.000 2.357 260 H HA -0.197 4.358 4.556 -0.000 0.000 0.301 260 H C 2.103 177.296 175.328 -0.226 0.000 1.082 260 H CA 1.844 57.735 56.048 -0.261 0.000 1.342 260 H CB 0.102 29.645 29.762 -0.365 0.000 1.389 260 H HN 0.267 nan 8.280 nan 0.000 0.511 261 Y N 0.435 120.643 120.300 -0.153 0.000 2.439 261 Y HA -0.051 4.498 4.550 -0.001 0.000 0.292 261 Y C 2.424 178.248 175.900 -0.126 0.000 1.130 261 Y CA 0.623 58.619 58.100 -0.174 0.000 1.254 261 Y CB -0.189 38.234 38.460 -0.062 0.000 1.000 261 Y HN 0.206 nan 8.280 nan 0.000 0.554 262 M N -0.150 119.455 119.600 0.007 0.000 2.633 262 M HA -0.007 4.473 4.480 -0.000 0.000 0.226 262 M C -0.353 175.876 176.300 -0.118 0.000 1.137 262 M CA 0.639 55.910 55.300 -0.047 0.000 1.020 262 M CB -0.058 32.473 32.600 -0.116 0.000 1.675 262 M HN 0.070 nan 8.290 nan 0.000 0.500 263 D N -0.628 119.696 120.400 -0.127 0.000 2.870 263 D HA -0.143 4.497 4.640 -0.000 0.000 0.228 263 D C 0.696 176.919 176.300 -0.128 0.000 1.147 263 D CA 0.419 54.349 54.000 -0.117 0.000 0.757 263 D CB -1.501 39.262 40.800 -0.061 0.000 1.091 263 D HN 0.252 nan 8.370 nan 0.000 0.429 264 V N -1.185 118.613 119.914 -0.193 0.000 2.690 264 V HA 0.044 4.163 4.120 -0.000 0.000 0.240 264 V C 1.173 177.198 176.094 -0.115 0.000 1.078 264 V CA 0.498 62.675 62.300 -0.205 0.000 1.102 264 V CB 0.766 32.332 31.823 -0.428 0.000 0.800 264 V HN 0.086 nan 8.190 nan 0.000 0.479 265 V N 0.807 120.668 119.914 -0.088 0.000 2.370 265 V HA 0.287 4.407 4.120 -0.000 0.000 0.283 265 V C 1.167 177.289 176.094 0.046 0.000 1.023 265 V CA 0.213 62.487 62.300 -0.044 0.000 0.857 265 V CB 1.333 33.118 31.823 -0.064 0.000 0.985 265 V HN 0.328 nan 8.190 nan 0.000 0.443 266 S N 3.595 119.307 115.700 0.020 0.000 2.368 266 S HA -0.002 4.467 4.470 -0.000 0.000 0.224 266 S C 0.559 175.139 174.600 -0.033 0.000 1.029 266 S CA 0.892 59.126 58.200 0.057 0.000 0.988 266 S CB 0.175 63.384 63.200 0.014 0.000 0.838 266 S HN 0.535 nan 8.310 nan 0.000 0.462 267 V N 3.341 123.188 119.914 -0.111 0.000 2.447 267 V HA 0.303 4.423 4.120 -0.000 0.000 0.292 267 V C -2.378 173.610 176.094 -0.178 0.000 1.021 267 V CA -1.552 60.632 62.300 -0.194 0.000 0.850 267 V CB 1.933 33.707 31.823 -0.083 0.000 1.005 267 V HN 0.114 nan 8.190 nan 0.000 0.426 268 P HA 0.209 nan 4.420 nan 0.000 0.243 268 P C -0.192 177.069 177.300 -0.065 0.000 1.668 268 P CA 0.016 63.019 63.100 -0.162 0.000 0.898 268 P CB 0.169 31.741 31.700 -0.214 0.000 1.637 269 L N -0.135 121.083 121.223 -0.008 0.000 2.357 269 L HA 0.330 4.670 4.340 -0.000 0.000 0.273 269 L C 0.787 177.754 176.870 0.162 0.000 1.080 269 L CA -0.687 54.188 54.840 0.058 0.000 0.803 269 L CB 0.995 43.091 42.059 0.061 0.000 1.174 269 L HN 0.039 nan 8.230 nan 0.000 0.443 270 C N 1.502 120.877 119.300 0.125 0.000 2.335 270 C HA 0.424 4.884 4.460 -0.000 0.000 0.363 270 C C 0.762 175.838 174.990 0.143 0.000 1.198 270 C CA -0.805 58.313 59.018 0.166 0.000 2.279 270 C CB 1.240 28.913 27.740 -0.111 0.000 2.334 270 C HN 0.742 nan 8.230 nan 0.000 0.559 271 R N 1.316 121.861 120.500 0.076 0.000 2.539 271 R HA 0.172 4.512 4.340 -0.000 0.000 0.275 271 R C 0.004 176.379 176.300 0.125 0.000 1.077 271 R CA -0.336 55.705 56.100 -0.098 0.000 1.097 271 R CB 0.467 30.561 30.300 -0.342 0.000 1.018 271 R HN 0.553 nan 8.270 nan 0.000 0.483 272 K N 3.004 123.419 120.400 0.024 0.000 2.485 272 K HA -0.003 4.317 4.320 -0.000 0.000 0.277 272 K C -1.490 175.105 176.600 -0.010 0.000 0.990 272 K CA -0.787 55.514 56.287 0.025 0.000 0.994 272 K CB 0.363 32.856 32.500 -0.011 0.000 0.906 272 K HN 0.478 nan 8.250 nan 0.000 0.488 273 P HA 0.041 nan 4.420 nan 0.000 0.249 273 P C -0.148 177.111 177.300 -0.068 0.000 1.229 273 P CA -0.021 63.031 63.100 -0.080 0.000 0.788 273 P CB 0.136 31.764 31.700 -0.121 0.000 1.072 274 F N 1.366 121.331 119.950 0.026 0.000 2.607 274 F HA 0.291 4.818 4.527 -0.000 0.000 0.374 274 F C 1.844 177.658 175.800 0.025 0.000 1.104 274 F CA 0.645 58.667 58.000 0.036 0.000 1.296 274 F CB 0.039 39.081 39.000 0.071 0.000 1.085 274 F HN -0.070 nan 8.300 nan 0.000 0.584 275 G N 2.959 111.896 108.800 0.229 0.000 2.557 275 G HA2 0.640 4.600 3.960 -0.000 0.000 0.302 275 G HA3 0.640 4.600 3.960 -0.000 0.000 0.302 275 G C -2.681 172.296 174.900 0.129 0.000 1.311 275 G CA -1.339 43.843 45.100 0.137 0.000 1.030 275 G HN 0.415 nan 8.290 nan 0.000 0.509 276 P HA 0.298 nan 4.420 nan 0.000 0.276 276 P C -0.018 177.333 177.300 0.085 0.000 1.252 276 P CA -0.457 62.684 63.100 0.070 0.000 0.802 276 P CB 1.109 32.839 31.700 0.049 0.000 1.035 277 V N 1.631 121.595 119.914 0.082 0.000 2.872 277 V HA -0.038 4.082 4.120 -0.000 0.000 0.307 277 V C 1.099 177.282 176.094 0.148 0.000 1.072 277 V CA 0.312 62.687 62.300 0.125 0.000 1.148 277 V CB -0.154 31.743 31.823 0.124 0.000 0.954 277 V HN 0.635 nan 8.190 nan 0.000 0.490 278 D N 3.176 123.708 120.400 0.220 0.000 2.425 278 D HA 0.014 4.654 4.640 -0.000 0.000 0.247 278 D C 1.110 177.469 176.300 0.098 0.000 1.147 278 D CA 0.086 54.165 54.000 0.133 0.000 0.879 278 D CB 1.055 41.905 40.800 0.083 0.000 1.179 278 D HN 0.660 nan 8.370 nan 0.000 0.456 279 E N 2.437 122.659 120.200 0.037 0.000 2.338 279 E HA -0.182 4.168 4.350 -0.000 0.000 0.197 279 E C 1.653 178.250 176.600 -0.004 0.000 1.007 279 E CA 0.486 56.911 56.400 0.041 0.000 0.849 279 E CB 0.125 29.845 29.700 0.032 0.000 0.774 279 E HN 0.566 nan 8.360 nan 0.000 0.506 280 K N 0.136 120.463 120.400 -0.122 0.000 2.442 280 K HA -0.132 4.188 4.320 -0.000 0.000 0.198 280 K C 0.943 177.438 176.600 -0.175 0.000 1.042 280 K CA 1.006 57.177 56.287 -0.194 0.000 0.958 280 K CB -0.025 32.287 32.500 -0.313 0.000 0.766 280 K HN 0.109 nan 8.250 nan 0.000 0.474 281 Y N 1.254 121.582 120.300 0.047 0.000 2.500 281 Y HA 0.186 4.735 4.550 -0.001 0.000 0.270 281 Y C 1.815 177.757 175.900 0.070 0.000 1.134 281 Y CA -0.197 57.934 58.100 0.052 0.000 1.293 281 Y CB 0.001 38.494 38.460 0.054 0.000 1.063 281 Y HN -0.080 nan 8.280 nan 0.000 0.534 282 L N 0.231 121.580 121.223 0.211 0.000 2.046 282 L HA -0.166 4.174 4.340 -0.000 0.000 0.208 282 L C -0.379 176.550 176.870 0.100 0.000 1.077 282 L CA 1.251 56.218 54.840 0.212 0.000 0.747 282 L CB -1.710 40.481 42.059 0.220 0.000 0.896 282 L HN 0.133 nan 8.230 nan 0.000 0.432 283 P HA -0.189 nan 4.420 nan 0.000 0.216 283 P C 1.317 178.618 177.300 0.001 0.000 1.153 283 P CA 1.385 64.480 63.100 -0.008 0.000 0.858 283 P CB 0.067 31.770 31.700 0.005 0.000 0.789 284 E N -0.660 119.577 120.200 0.063 0.000 2.051 284 E HA -0.140 4.210 4.350 -0.000 0.000 0.192 284 E C 2.039 178.677 176.600 0.064 0.000 0.991 284 E CA 0.945 57.387 56.400 0.071 0.000 0.799 284 E CB -0.677 29.096 29.700 0.121 0.000 0.748 284 E HN 0.198 nan 8.360 nan 0.000 0.449 285 L N 0.955 122.244 121.223 0.109 0.000 2.083 285 L HA -0.210 4.130 4.340 -0.000 0.000 0.209 285 L C 2.610 179.533 176.870 0.089 0.000 1.083 285 L CA 1.213 56.143 54.840 0.150 0.000 0.752 285 L CB -0.351 41.864 42.059 0.261 0.000 0.899 285 L HN 0.058 nan 8.230 nan 0.000 0.433 286 K N 0.306 120.620 120.400 -0.143 0.000 2.057 286 K HA -0.156 4.164 4.320 -0.000 0.000 0.206 286 K C 2.171 178.653 176.600 -0.197 0.000 1.050 286 K CA 1.225 57.214 56.287 -0.497 0.000 0.935 286 K CB -0.060 31.983 32.500 -0.762 0.000 0.715 286 K HN 0.260 nan 8.250 nan 0.000 0.439 287 A N 1.297 124.058 122.820 -0.098 0.000 1.930 287 A HA -0.141 4.179 4.320 -0.000 0.000 0.217 287 A C 2.004 179.591 177.584 0.004 0.000 1.175 287 A CA 1.188 53.201 52.037 -0.040 0.000 0.627 287 A CB -0.579 18.410 19.000 -0.018 0.000 0.815 287 A HN 0.380 nan 8.150 nan 0.000 0.443 288 L N 0.007 121.246 121.223 0.028 0.000 2.012 288 L HA -0.102 4.237 4.340 -0.000 0.000 0.210 288 L C 2.655 179.578 176.870 0.089 0.000 1.073 288 L CA 2.290 57.166 54.840 0.061 0.000 0.748 288 L CB -1.075 41.026 42.059 0.070 0.000 0.891 288 L HN 0.355 nan 8.230 nan 0.000 0.431 289 A N -0.998 121.880 122.820 0.097 0.000 1.873 289 A HA -0.319 4.001 4.320 -0.000 0.000 0.218 289 A C 2.200 179.848 177.584 0.107 0.000 1.193 289 A CA 2.171 54.285 52.037 0.130 0.000 0.629 289 A CB -0.739 18.362 19.000 0.169 0.000 0.826 289 A HN 0.671 nan 8.150 nan 0.000 0.447 290 Q N -1.094 118.737 119.800 0.052 0.000 2.030 290 Q HA -0.272 4.068 4.340 -0.000 0.000 0.204 290 Q C 2.438 178.474 176.000 0.059 0.000 0.986 290 Q CA 1.899 57.726 55.803 0.039 0.000 0.843 290 Q CB -0.274 28.463 28.738 -0.001 0.000 0.904 290 Q HN 0.848 nan 8.270 nan 0.000 0.420 291 Q N 0.705 120.541 119.800 0.061 0.000 2.029 291 Q HA -0.242 4.098 4.340 -0.000 0.000 0.209 291 Q C 2.074 178.149 176.000 0.126 0.000 0.999 291 Q CA 1.685 57.533 55.803 0.076 0.000 0.857 291 Q CB -0.239 28.541 28.738 0.069 0.000 0.926 291 Q HN 0.412 nan 8.270 nan 0.000 0.415 292 L N -0.183 121.150 121.223 0.182 0.000 2.131 292 L HA -0.198 4.141 4.340 -0.000 0.000 0.210 292 L C 2.692 179.725 176.870 0.273 0.000 1.092 292 L CA 0.999 56.037 54.840 0.331 0.000 0.759 292 L CB -0.326 41.970 42.059 0.396 0.000 0.903 292 L HN 0.399 nan 8.230 nan 0.000 0.435 293 M N -0.965 118.741 119.600 0.177 0.000 2.175 293 M HA -0.239 4.241 4.480 -0.000 0.000 0.264 293 M C 2.309 178.619 176.300 0.016 0.000 1.063 293 M CA 1.592 56.952 55.300 0.100 0.000 1.119 293 M CB -0.185 32.473 32.600 0.096 0.000 1.377 293 M HN 0.197 nan 8.290 nan 0.000 0.415 294 Q N 0.356 120.173 119.800 0.028 0.000 2.172 294 Q HA -0.164 4.175 4.340 -0.000 0.000 0.200 294 Q C 1.776 177.755 176.000 -0.035 0.000 0.964 294 Q CA 1.397 57.198 55.803 -0.003 0.000 0.855 294 Q CB 0.120 28.867 28.738 0.014 0.000 0.918 294 Q HN 0.483 nan 8.270 nan 0.000 0.444 295 E N -0.304 119.886 120.200 -0.016 0.000 2.028 295 E HA -0.109 4.240 4.350 -0.000 0.000 0.190 295 E C -0.170 176.277 176.600 -0.256 0.000 0.984 295 E CA 0.354 56.729 56.400 -0.040 0.000 0.800 295 E CB 0.247 30.037 29.700 0.150 0.000 0.758 295 E HN 0.158 nan 8.360 nan 0.000 0.448 296 R N 0.000 120.182 120.500 -0.530 0.000 2.786 296 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 296 R CA 0.000 55.605 56.100 -0.825 0.000 0.921 296 R CB 0.000 30.047 30.300 -0.421 0.000 0.687 296 R HN 0.000 nan 8.270 nan 0.000 0.535