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 2exk_1_C DATA FIRST_RESID 3 DATA SEQUENCE KIKNPILTGF HPDPSICRVG DDYYIAVSTF EWFPGVRIYH SKDLKNWRLV DATA SEQUENCE ARPLNRLSQL NMIGNPDSGG VWAPHLSYSD GKFWLIYTDV KVVEGQWKDG DATA SEQUENCE HNYLVTCDTI DGAWSDPIYL NSSGFDPSLF HDEDGRKYLV NMYWDHRVDH DATA SEQUENCE HPFYGIVLQE YSVEQKKLVG EPKIIFKGTD LRITGGPHLY KINGYYYLLT DATA SEQUENCE AEGGTRYNHA ATIARSTSLY GPYEVHPDNP LLTSWPYPRN PLQKAGHASI DATA SEQUENCE VHTHTDEWFL VHLTGRPLPR EGQPLLEHRG YCPLGRETAI QRLEWKDGWP DATA SEQUENCE YVVGGNGPSL EIDGPSVEEV SWEKDYDEKD DFDGDTLNHH FQTLRIPLGE DATA SEQUENCE DIATLKARPG HLRLYGRESL TSRFTQAFVA RRWQHFHFVA ETKVSFRPTT DATA SEQUENCE FQQSAGLVNY YNTQNWTTLQ ITWHEEKGRI LELMTCDHLV VDQPLRGREI DATA SEQUENCE VVPDDIEYVY LRVTVQATTY KYSYSFDGMN WIDLPVTFES YKLSDDYIKS DATA SEQUENCE RAAFTGAFVG MHCRDGSGQN NYADFDYFLY KEL 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 3 K HA 0.000 nan 4.320 nan 0.000 0.191 3 K C 0.000 176.613 176.600 0.021 0.000 0.988 3 K CA 0.000 56.299 56.287 0.020 0.000 0.838 3 K CB 0.000 32.515 32.500 0.025 0.000 1.064 4 I N 3.533 124.120 120.570 0.030 0.000 2.322 4 I HA 0.183 4.353 4.170 0.000 0.000 0.292 4 I C -0.358 175.789 176.117 0.051 0.000 1.060 4 I CA -0.161 61.160 61.300 0.036 0.000 1.309 4 I CB 1.092 39.110 38.000 0.029 0.000 1.415 4 I HN 0.229 nan 8.210 nan 0.000 0.492 5 K N 6.077 126.507 120.400 0.050 0.000 2.185 5 K HA 0.314 4.634 4.320 0.000 0.000 0.269 5 K C -0.416 176.213 176.600 0.048 0.000 0.987 5 K CA -0.651 55.668 56.287 0.053 0.000 0.865 5 K CB 0.856 33.389 32.500 0.055 0.000 1.090 5 K HN 0.463 nan 8.250 nan 0.000 0.450 6 N N 4.174 122.903 118.700 0.048 0.000 2.524 6 N HA 0.334 5.075 4.740 0.000 0.000 0.283 6 N C -2.462 173.071 175.510 0.039 0.000 1.142 6 N CA -1.358 51.708 53.050 0.026 0.000 0.984 6 N CB 1.084 39.593 38.487 0.037 0.000 1.155 6 N HN 0.489 nan 8.380 nan 0.000 0.467 7 P HA 0.250 nan 4.420 nan 0.000 0.281 7 P C 0.875 178.113 177.300 -0.103 0.000 1.249 7 P CA -0.418 62.641 63.100 -0.069 0.000 0.810 7 P CB 0.999 32.649 31.700 -0.083 0.000 1.008 8 I N -0.954 119.510 120.570 -0.177 0.000 2.584 8 I HA 0.102 4.272 4.170 0.000 0.000 0.255 8 I C 0.525 176.435 176.117 -0.346 0.000 1.145 8 I CA 0.845 62.034 61.300 -0.186 0.000 1.462 8 I CB -0.354 37.523 38.000 -0.204 0.000 1.102 8 I HN 0.052 nan 8.210 nan 0.000 0.433 9 L N 3.694 124.605 121.223 -0.520 0.000 2.313 9 L HA 0.366 4.707 4.340 0.000 0.000 0.273 9 L C 0.303 176.889 176.870 -0.474 0.000 1.028 9 L CA -0.589 53.790 54.840 -0.769 0.000 0.871 9 L CB 1.156 42.437 42.059 -1.297 0.000 1.242 9 L HN 0.242 nan 8.230 nan 0.000 0.434 10 T N -0.170 114.183 114.554 -0.336 0.000 2.828 10 T HA 0.647 4.997 4.350 0.000 0.000 0.290 10 T C 0.713 175.348 174.700 -0.108 0.000 1.019 10 T CA 0.341 62.309 62.100 -0.219 0.000 1.031 10 T CB 1.702 70.394 68.868 -0.293 0.000 1.001 10 T HN 0.903 nan 8.240 nan 0.000 0.531 11 G N 1.192 109.922 108.800 -0.116 0.000 2.877 11 G HA2 -0.132 3.828 3.960 0.000 0.000 0.279 11 G HA3 -0.132 3.828 3.960 0.000 0.000 0.279 11 G C -0.323 174.591 174.900 0.023 0.000 1.431 11 G CA -0.358 44.692 45.100 -0.084 0.000 0.883 11 G HN 1.601 nan 8.290 nan 0.000 0.547 12 F N 2.200 121.991 119.950 -0.265 0.000 2.327 12 F HA 0.278 4.805 4.527 0.000 0.000 0.340 12 F C 0.750 176.251 175.800 -0.498 0.000 1.125 12 F CA 0.499 58.337 58.000 -0.270 0.000 0.910 12 F CB -0.898 37.964 39.000 -0.230 0.000 0.934 12 F HN 0.529 nan 8.300 nan 0.000 0.548 13 H N 5.102 124.097 119.070 -0.124 0.000 2.600 13 H HA 0.316 4.872 4.556 0.000 0.000 0.224 13 H C -2.618 172.653 175.328 -0.095 0.000 1.413 13 H CA -1.385 54.507 56.048 -0.260 0.000 1.401 13 H CB 0.510 30.079 29.762 -0.322 0.000 1.772 13 H HN 0.311 nan 8.280 nan 0.000 0.528 14 P HA 0.171 nan 4.420 nan 0.000 0.280 14 P C -0.362 176.991 177.300 0.089 0.000 1.272 14 P CA -0.471 62.712 63.100 0.138 0.000 0.819 14 P CB 0.877 32.725 31.700 0.245 0.000 1.122 15 D N -1.970 118.471 120.400 0.067 0.000 2.812 15 D HA -0.105 4.535 4.640 0.000 0.000 0.237 15 D C -2.148 174.288 176.300 0.227 0.000 1.162 15 D CA 0.353 54.407 54.000 0.089 0.000 0.740 15 D CB -1.554 39.182 40.800 -0.107 0.000 1.000 15 D HN 0.327 nan 8.370 nan 0.000 0.416 16 P HA 0.140 nan 4.420 nan 0.000 0.282 16 P C -0.339 177.090 177.300 0.216 0.000 1.274 16 P CA -0.128 63.053 63.100 0.135 0.000 0.770 16 P CB 1.485 33.193 31.700 0.014 0.000 0.867 17 S N 4.134 119.957 115.700 0.205 0.000 2.448 17 S HA 0.437 4.907 4.470 0.000 0.000 0.320 17 S C -0.123 174.598 174.600 0.201 0.000 1.071 17 S CA -0.797 57.533 58.200 0.218 0.000 1.113 17 S CB -0.445 62.910 63.200 0.258 0.000 0.972 17 S HN 0.409 nan 8.310 nan 0.000 0.465 18 I N 4.640 125.341 120.570 0.218 0.000 2.440 18 I HA 0.538 4.708 4.170 0.000 0.000 0.294 18 I C -0.602 175.726 176.117 0.352 0.000 0.995 18 I CA -0.327 61.144 61.300 0.285 0.000 1.306 18 I CB 0.882 39.045 38.000 0.270 0.000 1.407 18 I HN 0.691 nan 8.210 nan 0.000 0.501 19 C N 8.026 127.595 119.300 0.447 0.000 2.446 19 C HA 0.483 4.943 4.460 0.000 0.000 0.329 19 C C -0.209 175.085 174.990 0.508 0.000 1.166 19 C CA -0.710 58.588 59.018 0.465 0.000 1.341 19 C CB 0.922 28.955 27.740 0.488 0.000 1.970 19 C HN 0.926 nan 8.230 nan 0.000 0.452 20 R N 4.249 124.989 120.500 0.401 0.000 2.340 20 R HA 0.632 4.973 4.340 0.000 0.000 0.300 20 R C -1.287 175.047 176.300 0.056 0.000 1.069 20 R CA -0.087 56.134 56.100 0.202 0.000 0.984 20 R CB 0.736 31.187 30.300 0.251 0.000 1.003 20 R HN 0.618 nan 8.270 nan 0.000 0.459 21 V N 6.358 126.208 119.914 -0.108 0.000 2.305 21 V HA 0.326 4.446 4.120 0.000 0.000 0.275 21 V C 1.139 177.067 176.094 -0.276 0.000 1.020 21 V CA 0.223 62.374 62.300 -0.247 0.000 0.811 21 V CB 0.529 32.173 31.823 -0.298 0.000 1.031 21 V HN 1.182 nan 8.190 nan 0.000 0.439 22 G N 4.898 113.566 108.800 -0.220 0.000 3.434 22 G HA2 -0.381 3.579 3.960 0.000 0.000 0.343 22 G HA3 -0.381 3.579 3.960 0.000 0.000 0.343 22 G C 0.680 175.398 174.900 -0.305 0.000 1.240 22 G CA 1.051 46.029 45.100 -0.205 0.000 0.996 22 G HN 0.927 nan 8.290 nan 0.000 0.650 23 D N 0.748 120.892 120.400 -0.427 0.000 2.527 23 D HA 0.222 4.862 4.640 0.000 0.000 0.224 23 D C -0.429 175.547 176.300 -0.540 0.000 1.217 23 D CA 0.174 53.829 54.000 -0.574 0.000 0.819 23 D CB 0.053 40.359 40.800 -0.823 0.000 1.061 23 D HN 0.356 nan 8.370 nan 0.000 0.515 24 D N 0.616 120.705 120.400 -0.520 0.000 2.210 24 D HA 0.260 4.900 4.640 0.000 0.000 0.249 24 D C -0.678 175.159 176.300 -0.770 0.000 1.062 24 D CA 0.026 53.787 54.000 -0.399 0.000 0.891 24 D CB 1.014 41.774 40.800 -0.066 0.000 1.186 24 D HN 0.093 nan 8.370 nan 0.000 0.432 25 Y N 0.769 120.892 120.300 -0.294 0.000 2.373 25 Y HA 0.347 4.897 4.550 0.000 0.000 0.336 25 Y C -0.704 175.089 175.900 -0.178 0.000 0.979 25 Y CA -0.919 57.103 58.100 -0.131 0.000 1.080 25 Y CB 1.304 39.741 38.460 -0.038 0.000 1.190 25 Y HN 0.213 nan 8.280 nan 0.000 0.446 26 Y N 3.296 123.923 120.300 0.545 0.000 2.409 26 Y HA 0.659 5.209 4.550 0.000 0.000 0.343 26 Y C -0.447 175.713 175.900 0.434 0.000 0.973 26 Y CA -1.080 57.323 58.100 0.506 0.000 1.064 26 Y CB 1.702 40.387 38.460 0.375 0.000 1.207 26 Y HN 0.395 nan 8.280 nan 0.000 0.452 27 I N 3.197 124.059 120.570 0.487 0.000 2.382 27 I HA 0.595 4.765 4.170 0.000 0.000 0.286 27 I C -0.324 175.922 176.117 0.215 0.000 1.002 27 I CA -0.831 60.590 61.300 0.203 0.000 1.135 27 I CB 1.384 39.266 38.000 -0.196 0.000 1.288 27 I HN 0.717 nan 8.210 nan 0.000 0.448 28 A N 6.783 129.709 122.820 0.178 0.000 2.310 28 A HA 0.814 5.134 4.320 0.000 0.000 0.299 28 A C -0.294 177.350 177.584 0.099 0.000 1.147 28 A CA -0.411 51.698 52.037 0.121 0.000 0.818 28 A CB 1.033 20.087 19.000 0.091 0.000 1.096 28 A HN 0.603 nan 8.150 nan 0.000 0.495 29 V N -0.040 119.912 119.914 0.064 0.000 3.040 29 V HA 0.827 4.947 4.120 0.000 0.000 0.312 29 V C 0.042 176.118 176.094 -0.031 0.000 1.115 29 V CA -0.421 61.897 62.300 0.029 0.000 0.998 29 V CB 1.362 33.194 31.823 0.015 0.000 1.042 29 V HN 1.169 nan 8.190 nan 0.000 0.433 30 S N 0.905 116.586 115.700 -0.031 0.000 2.565 30 S HA 0.467 4.937 4.470 0.000 0.000 0.276 30 S C 0.751 175.334 174.600 -0.028 0.000 1.326 30 S CA 0.238 58.373 58.200 -0.108 0.000 1.045 30 S CB 0.973 64.015 63.200 -0.263 0.000 0.918 30 S HN 1.436 nan 8.310 nan 0.000 0.505 31 T N -1.528 113.036 114.554 0.017 0.000 3.004 31 T HA 0.338 4.688 4.350 0.000 0.000 0.266 31 T C 0.495 175.594 174.700 0.664 0.000 0.986 31 T CA -0.358 61.940 62.100 0.330 0.000 0.902 31 T CB -0.850 68.092 68.868 0.123 0.000 1.118 31 T HN 0.540 nan 8.240 nan 0.000 0.522 32 F N 2.667 122.837 119.950 0.367 0.000 2.512 32 F HA -0.355 4.172 4.527 0.000 0.000 0.290 32 F C 1.900 177.827 175.800 0.212 0.000 1.459 32 F CA 1.905 60.091 58.000 0.309 0.000 1.366 32 F CB -1.100 38.060 39.000 0.265 0.000 3.242 32 F HN 0.315 nan 8.300 nan 0.000 0.190 33 E N 0.665 121.046 120.200 0.301 0.000 2.482 33 E HA -0.081 4.269 4.350 0.000 0.000 0.196 33 E C 0.030 176.576 176.600 -0.091 0.000 1.047 33 E CA 0.701 57.111 56.400 0.017 0.000 0.869 33 E CB -0.456 29.153 29.700 -0.152 0.000 0.836 33 E HN 0.506 nan 8.360 nan 0.000 0.520 34 W N 1.114 122.500 121.300 0.142 0.000 2.304 34 W HA 0.324 4.984 4.660 0.000 0.000 0.313 34 W C -0.112 176.480 176.519 0.122 0.000 1.323 34 W CA -0.692 56.709 57.345 0.094 0.000 1.223 34 W CB 0.308 29.835 29.460 0.112 0.000 1.237 34 W HN -0.116 nan 8.180 nan 0.000 0.535 35 F N 6.694 126.765 119.950 0.202 0.000 2.450 35 F HA 0.518 5.045 4.527 0.000 0.000 0.332 35 F C -1.692 174.172 175.800 0.107 0.000 1.093 35 F CA -2.907 55.151 58.000 0.096 0.000 1.003 35 F CB 1.084 40.096 39.000 0.020 0.000 1.151 35 F HN 0.094 nan 8.300 nan 0.000 0.474 36 P HA 0.239 nan 4.420 nan 0.000 0.276 36 P C -0.643 176.265 177.300 -0.654 0.000 1.252 36 P CA -0.319 62.015 63.100 -1.277 0.000 0.802 36 P CB 0.796 31.989 31.700 -0.845 0.000 1.035 37 G N -0.207 108.174 108.800 -0.698 0.000 2.444 37 G HA2 0.455 4.415 3.960 0.000 0.000 0.268 37 G HA3 0.455 4.415 3.960 0.000 0.000 0.268 37 G C -0.565 174.106 174.900 -0.380 0.000 1.203 37 G CA -0.438 44.421 45.100 -0.400 0.000 0.835 37 G HN 0.453 nan 8.290 nan 0.000 0.543 38 V N 0.244 119.998 119.914 -0.267 0.000 3.605 38 V HA -0.203 3.917 4.120 0.000 0.000 0.515 38 V C 0.117 176.072 176.094 -0.233 0.000 0.682 38 V CA 0.507 62.660 62.300 -0.244 0.000 2.069 38 V CB -0.581 31.050 31.823 -0.320 0.000 2.488 38 V HN 1.069 nan 8.190 nan 0.000 0.512 39 R N 3.709 124.120 120.500 -0.149 0.000 2.409 39 R HA 0.743 5.084 4.340 0.000 0.000 0.313 39 R C -0.615 175.654 176.300 -0.051 0.000 0.953 39 R CA -0.698 55.322 56.100 -0.134 0.000 0.849 39 R CB 1.708 31.985 30.300 -0.038 0.000 1.171 39 R HN 0.654 nan 8.270 nan 0.000 0.458 40 I N 3.326 123.804 120.570 -0.153 0.000 2.392 40 I HA 0.332 4.502 4.170 0.000 0.000 0.295 40 I C -0.595 175.460 176.117 -0.103 0.000 0.985 40 I CA -0.684 60.609 61.300 -0.012 0.000 1.221 40 I CB 0.901 38.887 38.000 -0.023 0.000 1.366 40 I HN 0.404 nan 8.210 nan 0.000 0.467 41 Y N 3.973 124.363 120.300 0.149 0.000 2.567 41 Y HA 0.499 5.049 4.550 0.000 0.000 0.333 41 Y C 0.070 176.237 175.900 0.445 0.000 1.106 41 Y CA -0.548 57.694 58.100 0.236 0.000 1.157 41 Y CB 1.364 39.937 38.460 0.187 0.000 1.277 41 Y HN 0.468 nan 8.280 nan 0.000 0.490 42 H N 0.275 119.556 119.070 0.353 0.000 2.806 42 H HA 0.657 5.213 4.556 0.000 0.000 0.367 42 H C -1.758 173.446 175.328 -0.206 0.000 1.136 42 H CA -0.375 55.652 56.048 -0.035 0.000 1.178 42 H CB 2.303 31.918 29.762 -0.246 0.000 1.718 42 H HN 0.630 nan 8.280 nan 0.000 0.540 43 S N 2.405 117.386 115.700 -1.199 0.000 2.550 43 S HA 0.336 4.806 4.470 0.000 0.000 0.270 43 S C -0.110 174.078 174.600 -0.686 0.000 1.145 43 S CA -0.709 56.826 58.200 -1.108 0.000 0.852 43 S CB 1.654 63.627 63.200 -2.046 0.000 1.119 43 S HN 0.730 nan 8.310 nan 0.000 0.465 44 K N 1.200 121.401 120.400 -0.333 0.000 2.350 44 K HA 0.135 4.455 4.320 0.000 0.000 0.196 44 K C 0.570 177.113 176.600 -0.095 0.000 1.084 44 K CA 0.703 56.943 56.287 -0.079 0.000 0.967 44 K CB -0.063 32.416 32.500 -0.036 0.000 0.950 44 K HN 0.775 nan 8.250 nan 0.000 0.512 45 D N 0.748 120.986 120.400 -0.270 0.000 2.360 45 D HA 0.038 4.678 4.640 0.000 0.000 0.210 45 D C 1.186 177.279 176.300 -0.345 0.000 1.047 45 D CA -0.069 53.773 54.000 -0.264 0.000 0.854 45 D CB 0.042 40.693 40.800 -0.249 0.000 0.936 45 D HN 0.083 nan 8.370 nan 0.000 0.514 46 L N -1.274 119.650 121.223 -0.498 0.000 5.279 46 L HA -0.374 3.966 4.340 0.000 0.000 0.428 46 L C 1.832 178.654 176.870 -0.080 0.000 0.974 46 L CA 1.684 56.305 54.840 -0.366 0.000 1.338 46 L CB -1.320 40.530 42.059 -0.349 0.000 1.740 46 L HN 0.204 nan 8.230 nan 0.000 0.657 47 K N 0.671 120.954 120.400 -0.195 0.000 2.044 47 K HA 0.052 4.372 4.320 0.000 0.000 0.204 47 K C 0.876 177.473 176.600 -0.005 0.000 1.045 47 K CA 0.811 57.078 56.287 -0.034 0.000 0.951 47 K CB 0.215 32.668 32.500 -0.077 0.000 0.738 47 K HN 0.272 nan 8.250 nan 0.000 0.443 48 N N 0.158 118.730 118.700 -0.213 0.000 2.438 48 N HA 0.098 4.838 4.740 0.000 0.000 0.282 48 N C -1.672 173.805 175.510 -0.054 0.000 1.037 48 N CA -0.246 52.788 53.050 -0.027 0.000 0.942 48 N CB 0.872 39.283 38.487 -0.127 0.000 1.136 48 N HN 0.089 nan 8.380 nan 0.000 0.481 49 W N 2.349 123.833 121.300 0.306 0.000 2.781 49 W HA 0.379 5.039 4.660 0.000 0.000 0.333 49 W C -0.046 176.598 176.519 0.208 0.000 1.047 49 W CA -0.933 56.536 57.345 0.207 0.000 1.236 49 W CB 1.218 30.701 29.460 0.037 0.000 1.394 49 W HN 0.335 nan 8.180 nan 0.000 0.466 50 R N 2.061 122.621 120.500 0.100 0.000 2.637 50 R HA 0.812 5.152 4.340 0.000 0.000 0.291 50 R C -1.077 175.189 176.300 -0.057 0.000 0.963 50 R CA -1.198 54.905 56.100 0.006 0.000 0.901 50 R CB 1.604 31.682 30.300 -0.369 0.000 1.160 50 R HN 0.501 nan 8.270 nan 0.000 0.457 51 L N 3.310 124.331 121.223 -0.337 0.000 2.455 51 L HA 0.087 4.427 4.340 0.000 0.000 0.272 51 L C 0.493 177.084 176.870 -0.464 0.000 1.174 51 L CA 0.368 54.698 54.840 -0.850 0.000 0.869 51 L CB 1.569 42.990 42.059 -1.063 0.000 1.130 51 L HN 0.818 nan 8.230 nan 0.000 0.474 52 V N 1.602 121.307 119.914 -0.348 0.000 3.473 52 V HA 0.715 4.835 4.120 0.000 0.000 0.253 52 V C 0.484 176.481 176.094 -0.160 0.000 1.340 52 V CA 0.428 62.616 62.300 -0.188 0.000 1.103 52 V CB -0.334 31.437 31.823 -0.087 0.000 0.881 52 V HN 0.911 nan 8.190 nan 0.000 0.451 53 A N 0.624 123.326 122.820 -0.197 0.000 2.488 53 A HA 0.864 5.184 4.320 0.000 0.000 0.298 53 A C -0.573 176.874 177.584 -0.228 0.000 1.044 53 A CA -0.771 51.175 52.037 -0.152 0.000 0.693 53 A CB 1.499 20.460 19.000 -0.066 0.000 1.272 53 A HN 0.326 nan 8.150 nan 0.000 0.402 54 R N 3.031 123.402 120.500 -0.215 0.000 2.587 54 R HA 0.281 4.621 4.340 0.000 0.000 0.283 54 R C -2.030 174.071 176.300 -0.331 0.000 1.472 54 R CA -1.619 54.316 56.100 -0.276 0.000 1.578 54 R CB 1.216 31.377 30.300 -0.232 0.000 1.130 54 R HN 0.534 nan 8.270 nan 0.000 0.602 55 P HA -0.178 nan 4.420 nan 0.000 0.216 55 P C 0.119 177.085 177.300 -0.556 0.000 1.150 55 P CA 1.168 63.813 63.100 -0.758 0.000 0.837 55 P CB 0.314 31.047 31.700 -1.613 0.000 0.786 56 L N 1.328 122.213 121.223 -0.564 0.000 2.352 56 L HA 0.239 4.579 4.340 0.000 0.000 0.272 56 L C 0.774 177.362 176.870 -0.470 0.000 1.109 56 L CA -0.300 54.245 54.840 -0.493 0.000 0.952 56 L CB -0.410 41.272 42.059 -0.628 0.000 1.314 56 L HN 0.008 nan 8.230 nan 0.000 0.427 57 N N 0.511 119.061 118.700 -0.249 0.000 2.143 57 N HA 0.097 4.837 4.740 0.000 0.000 0.222 57 N C 0.223 175.849 175.510 0.194 0.000 1.264 57 N CA -0.430 52.537 53.050 -0.138 0.000 0.897 57 N CB 0.556 38.977 38.487 -0.110 0.000 1.092 57 N HN 0.298 nan 8.380 nan 0.000 0.516 58 R N 0.117 120.706 120.500 0.148 0.000 2.604 58 R HA 0.423 4.763 4.340 0.000 0.000 0.287 58 R C 0.800 177.205 176.300 0.176 0.000 0.970 58 R CA -0.744 55.448 56.100 0.153 0.000 0.946 58 R CB 1.749 32.095 30.300 0.076 0.000 1.127 58 R HN -0.000 nan 8.270 nan 0.000 0.473 59 L N 0.908 122.190 121.223 0.099 0.000 2.261 59 L HA -0.202 4.138 4.340 0.000 0.000 0.216 59 L C 1.727 178.615 176.870 0.031 0.000 1.114 59 L CA 1.291 56.154 54.840 0.037 0.000 0.777 59 L CB -0.226 41.814 42.059 -0.031 0.000 0.910 59 L HN 0.703 nan 8.230 nan 0.000 0.440 60 S N -0.603 115.117 115.700 0.033 0.000 2.402 60 S HA -0.197 4.273 4.470 0.000 0.000 0.229 60 S C 1.808 176.414 174.600 0.011 0.000 1.021 60 S CA 1.099 59.310 58.200 0.019 0.000 0.974 60 S CB -0.134 63.084 63.200 0.030 0.000 0.800 60 S HN 0.553 nan 8.310 nan 0.000 0.484 61 Q N -0.480 119.335 119.800 0.025 0.000 2.297 61 Q HA 0.342 4.682 4.340 0.000 0.000 0.203 61 Q C -0.378 175.619 176.000 -0.004 0.000 0.931 61 Q CA 0.417 56.227 55.803 0.013 0.000 0.885 61 Q CB 0.306 29.029 28.738 -0.025 0.000 0.991 61 Q HN 0.272 nan 8.270 nan 0.000 0.498 62 L N 1.481 122.730 121.223 0.043 0.000 2.620 62 L HA 0.373 4.713 4.340 0.000 0.000 0.261 62 L C -1.840 175.120 176.870 0.149 0.000 0.978 62 L CA -0.314 54.585 54.840 0.098 0.000 0.897 62 L CB 1.731 43.841 42.059 0.085 0.000 1.207 62 L HN -0.102 nan 8.230 nan 0.000 0.425 63 N N 5.199 123.933 118.700 0.056 0.000 2.707 63 N HA 0.383 5.123 4.740 0.000 0.000 0.235 63 N C -0.126 175.388 175.510 0.007 0.000 1.028 63 N CA -0.180 52.876 53.050 0.010 0.000 0.906 63 N CB 0.767 39.244 38.487 -0.016 0.000 1.131 63 N HN 0.683 nan 8.380 nan 0.000 0.509 64 M N 2.219 121.819 119.600 -0.001 0.000 2.356 64 M HA 0.273 4.753 4.480 0.000 0.000 0.262 64 M C 0.661 176.902 176.300 -0.098 0.000 1.097 64 M CA -0.431 54.863 55.300 -0.010 0.000 0.991 64 M CB 0.560 33.191 32.600 0.050 0.000 1.450 64 M HN 0.383 nan 8.290 nan 0.000 0.495 65 I N 1.281 121.775 120.570 -0.127 0.000 2.845 65 I HA -0.056 4.114 4.170 0.000 0.000 0.296 65 I C 1.314 177.233 176.117 -0.329 0.000 1.216 65 I CA 1.467 62.644 61.300 -0.204 0.000 1.438 65 I CB 0.562 38.504 38.000 -0.096 0.000 1.342 65 I HN 0.680 nan 8.210 nan 0.000 0.577 66 G N 4.269 112.619 108.800 -0.749 0.000 2.212 66 G HA2 -0.326 3.634 3.960 0.000 0.000 0.266 66 G HA3 -0.326 3.634 3.960 0.000 0.000 0.266 66 G C 0.300 174.944 174.900 -0.426 0.000 0.978 66 G CA 0.229 44.742 45.100 -0.980 0.000 0.632 66 G HN 0.653 nan 8.290 nan 0.000 0.537 67 N N 2.310 120.851 118.700 -0.265 0.000 2.407 67 N HA 0.373 5.114 4.740 0.000 0.000 0.250 67 N C -1.660 173.793 175.510 -0.095 0.000 1.236 67 N CA -0.603 52.378 53.050 -0.115 0.000 0.879 67 N CB 0.809 39.270 38.487 -0.045 0.000 1.088 67 N HN 0.277 nan 8.380 nan 0.000 0.450 68 P HA 0.057 nan 4.420 nan 0.000 0.272 68 P C -0.738 176.576 177.300 0.023 0.000 1.230 68 P CA -0.231 62.871 63.100 0.003 0.000 0.788 68 P CB 0.592 32.320 31.700 0.046 0.000 0.949 69 D N 0.502 120.903 120.400 0.002 0.000 2.488 69 D HA -0.018 4.622 4.640 0.000 0.000 0.238 69 D C 0.799 177.126 176.300 0.044 0.000 1.138 69 D CA 0.845 54.837 54.000 -0.012 0.000 0.873 69 D CB -0.164 40.616 40.800 -0.034 0.000 1.183 69 D HN 0.294 nan 8.370 nan 0.000 0.458 70 S N -0.176 115.554 115.700 0.050 0.000 3.358 70 S HA -0.163 4.307 4.470 0.000 0.000 0.309 70 S C 0.916 175.865 174.600 0.581 0.000 1.247 70 S CA 0.810 59.099 58.200 0.148 0.000 0.961 70 S CB -1.143 61.979 63.200 -0.131 0.000 1.074 70 S HN 0.751 nan 8.310 nan 0.000 0.625 71 G N 0.155 109.231 108.800 0.459 0.000 2.546 71 G HA2 0.639 4.599 3.960 0.000 0.000 0.239 71 G HA3 0.639 4.599 3.960 0.000 0.000 0.239 71 G C 0.982 176.190 174.900 0.513 0.000 1.476 71 G CA 0.271 45.671 45.100 0.500 0.000 1.064 71 G HN 1.489 nan 8.290 nan 0.000 0.561 72 G N -1.787 107.178 108.800 0.276 0.000 2.561 72 G HA2 -0.197 3.763 3.960 0.000 0.000 0.289 72 G HA3 -0.197 3.763 3.960 0.000 0.000 0.289 72 G C 0.161 175.199 174.900 0.229 0.000 1.169 72 G CA 0.330 45.561 45.100 0.220 0.000 0.980 72 G HN 1.470 nan 8.290 nan 0.000 0.550 73 V N 1.755 121.758 119.914 0.148 0.000 2.370 73 V HA 0.388 4.508 4.120 0.000 0.000 0.257 73 V C 0.654 176.578 176.094 -0.283 0.000 1.064 73 V CA 0.009 62.329 62.300 0.034 0.000 0.975 73 V CB -0.165 31.651 31.823 -0.013 0.000 1.067 73 V HN 0.457 nan 8.190 nan 0.000 0.485 74 W N 2.389 123.428 121.300 -0.436 0.000 1.779 74 W HA 0.590 5.250 4.660 0.000 0.000 0.531 74 W C 0.977 177.319 176.519 -0.296 0.000 2.111 74 W CA -0.769 56.241 57.345 -0.558 0.000 2.396 74 W CB 0.049 29.374 29.460 -0.225 0.000 1.997 74 W HN 0.502 nan 8.180 nan 0.000 0.791 75 A N 3.954 126.851 122.820 0.128 0.000 2.573 75 A HA 0.192 4.512 4.320 0.000 0.000 0.250 75 A C -2.078 175.669 177.584 0.270 0.000 1.049 75 A CA -0.393 51.755 52.037 0.185 0.000 0.767 75 A CB -1.356 17.842 19.000 0.330 0.000 0.965 75 A HN 0.177 nan 8.150 nan 0.000 0.514 76 P HA 0.398 nan 4.420 nan 0.000 0.287 76 P C -1.148 176.375 177.300 0.372 0.000 1.279 76 P CA -0.320 62.941 63.100 0.270 0.000 0.867 76 P CB 1.304 33.091 31.700 0.146 0.000 1.127 77 H N 1.060 120.291 119.070 0.267 0.000 2.708 77 H HA 0.542 5.098 4.556 0.000 0.000 0.320 77 H C -1.451 174.052 175.328 0.292 0.000 0.991 77 H CA -0.699 55.522 56.048 0.290 0.000 1.243 77 H CB 0.394 30.338 29.762 0.303 0.000 1.446 77 H HN 0.142 nan 8.280 nan 0.000 0.502 78 L N 5.119 126.280 121.223 -0.103 0.000 2.272 78 L HA 0.552 4.892 4.340 0.000 0.000 0.289 78 L C -0.603 176.238 176.870 -0.048 0.000 1.032 78 L CA 0.052 54.919 54.840 0.045 0.000 0.810 78 L CB 0.765 42.935 42.059 0.186 0.000 1.205 78 L HN 0.815 nan 8.230 nan 0.000 0.422 79 S N 3.595 119.413 115.700 0.198 0.000 2.697 79 S HA 0.686 5.156 4.470 0.000 0.000 0.289 79 S C -1.331 173.579 174.600 0.516 0.000 1.149 79 S CA -0.704 57.688 58.200 0.319 0.000 0.850 79 S CB 1.575 64.982 63.200 0.345 0.000 1.151 79 S HN 0.501 nan 8.310 nan 0.000 0.491 80 Y N 0.326 120.733 120.300 0.177 0.000 2.386 80 Y HA 0.698 5.248 4.550 0.000 0.000 0.334 80 Y C -0.793 175.018 175.900 -0.148 0.000 1.002 80 Y CA -0.059 58.052 58.100 0.017 0.000 1.068 80 Y CB 1.940 40.266 38.460 -0.223 0.000 1.203 80 Y HN 1.047 nan 8.280 nan 0.000 0.443 81 S N 4.521 119.844 115.700 -0.629 0.000 2.548 81 S HA 0.378 4.848 4.470 0.000 0.000 0.278 81 S C -1.804 172.603 174.600 -0.321 0.000 1.150 81 S CA -0.539 57.305 58.200 -0.594 0.000 0.907 81 S CB 0.619 63.113 63.200 -1.177 0.000 1.108 81 S HN 0.825 nan 8.310 nan 0.000 0.459 82 D N 2.728 122.951 120.400 -0.296 0.000 2.699 82 D HA -0.140 4.500 4.640 0.000 0.000 0.239 82 D C 0.836 177.000 176.300 -0.226 0.000 1.136 82 D CA 1.933 55.841 54.000 -0.154 0.000 0.668 82 D CB -1.715 39.086 40.800 0.003 0.000 1.060 82 D HN 1.668 nan 8.370 nan 0.000 0.429 83 G N 0.064 108.618 108.800 -0.410 0.000 2.225 83 G HA2 -0.339 3.621 3.960 0.000 0.000 0.267 83 G HA3 -0.339 3.621 3.960 0.000 0.000 0.267 83 G C 0.125 174.831 174.900 -0.323 0.000 1.024 83 G CA 1.003 45.937 45.100 -0.276 0.000 0.784 83 G HN 0.831 nan 8.290 nan 0.000 0.507 84 K N -1.348 118.679 120.400 -0.621 0.000 2.527 84 K HA 0.703 5.023 4.320 0.000 0.000 0.260 84 K C -0.683 175.652 176.600 -0.442 0.000 0.937 84 K CA -1.388 54.624 56.287 -0.459 0.000 0.826 84 K CB 1.427 33.598 32.500 -0.549 0.000 1.359 84 K HN -0.070 nan 8.250 nan 0.000 0.434 85 F N 0.938 120.807 119.950 -0.136 0.000 2.410 85 F HA 0.307 4.834 4.527 0.000 0.000 0.334 85 F C -0.380 175.405 175.800 -0.025 0.000 1.134 85 F CA 0.531 58.588 58.000 0.095 0.000 1.227 85 F CB 0.643 39.633 39.000 -0.017 0.000 1.194 85 F HN 0.417 nan 8.300 nan 0.000 0.571 86 W N 4.786 126.373 121.300 0.479 0.000 2.647 86 W HA 0.544 5.204 4.660 0.000 0.000 0.328 86 W C -1.544 175.226 176.519 0.418 0.000 1.018 86 W CA -0.657 56.937 57.345 0.416 0.000 1.245 86 W CB 1.287 30.950 29.460 0.339 0.000 1.356 86 W HN 0.119 nan 8.180 nan 0.000 0.443 87 L N 6.022 127.600 121.223 0.591 0.000 2.294 87 L HA 0.588 4.928 4.340 0.000 0.000 0.283 87 L C -0.863 176.247 176.870 0.400 0.000 1.015 87 L CA -0.635 54.411 54.840 0.343 0.000 0.831 87 L CB 0.295 42.319 42.059 -0.059 0.000 1.217 87 L HN 0.203 nan 8.230 nan 0.000 0.420 88 I N 6.373 127.176 120.570 0.388 0.000 2.331 88 I HA 0.356 4.526 4.170 0.000 0.000 0.292 88 I C -0.358 175.986 176.117 0.380 0.000 0.998 88 I CA -0.467 61.038 61.300 0.341 0.000 1.267 88 I CB 0.460 38.640 38.000 0.301 0.000 1.386 88 I HN 0.670 nan 8.210 nan 0.000 0.476 89 Y N 2.712 123.118 120.300 0.176 0.000 2.615 89 Y HA 0.776 5.326 4.550 0.000 0.000 0.341 89 Y C -0.590 175.436 175.900 0.210 0.000 1.089 89 Y CA -1.018 57.179 58.100 0.162 0.000 1.049 89 Y CB 1.290 39.804 38.460 0.091 0.000 1.296 89 Y HN 0.416 nan 8.280 nan 0.000 0.470 90 T N 1.331 116.039 114.554 0.255 0.000 2.918 90 T HA 0.313 4.663 4.350 0.000 0.000 0.286 90 T C -1.616 173.245 174.700 0.268 0.000 1.026 90 T CA -0.573 61.624 62.100 0.161 0.000 1.031 90 T CB 1.430 70.337 68.868 0.065 0.000 1.046 90 T HN 0.653 nan 8.240 nan 0.000 0.479 91 D N 1.911 122.481 120.400 0.283 0.000 2.461 91 D HA 0.372 5.012 4.640 0.000 0.000 0.240 91 D C -0.880 175.463 176.300 0.072 0.000 1.094 91 D CA -0.475 53.666 54.000 0.235 0.000 0.868 91 D CB 0.761 41.756 40.800 0.324 0.000 1.062 91 D HN 0.173 nan 8.370 nan 0.000 0.530 92 V N 5.848 125.711 119.914 -0.085 0.000 2.406 92 V HA 0.218 4.338 4.120 0.000 0.000 0.272 92 V C 1.257 177.281 176.094 -0.116 0.000 1.043 92 V CA -0.415 61.712 62.300 -0.288 0.000 0.915 92 V CB 1.489 32.826 31.823 -0.811 0.000 0.988 92 V HN 0.420 nan 8.190 nan 0.000 0.466 93 K N 3.203 123.532 120.400 -0.120 0.000 2.308 93 K HA 0.255 4.575 4.320 0.000 0.000 0.197 93 K C 0.046 176.615 176.600 -0.051 0.000 1.049 93 K CA 0.626 56.884 56.287 -0.047 0.000 0.991 93 K CB 0.832 33.321 32.500 -0.018 0.000 0.836 93 K HN 0.446 nan 8.250 nan 0.000 0.500 94 V N 2.208 122.060 119.914 -0.103 0.000 2.483 94 V HA 0.161 4.281 4.120 0.000 0.000 0.297 94 V C 0.400 176.462 176.094 -0.055 0.000 1.027 94 V CA -0.631 61.636 62.300 -0.054 0.000 0.855 94 V CB 1.899 33.693 31.823 -0.048 0.000 0.995 94 V HN 0.018 nan 8.190 nan 0.000 0.424 95 V N 0.832 120.779 119.914 0.054 0.000 3.253 95 V HA 0.572 4.692 4.120 0.000 0.000 0.320 95 V C 0.178 176.367 176.094 0.159 0.000 1.442 95 V CA 0.185 62.578 62.300 0.155 0.000 1.097 95 V CB 0.020 32.023 31.823 0.299 0.000 1.008 95 V HN 0.798 nan 8.190 nan 0.000 0.463 96 E N 0.066 120.344 120.200 0.129 0.000 2.343 96 E HA 0.629 4.979 4.350 0.000 0.000 0.278 96 E C 0.083 176.790 176.600 0.178 0.000 0.910 96 E CA -0.083 56.405 56.400 0.146 0.000 0.757 96 E CB 2.308 32.074 29.700 0.110 0.000 1.218 96 E HN 0.613 nan 8.360 nan 0.000 0.435 97 G N 1.502 110.421 108.800 0.199 0.000 2.472 97 G HA2 -0.231 3.729 3.960 0.000 0.000 0.205 97 G HA3 -0.231 3.729 3.960 0.000 0.000 0.205 97 G C 0.241 175.289 174.900 0.246 0.000 1.270 97 G CA -0.484 44.750 45.100 0.223 0.000 0.974 97 G HN 0.430 nan 8.290 nan 0.000 0.542 98 Q N -0.705 119.193 119.800 0.164 0.000 2.378 98 Q HA 0.092 4.432 4.340 0.000 0.000 0.205 98 Q C 0.639 176.686 176.000 0.079 0.000 0.954 98 Q CA 0.990 56.743 55.803 -0.083 0.000 0.901 98 Q CB 0.261 28.621 28.738 -0.630 0.000 0.981 98 Q HN 0.515 nan 8.270 nan 0.000 0.483 99 W N 0.134 121.632 121.300 0.330 0.000 2.647 99 W HA 0.377 5.037 4.660 0.000 0.000 0.353 99 W C 0.411 176.715 176.519 -0.358 0.000 1.080 99 W CA -0.807 56.607 57.345 0.115 0.000 1.208 99 W CB 1.149 30.605 29.460 -0.006 0.000 1.396 99 W HN -0.251 nan 8.180 nan 0.000 0.573 100 K N 1.465 121.461 120.400 -0.673 0.000 3.278 100 K HA 0.129 4.449 4.320 0.000 0.000 0.200 100 K C -0.837 175.437 176.600 -0.544 0.000 1.107 100 K CA -0.167 55.652 56.287 -0.780 0.000 0.923 100 K CB -0.427 31.249 32.500 -1.374 0.000 0.787 100 K HN 0.131 nan 8.250 nan 0.000 0.481 101 D N 0.887 121.095 120.400 -0.320 0.000 2.658 101 D HA 0.233 4.873 4.640 0.000 0.000 0.230 101 D C 0.428 176.488 176.300 -0.399 0.000 1.118 101 D CA 1.237 55.048 54.000 -0.314 0.000 0.848 101 D CB 0.866 41.539 40.800 -0.212 0.000 1.160 101 D HN 0.495 nan 8.370 nan 0.000 0.497 102 G N 1.528 109.990 108.800 -0.564 0.000 2.556 102 G HA2 0.356 4.316 3.960 0.000 0.000 0.294 102 G HA3 0.356 4.316 3.960 0.000 0.000 0.294 102 G C -1.691 172.821 174.900 -0.647 0.000 1.516 102 G CA -0.849 43.936 45.100 -0.526 0.000 0.824 102 G HN 0.453 nan 8.290 nan 0.000 0.535 103 H N 1.029 120.061 119.070 -0.063 0.000 2.600 103 H HA 0.435 4.991 4.556 0.000 0.000 0.357 103 H C -0.640 174.491 175.328 -0.329 0.000 1.106 103 H CA -0.824 55.143 56.048 -0.135 0.000 1.193 103 H CB 2.247 31.972 29.762 -0.063 0.000 1.594 103 H HN 0.346 nan 8.280 nan 0.000 0.526 104 N N 2.394 120.868 118.700 -0.378 0.000 2.426 104 N HA 0.218 4.958 4.740 0.000 0.000 0.275 104 N C -0.844 174.270 175.510 -0.660 0.000 1.019 104 N CA -0.180 52.631 53.050 -0.397 0.000 0.941 104 N CB 1.229 39.556 38.487 -0.268 0.000 1.123 104 N HN 0.450 nan 8.380 nan 0.000 0.486 105 Y N 0.331 120.395 120.300 -0.393 0.000 2.570 105 Y HA 0.561 5.111 4.550 0.000 0.000 0.345 105 Y C -0.239 175.479 175.900 -0.304 0.000 1.014 105 Y CA -1.233 56.610 58.100 -0.428 0.000 1.063 105 Y CB 1.680 39.694 38.460 -0.742 0.000 1.272 105 Y HN 0.274 nan 8.280 nan 0.000 0.477 106 L N 3.350 124.625 121.223 0.086 0.000 2.356 106 L HA 0.863 5.203 4.340 0.000 0.000 0.277 106 L C -1.223 175.827 176.870 0.300 0.000 0.996 106 L CA -0.880 54.070 54.840 0.183 0.000 0.822 106 L CB 1.523 43.623 42.059 0.070 0.000 1.256 106 L HN 0.458 nan 8.230 nan 0.000 0.413 107 V N 1.254 121.404 119.914 0.393 0.000 2.823 107 V HA 0.970 5.090 4.120 0.000 0.000 0.312 107 V C -0.226 176.125 176.094 0.429 0.000 1.072 107 V CA 0.088 62.615 62.300 0.379 0.000 0.937 107 V CB 1.556 33.612 31.823 0.388 0.000 1.013 107 V HN 0.959 nan 8.190 nan 0.000 0.430 108 T N -0.004 114.713 114.554 0.271 0.000 2.924 108 T HA 0.791 5.141 4.350 0.000 0.000 0.291 108 T C -0.690 173.882 174.700 -0.213 0.000 1.045 108 T CA -0.665 61.434 62.100 -0.001 0.000 1.015 108 T CB 1.625 70.251 68.868 -0.404 0.000 1.103 108 T HN 1.396 nan 8.240 nan 0.000 0.496 109 C N 1.386 120.309 119.300 -0.628 0.000 2.891 109 C HA 0.471 4.931 4.460 0.000 0.000 0.342 109 C C 0.738 175.451 174.990 -0.461 0.000 1.126 109 C CA -0.471 58.055 59.018 -0.820 0.000 1.322 109 C CB 0.780 27.379 27.740 -1.902 0.000 1.763 109 C HN 1.064 nan 8.230 nan 0.000 0.491 110 D N 1.356 121.566 120.400 -0.317 0.000 2.144 110 D HA -0.003 4.637 4.640 0.000 0.000 0.199 110 D C 1.343 177.613 176.300 -0.051 0.000 0.984 110 D CA 1.950 55.853 54.000 -0.160 0.000 0.834 110 D CB 0.188 40.904 40.800 -0.139 0.000 0.955 110 D HN 0.837 nan 8.370 nan 0.000 0.465 111 T N -2.508 111.960 114.554 -0.142 0.000 2.919 111 T HA 0.356 4.706 4.350 0.000 0.000 0.282 111 T C 1.020 175.524 174.700 -0.328 0.000 1.020 111 T CA -0.874 61.184 62.100 -0.070 0.000 0.994 111 T CB 1.393 70.193 68.868 -0.114 0.000 1.180 111 T HN -0.160 nan 8.240 nan 0.000 0.566 112 I N 0.931 121.247 120.570 -0.424 0.000 2.406 112 I HA 0.029 4.199 4.170 0.000 0.000 0.249 112 I C 1.044 177.037 176.117 -0.206 0.000 1.122 112 I CA 1.339 62.205 61.300 -0.724 0.000 1.431 112 I CB -0.200 37.310 38.000 -0.816 0.000 1.087 112 I HN 0.819 nan 8.210 nan 0.000 0.424 113 D N -0.849 119.458 120.400 -0.155 0.000 2.501 113 D HA 0.249 4.890 4.640 0.000 0.000 0.226 113 D C 0.840 177.113 176.300 -0.045 0.000 1.198 113 D CA -0.025 53.954 54.000 -0.036 0.000 0.830 113 D CB -0.673 40.090 40.800 -0.061 0.000 1.014 113 D HN 0.245 nan 8.370 nan 0.000 0.496 114 G N -0.049 108.661 108.800 -0.149 0.000 2.531 114 G HA2 0.500 4.460 3.960 0.000 0.000 0.281 114 G HA3 0.500 4.460 3.960 0.000 0.000 0.281 114 G C -0.344 174.511 174.900 -0.075 0.000 1.382 114 G CA -0.621 44.395 45.100 -0.142 0.000 1.045 114 G HN 0.267 nan 8.290 nan 0.000 0.533 115 A N -0.548 122.229 122.820 -0.071 0.000 2.671 115 A HA 0.463 4.783 4.320 0.000 0.000 0.306 115 A C -0.490 177.089 177.584 -0.009 0.000 1.473 115 A CA -0.598 51.445 52.037 0.010 0.000 1.155 115 A CB -0.684 18.317 19.000 0.002 0.000 1.123 115 A HN 0.419 nan 8.150 nan 0.000 0.545 116 W N 2.345 123.606 121.300 -0.066 0.000 2.209 116 W HA 0.246 4.906 4.660 0.000 0.000 0.344 116 W C 1.270 177.768 176.519 -0.034 0.000 1.285 116 W CA 0.926 58.236 57.345 -0.058 0.000 1.267 116 W CB 0.450 29.864 29.460 -0.076 0.000 1.167 116 W HN 0.800 nan 8.180 nan 0.000 0.574 117 S N 1.351 117.163 115.700 0.187 0.000 2.596 117 S HA 0.066 4.536 4.470 0.000 0.000 0.260 117 S C -0.015 174.673 174.600 0.147 0.000 1.336 117 S CA -0.900 57.371 58.200 0.119 0.000 0.993 117 S CB 0.586 63.834 63.200 0.081 0.000 0.923 117 S HN 0.415 nan 8.310 nan 0.000 0.567 118 D N 2.487 122.953 120.400 0.110 0.000 2.382 118 D HA 0.303 4.943 4.640 0.000 0.000 0.240 118 D C -2.020 174.373 176.300 0.155 0.000 1.146 118 D CA -0.935 53.133 54.000 0.113 0.000 0.897 118 D CB 0.282 41.132 40.800 0.083 0.000 1.197 118 D HN 0.410 nan 8.370 nan 0.000 0.432 119 P HA 0.235 nan 4.420 nan 0.000 0.275 119 P C -0.391 177.066 177.300 0.262 0.000 1.227 119 P CA -0.217 63.028 63.100 0.241 0.000 0.781 119 P CB 0.753 32.562 31.700 0.180 0.000 0.906 120 I N 3.140 123.874 120.570 0.274 0.000 2.321 120 I HA 0.188 4.358 4.170 0.000 0.000 0.291 120 I C 0.309 176.585 176.117 0.266 0.000 0.998 120 I CA -0.978 60.480 61.300 0.262 0.000 1.227 120 I CB 0.613 38.760 38.000 0.246 0.000 1.368 120 I HN 0.317 nan 8.210 nan 0.000 0.466 121 Y N 6.922 127.307 120.300 0.141 0.000 2.402 121 Y HA 0.291 4.841 4.550 0.000 0.000 0.333 121 Y C 0.040 175.918 175.900 -0.037 0.000 1.076 121 Y CA 0.034 58.120 58.100 -0.024 0.000 1.299 121 Y CB 0.710 39.156 38.460 -0.024 0.000 1.197 121 Y HN 0.520 nan 8.280 nan 0.000 0.517 122 L N 3.917 124.619 121.223 -0.868 0.000 2.546 122 L HA 0.240 4.580 4.340 0.000 0.000 0.185 122 L C 0.042 176.404 176.870 -0.848 0.000 1.247 122 L CA 0.074 54.544 54.840 -0.617 0.000 0.848 122 L CB -0.230 41.592 42.059 -0.395 0.000 1.133 122 L HN 0.708 nan 8.230 nan 0.000 0.504 123 N N -2.826 115.360 118.700 -0.856 0.000 3.344 123 N HA 0.203 4.943 4.740 0.000 0.000 0.296 123 N C -0.609 174.711 175.510 -0.317 0.000 1.571 123 N CA -0.499 52.239 53.050 -0.521 0.000 0.844 123 N CB 1.514 39.871 38.487 -0.215 0.000 1.718 123 N HN -0.149 nan 8.380 nan 0.000 0.589 124 S N -1.248 114.393 115.700 -0.098 0.000 2.893 124 S HA 0.088 4.559 4.470 0.000 0.000 0.258 124 S C 0.813 175.302 174.600 -0.185 0.000 1.034 124 S CA 0.106 58.243 58.200 -0.105 0.000 1.167 124 S CB -0.298 62.909 63.200 0.012 0.000 1.137 124 S HN 0.681 nan 8.310 nan 0.000 0.650 125 S N 1.382 116.972 115.700 -0.184 0.000 2.507 125 S HA 0.375 4.845 4.470 0.000 0.000 0.235 125 S C 1.014 175.412 174.600 -0.337 0.000 0.988 125 S CA 0.576 58.595 58.200 -0.301 0.000 0.944 125 S CB 0.045 63.075 63.200 -0.283 0.000 0.762 125 S HN 0.683 nan 8.310 nan 0.000 0.526 126 G N 0.269 108.915 108.800 -0.256 0.000 2.340 126 G HA2 0.406 4.366 3.960 0.000 0.000 0.298 126 G HA3 0.406 4.366 3.960 0.000 0.000 0.298 126 G C -0.606 174.141 174.900 -0.255 0.000 1.498 126 G CA -0.716 44.194 45.100 -0.316 0.000 0.847 126 G HN 0.328 nan 8.290 nan 0.000 0.594 127 F N -0.654 119.218 119.950 -0.130 0.000 2.181 127 F HA 0.683 5.210 4.527 0.000 0.000 0.285 127 F C 0.652 176.504 175.800 0.087 0.000 1.134 127 F CA -0.073 57.890 58.000 -0.061 0.000 1.139 127 F CB 0.057 38.991 39.000 -0.110 0.000 1.614 127 F HN 0.424 nan 8.300 nan 0.000 0.519 128 D N -0.545 120.147 120.400 0.485 0.000 2.705 128 D HA -0.115 4.525 4.640 0.000 0.000 0.240 128 D C -2.541 173.855 176.300 0.160 0.000 1.137 128 D CA 0.413 54.634 54.000 0.369 0.000 0.677 128 D CB -1.710 39.339 40.800 0.414 0.000 1.049 128 D HN 0.352 nan 8.370 nan 0.000 0.427 129 P HA 0.346 nan 4.420 nan 0.000 0.277 129 P C -0.400 176.933 177.300 0.056 0.000 1.240 129 P CA -0.234 62.899 63.100 0.056 0.000 0.798 129 P CB 1.728 33.449 31.700 0.036 0.000 0.979 130 S N 1.335 116.996 115.700 -0.065 0.000 2.566 130 S HA 0.459 4.929 4.470 0.000 0.000 0.273 130 S C -1.511 172.969 174.600 -0.200 0.000 1.157 130 S CA -0.575 57.420 58.200 -0.342 0.000 0.938 130 S CB 0.359 63.319 63.200 -0.400 0.000 1.087 130 S HN 0.292 nan 8.310 nan 0.000 0.474 131 L N 4.933 126.125 121.223 -0.051 0.000 2.289 131 L HA 0.711 5.051 4.340 0.000 0.000 0.285 131 L C -1.081 175.736 176.870 -0.089 0.000 1.049 131 L CA -0.345 54.468 54.840 -0.044 0.000 0.804 131 L CB 0.958 42.967 42.059 -0.084 0.000 1.195 131 L HN 0.676 nan 8.230 nan 0.000 0.428 132 F N 4.680 124.472 119.950 -0.262 0.000 2.402 132 F HA 0.424 4.951 4.527 0.000 0.000 0.355 132 F C -0.341 175.331 175.800 -0.213 0.000 1.123 132 F CA -0.479 57.416 58.000 -0.175 0.000 1.021 132 F CB 0.446 39.433 39.000 -0.021 0.000 1.160 132 F HN 0.472 nan 8.300 nan 0.000 0.451 133 H N 4.511 123.219 119.070 -0.603 0.000 2.820 133 H HA 0.144 4.700 4.556 0.000 0.000 0.278 133 H C -0.513 174.315 175.328 -0.833 0.000 1.142 133 H CA -0.464 55.235 56.048 -0.581 0.000 1.346 133 H CB 0.586 30.106 29.762 -0.404 0.000 1.438 133 H HN 0.559 nan 8.280 nan 0.000 0.473 134 D N 2.121 122.196 120.400 -0.542 0.000 2.341 134 D HA -0.021 4.619 4.640 0.000 0.000 0.245 134 D C 1.200 177.480 176.300 -0.033 0.000 1.106 134 D CA -0.274 53.569 54.000 -0.262 0.000 0.905 134 D CB 1.085 42.061 40.800 0.293 0.000 1.202 134 D HN 0.426 nan 8.370 nan 0.000 0.426 135 E N 1.421 121.659 120.200 0.063 0.000 2.273 135 E HA -0.199 4.151 4.350 0.000 0.000 0.198 135 E C 0.789 177.426 176.600 0.061 0.000 1.002 135 E CA 0.954 57.393 56.400 0.065 0.000 0.828 135 E CB -0.004 29.749 29.700 0.087 0.000 0.747 135 E HN 0.584 nan 8.360 nan 0.000 0.491 136 D N -0.914 119.540 120.400 0.090 0.000 2.342 136 D HA 0.068 4.708 4.640 0.000 0.000 0.221 136 D C 1.278 177.609 176.300 0.052 0.000 1.101 136 D CA 0.579 54.627 54.000 0.080 0.000 0.837 136 D CB 0.275 41.144 40.800 0.115 0.000 0.938 136 D HN 0.180 nan 8.370 nan 0.000 0.508 137 G N 0.739 109.554 108.800 0.025 0.000 2.199 137 G HA2 -0.279 3.681 3.960 0.000 0.000 0.254 137 G HA3 -0.279 3.681 3.960 0.000 0.000 0.254 137 G C 0.358 175.240 174.900 -0.031 0.000 0.982 137 G CA -0.166 44.931 45.100 -0.004 0.000 0.632 137 G HN 0.387 nan 8.290 nan 0.000 0.529 138 R N 0.288 120.774 120.500 -0.025 0.000 2.582 138 R HA 0.613 4.953 4.340 0.000 0.000 0.271 138 R C -0.159 175.991 176.300 -0.249 0.000 1.078 138 R CA 0.003 56.012 56.100 -0.152 0.000 1.127 138 R CB 0.616 30.830 30.300 -0.142 0.000 1.038 138 R HN 0.274 nan 8.270 nan 0.000 0.500 139 K N 1.628 121.783 120.400 -0.408 0.000 2.426 139 K HA 0.372 4.692 4.320 0.000 0.000 0.254 139 K C -1.432 174.932 176.600 -0.393 0.000 0.936 139 K CA -0.380 55.714 56.287 -0.321 0.000 0.801 139 K CB 1.616 34.008 32.500 -0.181 0.000 1.139 139 K HN 0.398 nan 8.250 nan 0.000 0.424 140 Y N 1.905 122.207 120.300 0.003 0.000 2.409 140 Y HA 0.438 4.988 4.550 0.000 0.000 0.343 140 Y C -0.678 175.228 175.900 0.010 0.000 0.973 140 Y CA -1.139 56.994 58.100 0.056 0.000 1.064 140 Y CB 1.448 39.968 38.460 0.101 0.000 1.207 140 Y HN 0.343 nan 8.280 nan 0.000 0.452 141 L N 5.260 126.569 121.223 0.144 0.000 2.275 141 L HA 0.720 5.060 4.340 0.000 0.000 0.288 141 L C -0.680 176.204 176.870 0.024 0.000 1.046 141 L CA -0.648 54.218 54.840 0.043 0.000 0.805 141 L CB 0.797 42.858 42.059 0.003 0.000 1.193 141 L HN 0.477 nan 8.230 nan 0.000 0.426 142 V N 3.512 123.408 119.914 -0.030 0.000 2.581 142 V HA 0.783 4.903 4.120 0.000 0.000 0.303 142 V C -0.637 175.422 176.094 -0.058 0.000 1.041 142 V CA -0.571 61.692 62.300 -0.062 0.000 0.907 142 V CB 1.569 33.317 31.823 -0.126 0.000 0.994 142 V HN 0.964 nan 8.190 nan 0.000 0.442 143 N N 2.760 121.439 118.700 -0.034 0.000 2.927 143 N HA 0.450 5.190 4.740 0.000 0.000 0.248 143 N C -0.767 174.733 175.510 -0.018 0.000 1.443 143 N CA -0.887 52.142 53.050 -0.035 0.000 0.870 143 N CB 2.065 40.525 38.487 -0.044 0.000 1.444 143 N HN 0.884 nan 8.380 nan 0.000 0.519 144 M N -0.562 118.993 119.600 -0.075 0.000 2.240 144 M HA 0.388 4.868 4.480 0.000 0.000 0.333 144 M C -1.018 175.252 176.300 -0.050 0.000 1.110 144 M CA 0.049 55.305 55.300 -0.074 0.000 1.173 144 M CB 0.052 32.526 32.600 -0.211 0.000 1.458 144 M HN 0.524 nan 8.290 nan 0.000 0.458 145 Y N 3.071 123.327 120.300 -0.072 0.000 2.334 145 Y HA 0.362 4.912 4.550 0.000 0.000 0.336 145 Y C -1.327 174.548 175.900 -0.041 0.000 0.960 145 Y CA -0.588 57.497 58.100 -0.024 0.000 1.164 145 Y CB 0.835 39.343 38.460 0.080 0.000 1.155 145 Y HN 0.823 nan 8.280 nan 0.000 0.478 146 W N 8.006 129.028 121.300 -0.464 0.000 2.311 146 W HA 0.194 4.854 4.660 0.000 0.000 0.310 146 W C -1.016 175.347 176.519 -0.259 0.000 1.274 146 W CA -0.192 56.926 57.345 -0.377 0.000 1.215 146 W CB 1.113 30.360 29.460 -0.357 0.000 1.227 146 W HN 0.562 nan 8.180 nan 0.000 0.523 147 D N 5.124 125.065 120.400 -0.764 0.000 2.381 147 D HA 0.005 4.645 4.640 0.000 0.000 0.235 147 D C 1.308 177.064 176.300 -0.908 0.000 1.068 147 D CA -0.162 53.460 54.000 -0.630 0.000 0.832 147 D CB 0.728 41.313 40.800 -0.359 0.000 1.101 147 D HN 0.566 nan 8.370 nan 0.000 0.515 148 H N 2.768 121.481 119.070 -0.595 0.000 2.548 148 H HA 0.168 4.724 4.556 0.000 0.000 0.268 148 H C -0.055 174.969 175.328 -0.507 0.000 0.975 148 H CA -0.099 55.597 56.048 -0.586 0.000 1.195 148 H CB 0.241 29.566 29.762 -0.729 0.000 1.397 148 H HN 0.137 nan 8.280 nan 0.000 0.572 149 R N 1.108 121.028 120.500 -0.968 0.000 2.537 149 R HA 0.074 4.414 4.340 0.000 0.000 0.280 149 R C 1.413 177.572 176.300 -0.236 0.000 1.058 149 R CA 0.086 55.804 56.100 -0.637 0.000 1.057 149 R CB 1.217 31.101 30.300 -0.695 0.000 0.973 149 R HN -0.047 nan 8.270 nan 0.000 0.438 150 V N 2.270 122.108 119.914 -0.125 0.000 2.392 150 V HA -0.277 3.844 4.120 0.000 0.000 0.249 150 V C 1.366 177.461 176.094 0.001 0.000 1.059 150 V CA 2.225 64.495 62.300 -0.049 0.000 1.051 150 V CB -0.521 31.293 31.823 -0.015 0.000 0.658 150 V HN 0.863 nan 8.190 nan 0.000 0.455 151 D N -1.847 118.595 120.400 0.069 0.000 2.349 151 D HA -0.032 4.608 4.640 0.000 0.000 0.224 151 D C 0.524 176.757 176.300 -0.112 0.000 1.029 151 D CA 0.293 54.297 54.000 0.007 0.000 0.879 151 D CB -0.157 40.642 40.800 -0.002 0.000 0.906 151 D HN 0.523 nan 8.370 nan 0.000 0.528 152 H N -0.960 118.053 119.070 -0.094 0.000 2.679 152 H HA 0.316 4.872 4.556 0.000 0.000 0.367 152 H C -0.737 174.554 175.328 -0.060 0.000 1.162 152 H CA -0.885 55.120 56.048 -0.073 0.000 1.181 152 H CB 1.152 30.844 29.762 -0.117 0.000 1.693 152 H HN -0.064 nan 8.280 nan 0.000 0.538 153 H N 3.479 122.556 119.070 0.012 0.000 2.848 153 H HA 0.102 4.658 4.556 0.000 0.000 0.317 153 H C -1.730 173.561 175.328 -0.062 0.000 1.046 153 H CA -1.900 54.141 56.048 -0.012 0.000 1.470 153 H CB 0.990 30.751 29.762 -0.003 0.000 1.483 153 H HN 0.450 nan 8.280 nan 0.000 0.548 154 P HA -0.127 nan 4.420 nan 0.000 0.218 154 P C -0.322 176.460 177.300 -0.862 0.000 1.149 154 P CA 1.203 63.690 63.100 -1.021 0.000 0.817 154 P CB 0.131 31.058 31.700 -1.288 0.000 0.785 155 F N -1.156 118.351 119.950 -0.738 0.000 2.515 155 F HA 0.142 4.669 4.527 0.000 0.000 0.353 155 F C 1.458 177.257 175.800 -0.002 0.000 1.213 155 F CA -0.605 57.259 58.000 -0.227 0.000 1.194 155 F CB -0.318 38.654 39.000 -0.048 0.000 1.488 155 F HN -0.120 nan 8.300 nan 0.000 0.619 156 Y N 2.218 122.515 120.300 -0.005 0.000 2.616 156 Y HA 0.246 4.796 4.550 0.000 0.000 0.296 156 Y C 1.281 177.204 175.900 0.039 0.000 1.154 156 Y CA 0.748 58.874 58.100 0.043 0.000 1.325 156 Y CB -0.311 38.212 38.460 0.104 0.000 1.007 156 Y HN 0.610 nan 8.280 nan 0.000 0.542 157 G N -0.147 108.729 108.800 0.125 0.000 2.352 157 G HA2 -0.061 3.899 3.960 0.000 0.000 0.324 157 G HA3 -0.061 3.899 3.960 0.000 0.000 0.324 157 G C -1.564 173.403 174.900 0.110 0.000 1.249 157 G CA -0.536 44.580 45.100 0.027 0.000 1.053 157 G HN -0.035 nan 8.290 nan 0.000 0.492 158 I N 0.890 121.510 120.570 0.084 0.000 2.339 158 I HA 0.552 4.722 4.170 0.000 0.000 0.290 158 I C 0.672 176.822 176.117 0.054 0.000 0.994 158 I CA -0.824 60.523 61.300 0.078 0.000 1.191 158 I CB 0.695 38.731 38.000 0.061 0.000 1.343 158 I HN 0.532 nan 8.210 nan 0.000 0.458 159 V N 8.118 128.080 119.914 0.079 0.000 2.539 159 V HA 0.518 4.638 4.120 0.000 0.000 0.292 159 V C -0.654 175.453 176.094 0.022 0.000 1.045 159 V CA -0.557 61.785 62.300 0.070 0.000 0.945 159 V CB 2.174 34.112 31.823 0.192 0.000 0.993 159 V HN 0.618 nan 8.190 nan 0.000 0.464 160 L N 5.993 127.218 121.223 0.003 0.000 2.362 160 L HA 0.675 5.016 4.340 0.000 0.000 0.275 160 L C -0.616 176.292 176.870 0.063 0.000 0.998 160 L CA 0.177 54.995 54.840 -0.037 0.000 0.820 160 L CB 1.690 43.608 42.059 -0.235 0.000 1.270 160 L HN 0.829 nan 8.230 nan 0.000 0.415 161 Q N 2.476 122.346 119.800 0.117 0.000 2.416 161 Q HA 0.333 4.673 4.340 0.000 0.000 0.281 161 Q C -1.550 174.600 176.000 0.249 0.000 1.067 161 Q CA -0.768 55.148 55.803 0.188 0.000 0.809 161 Q CB 2.229 31.049 28.738 0.137 0.000 1.418 161 Q HN 0.722 nan 8.270 nan 0.000 0.411 162 E N 1.456 121.801 120.200 0.242 0.000 2.313 162 E HA 0.086 4.436 4.350 0.000 0.000 0.276 162 E C -1.607 175.016 176.600 0.039 0.000 1.031 162 E CA -0.256 56.169 56.400 0.042 0.000 0.857 162 E CB 0.709 30.366 29.700 -0.072 0.000 1.040 162 E HN 0.461 nan 8.360 nan 0.000 0.408 163 Y N 3.521 123.732 120.300 -0.148 0.000 2.367 163 Y HA 0.185 4.735 4.550 0.000 0.000 0.342 163 Y C -0.338 175.508 175.900 -0.090 0.000 0.979 163 Y CA -0.570 57.480 58.100 -0.084 0.000 1.161 163 Y CB 1.245 39.670 38.460 -0.058 0.000 1.155 163 Y HN 0.340 nan 8.280 nan 0.000 0.503 164 S N 5.488 120.858 115.700 -0.550 0.000 2.422 164 S HA 0.186 4.656 4.470 0.000 0.000 0.283 164 S C 0.908 175.036 174.600 -0.786 0.000 1.163 164 S CA -0.510 57.394 58.200 -0.493 0.000 1.054 164 S CB 0.089 63.124 63.200 -0.275 0.000 0.967 164 S HN 0.711 nan 8.310 nan 0.000 0.499 165 V N 5.513 125.151 119.914 -0.460 0.000 2.261 165 V HA -0.166 3.954 4.120 0.000 0.000 0.246 165 V C 2.488 178.519 176.094 -0.105 0.000 1.047 165 V CA 2.319 64.514 62.300 -0.175 0.000 1.015 165 V CB -0.928 30.959 31.823 0.106 0.000 0.642 165 V HN 0.961 nan 8.190 nan 0.000 0.446 166 E N 0.226 120.372 120.200 -0.091 0.000 2.058 166 E HA -0.294 4.056 4.350 0.000 0.000 0.194 166 E C 2.175 178.741 176.600 -0.057 0.000 0.997 166 E CA 1.789 58.160 56.400 -0.048 0.000 0.801 166 E CB -0.144 29.532 29.700 -0.040 0.000 0.746 166 E HN 0.716 nan 8.360 nan 0.000 0.450 167 Q N -0.123 119.613 119.800 -0.107 0.000 2.432 167 Q HA 0.018 4.358 4.340 0.000 0.000 0.205 167 Q C -0.151 175.813 176.000 -0.060 0.000 0.945 167 Q CA 0.471 56.229 55.803 -0.074 0.000 0.924 167 Q CB 0.222 28.913 28.738 -0.078 0.000 1.016 167 Q HN 0.172 nan 8.270 nan 0.000 0.503 168 K N 1.170 121.496 120.400 -0.123 0.000 3.096 168 K HA -0.233 4.087 4.320 0.000 0.000 0.266 168 K C -0.702 175.979 176.600 0.135 0.000 1.043 168 K CA 1.003 57.310 56.287 0.033 0.000 0.758 168 K CB -1.846 30.738 32.500 0.141 0.000 1.260 168 K HN 0.366 nan 8.250 nan 0.000 0.481 169 K N -1.094 119.284 120.400 -0.036 0.000 2.578 169 K HA 0.555 4.875 4.320 0.000 0.000 0.287 169 K C -0.779 175.858 176.600 0.062 0.000 1.010 169 K CA -1.263 55.094 56.287 0.117 0.000 0.889 169 K CB 1.191 33.735 32.500 0.072 0.000 1.514 169 K HN -0.027 nan 8.250 nan 0.000 0.424 170 L N 1.598 122.910 121.223 0.149 0.000 2.395 170 L HA 0.508 4.848 4.340 0.000 0.000 0.269 170 L C 0.010 176.911 176.870 0.051 0.000 1.133 170 L CA -0.843 54.068 54.840 0.120 0.000 0.812 170 L CB 1.334 43.459 42.059 0.111 0.000 1.125 170 L HN 0.568 nan 8.230 nan 0.000 0.452 171 V N -0.762 119.176 119.914 0.040 0.000 3.102 171 V HA 1.034 5.154 4.120 0.000 0.000 0.312 171 V C 0.228 176.360 176.094 0.063 0.000 1.135 171 V CA -0.052 62.267 62.300 0.032 0.000 1.022 171 V CB 1.041 32.861 31.823 -0.005 0.000 1.056 171 V HN 1.043 nan 8.190 nan 0.000 0.436 172 G N 0.888 109.723 108.800 0.058 0.000 2.693 172 G HA2 -0.134 3.826 3.960 0.000 0.000 0.226 172 G HA3 -0.134 3.826 3.960 0.000 0.000 0.226 172 G C -0.463 174.485 174.900 0.080 0.000 1.354 172 G CA 0.332 45.475 45.100 0.072 0.000 0.873 172 G HN 1.239 nan 8.290 nan 0.000 0.562 173 E N 1.378 121.629 120.200 0.085 0.000 2.166 173 E HA 0.448 4.799 4.350 0.000 0.000 0.275 173 E C -1.989 174.681 176.600 0.117 0.000 0.941 173 E CA -1.725 54.724 56.400 0.081 0.000 0.784 173 E CB 1.734 31.464 29.700 0.051 0.000 1.115 173 E HN 0.353 nan 8.360 nan 0.000 0.399 174 P HA 0.121 nan 4.420 nan 0.000 0.271 174 P C -1.105 176.255 177.300 0.101 0.000 1.216 174 P CA 0.051 63.225 63.100 0.124 0.000 0.776 174 P CB 0.921 32.696 31.700 0.124 0.000 0.881 175 K N 2.173 122.648 120.400 0.125 0.000 2.469 175 K HA 0.474 4.795 4.320 0.000 0.000 0.254 175 K C -0.323 176.315 176.600 0.064 0.000 0.939 175 K CA -1.065 55.285 56.287 0.104 0.000 0.812 175 K CB 1.939 34.564 32.500 0.208 0.000 1.301 175 K HN 0.304 nan 8.250 nan 0.000 0.433 176 I N 4.092 124.669 120.570 0.012 0.000 2.471 176 I HA 0.057 4.227 4.170 0.000 0.000 0.286 176 I C 1.422 177.577 176.117 0.063 0.000 1.079 176 I CA 0.225 61.527 61.300 0.004 0.000 1.398 176 I CB 0.153 38.126 38.000 -0.045 0.000 1.403 176 I HN 0.725 nan 8.210 nan 0.000 0.530 177 I N 2.824 123.437 120.570 0.071 0.000 4.181 177 I HA 0.365 4.535 4.170 0.000 0.000 0.331 177 I C -0.164 176.092 176.117 0.231 0.000 1.312 177 I CA 0.246 61.629 61.300 0.138 0.000 1.146 177 I CB 0.643 38.675 38.000 0.052 0.000 1.074 177 I HN 0.289 nan 8.210 nan 0.000 0.402 178 F N 1.663 121.574 119.950 -0.066 0.000 2.639 178 F HA 0.445 4.972 4.527 0.000 0.000 0.326 178 F C 0.055 175.807 175.800 -0.080 0.000 1.150 178 F CA -1.074 56.875 58.000 -0.085 0.000 1.057 178 F CB 1.573 40.448 39.000 -0.207 0.000 1.300 178 F HN -0.266 nan 8.300 nan 0.000 0.486 179 K N 3.099 123.157 120.400 -0.569 0.000 2.323 179 K HA 0.498 4.818 4.320 0.000 0.000 0.197 179 K C 0.794 176.970 176.600 -0.706 0.000 1.043 179 K CA 0.792 56.769 56.287 -0.518 0.000 0.997 179 K CB -0.026 32.248 32.500 -0.377 0.000 0.807 179 K HN 0.990 nan 8.250 nan 0.000 0.497 180 G N 1.050 108.986 108.800 -1.441 0.000 2.525 180 G HA2 -0.213 3.747 3.960 0.000 0.000 0.685 180 G HA3 -0.213 3.747 3.960 0.000 0.000 0.685 180 G C -0.104 174.478 174.900 -0.530 0.000 1.290 180 G CA -0.374 44.104 45.100 -1.036 0.000 0.915 180 G HN 0.182 nan 8.290 nan 0.000 0.548 181 T N -2.646 111.776 114.554 -0.220 0.000 2.852 181 T HA 0.533 4.883 4.350 0.000 0.000 0.281 181 T C 1.492 176.095 174.700 -0.162 0.000 0.993 181 T CA 0.901 62.922 62.100 -0.131 0.000 0.933 181 T CB 1.166 70.001 68.868 -0.055 0.000 1.187 181 T HN 1.166 nan 8.240 nan 0.000 0.559 182 D N -0.012 120.300 120.400 -0.146 0.000 2.309 182 D HA -0.103 4.537 4.640 0.000 0.000 0.212 182 D C 1.862 178.046 176.300 -0.193 0.000 0.968 182 D CA 0.745 54.645 54.000 -0.167 0.000 0.882 182 D CB -0.705 40.007 40.800 -0.145 0.000 0.918 182 D HN 0.521 nan 8.370 nan 0.000 0.503 183 L N -0.654 120.463 121.223 -0.177 0.000 2.131 183 L HA -0.092 4.248 4.340 0.000 0.000 0.210 183 L C 1.288 178.040 176.870 -0.197 0.000 1.092 183 L CA 0.558 55.286 54.840 -0.187 0.000 0.759 183 L CB -0.282 41.687 42.059 -0.150 0.000 0.903 183 L HN -0.024 nan 8.230 nan 0.000 0.435 184 R N -1.134 119.251 120.500 -0.192 0.000 3.819 184 R HA -0.263 4.077 4.340 0.000 0.000 0.488 184 R C 0.787 177.019 176.300 -0.113 0.000 0.241 184 R CA 1.222 57.208 56.100 -0.190 0.000 1.530 184 R CB -1.400 28.611 30.300 -0.482 0.000 1.019 184 R HN 0.292 nan 8.270 nan 0.000 0.557 185 I N -0.738 119.824 120.570 -0.013 0.000 6.679 185 I HA -0.252 3.918 4.170 0.000 0.000 0.126 185 I C -0.043 175.860 176.117 -0.358 0.000 1.811 185 I CA 1.241 62.172 61.300 -0.614 0.000 2.117 185 I CB -1.879 35.791 38.000 -0.550 0.000 3.492 185 I HN 0.447 nan 8.210 nan 0.000 0.193 186 T N 1.830 116.413 114.554 0.047 0.000 2.727 186 T HA 0.546 4.896 4.350 0.000 0.000 0.295 186 T C 0.777 175.694 174.700 0.363 0.000 0.915 186 T CA 0.285 62.490 62.100 0.174 0.000 1.066 186 T CB 1.399 70.329 68.868 0.102 0.000 0.891 186 T HN 0.660 nan 8.240 nan 0.000 0.516 187 G N 0.975 109.967 108.800 0.320 0.000 3.195 187 G HA2 0.594 4.554 3.960 0.000 0.000 0.217 187 G HA3 0.594 4.554 3.960 0.000 0.000 0.217 187 G C 0.585 175.577 174.900 0.153 0.000 1.166 187 G CA -0.188 45.111 45.100 0.330 0.000 0.812 187 G HN 0.980 nan 8.290 nan 0.000 0.617 188 G N 1.031 109.916 108.800 0.142 0.000 2.424 188 G HA2 -0.145 3.815 3.960 0.000 0.000 0.294 188 G HA3 -0.145 3.815 3.960 0.000 0.000 0.294 188 G C -1.866 172.759 174.900 -0.459 0.000 0.939 188 G CA 0.412 45.370 45.100 -0.237 0.000 1.143 188 G HN 0.549 nan 8.290 nan 0.000 0.507 189 P HA 0.275 nan 4.420 nan 0.000 0.281 189 P C -0.461 176.522 177.300 -0.529 0.000 1.252 189 P CA 0.152 63.054 63.100 -0.329 0.000 0.778 189 P CB 1.004 32.594 31.700 -0.184 0.000 0.895 190 H N 2.597 121.597 119.070 -0.117 0.000 2.689 190 H HA 0.397 4.953 4.556 0.000 0.000 0.346 190 H C -0.207 174.914 175.328 -0.345 0.000 1.037 190 H CA -0.666 55.251 56.048 -0.219 0.000 1.234 190 H CB 1.510 31.248 29.762 -0.040 0.000 1.572 190 H HN 0.324 nan 8.280 nan 0.000 0.524 191 L N 3.869 124.872 121.223 -0.366 0.000 2.295 191 L HA 0.359 4.699 4.340 0.000 0.000 0.285 191 L C -0.917 175.666 176.870 -0.479 0.000 1.035 191 L CA -0.678 53.891 54.840 -0.453 0.000 0.806 191 L CB 0.647 42.224 42.059 -0.803 0.000 1.214 191 L HN 0.486 nan 8.230 nan 0.000 0.426 192 Y N 1.987 122.424 120.300 0.228 0.000 2.406 192 Y HA 0.384 4.934 4.550 0.000 0.000 0.340 192 Y C -0.228 175.942 175.900 0.450 0.000 0.975 192 Y CA -1.134 57.231 58.100 0.441 0.000 1.056 192 Y CB 1.739 40.459 38.460 0.434 0.000 1.210 192 Y HN 0.312 nan 8.280 nan 0.000 0.448 193 K N 4.311 125.097 120.400 0.643 0.000 2.264 193 K HA 0.678 4.998 4.320 0.000 0.000 0.277 193 K C -1.650 175.157 176.600 0.346 0.000 1.067 193 K CA 0.021 56.532 56.287 0.374 0.000 0.900 193 K CB -0.061 32.617 32.500 0.296 0.000 1.124 193 K HN 0.694 nan 8.250 nan 0.000 0.469 194 I N 3.455 124.236 120.570 0.351 0.000 2.802 194 I HA 0.336 4.506 4.170 0.000 0.000 0.298 194 I C 0.312 176.554 176.117 0.209 0.000 1.176 194 I CA -1.045 60.413 61.300 0.264 0.000 1.025 194 I CB 2.133 40.234 38.000 0.169 0.000 1.243 194 I HN 0.871 nan 8.210 nan 0.000 0.424 195 N N 2.017 120.740 118.700 0.038 0.000 1.202 195 N HA -0.245 4.495 4.740 0.000 0.000 0.108 195 N C 0.960 176.400 175.510 -0.118 0.000 0.816 195 N CA 1.280 54.308 53.050 -0.037 0.000 0.848 195 N CB -0.832 37.667 38.487 0.019 0.000 0.972 195 N HN 0.964 nan 8.380 nan 0.000 0.645 196 G N -1.350 107.281 108.800 -0.283 0.000 3.042 196 G HA2 0.222 4.183 3.960 0.000 0.000 0.212 196 G HA3 0.222 4.183 3.960 0.000 0.000 0.212 196 G C -0.723 173.864 174.900 -0.523 0.000 1.166 196 G CA 0.374 45.220 45.100 -0.423 0.000 0.767 196 G HN 0.368 nan 8.290 nan 0.000 0.546 197 Y N -0.973 119.188 120.300 -0.231 0.000 2.446 197 Y HA 0.560 5.110 4.550 0.000 0.000 0.338 197 Y C -0.406 175.279 175.900 -0.360 0.000 1.055 197 Y CA -1.800 56.080 58.100 -0.367 0.000 1.101 197 Y CB 1.047 39.117 38.460 -0.651 0.000 1.221 197 Y HN 0.006 nan 8.280 nan 0.000 0.460 198 Y N 1.267 121.525 120.300 -0.070 0.000 2.319 198 Y HA 0.240 4.790 4.550 0.000 0.000 0.328 198 Y C -0.761 175.081 175.900 -0.097 0.000 1.133 198 Y CA -0.261 57.821 58.100 -0.029 0.000 1.265 198 Y CB 0.261 38.672 38.460 -0.082 0.000 1.218 198 Y HN 0.439 nan 8.280 nan 0.000 0.508 199 Y N 3.342 123.823 120.300 0.302 0.000 2.352 199 Y HA 0.440 4.990 4.550 0.000 0.000 0.339 199 Y C -0.691 175.328 175.900 0.199 0.000 0.992 199 Y CA -0.966 57.290 58.100 0.259 0.000 1.100 199 Y CB 1.403 40.028 38.460 0.275 0.000 1.192 199 Y HN 0.411 nan 8.280 nan 0.000 0.458 200 L N 5.563 126.888 121.223 0.169 0.000 2.298 200 L HA 0.556 4.896 4.340 0.000 0.000 0.284 200 L C -1.584 175.255 176.870 -0.052 0.000 1.013 200 L CA -0.766 53.986 54.840 -0.147 0.000 0.824 200 L CB 0.986 42.591 42.059 -0.757 0.000 1.221 200 L HN 0.603 nan 8.230 nan 0.000 0.418 201 L N 5.543 126.813 121.223 0.079 0.000 2.296 201 L HA 0.810 5.150 4.340 0.000 0.000 0.286 201 L C -0.310 176.564 176.870 0.007 0.000 1.023 201 L CA 0.295 55.211 54.840 0.126 0.000 0.812 201 L CB 1.576 43.849 42.059 0.356 0.000 1.223 201 L HN 0.819 nan 8.230 nan 0.000 0.421 202 T N 2.285 116.838 114.554 -0.001 0.000 2.906 202 T HA 0.876 5.226 4.350 0.000 0.000 0.295 202 T C -0.359 174.349 174.700 0.014 0.000 1.061 202 T CA -0.526 61.573 62.100 -0.001 0.000 1.000 202 T CB 1.564 70.499 68.868 0.113 0.000 1.103 202 T HN 0.858 nan 8.240 nan 0.000 0.486 203 A N 1.790 124.621 122.820 0.017 0.000 2.328 203 A HA 0.685 5.005 4.320 0.000 0.000 0.284 203 A C 0.041 177.719 177.584 0.156 0.000 1.160 203 A CA -0.554 51.545 52.037 0.103 0.000 0.818 203 A CB 0.179 19.347 19.000 0.279 0.000 1.087 203 A HN 0.873 nan 8.150 nan 0.000 0.504 204 E N 0.362 120.638 120.200 0.128 0.000 2.393 204 E HA 0.560 4.910 4.350 0.000 0.000 0.273 204 E C 0.516 177.173 176.600 0.095 0.000 0.918 204 E CA -0.302 56.144 56.400 0.077 0.000 0.773 204 E CB 1.883 31.597 29.700 0.024 0.000 1.275 204 E HN 1.336 nan 8.360 nan 0.000 0.451 205 G N 0.859 109.655 108.800 -0.007 0.000 2.176 205 G HA2 -0.131 3.829 3.960 0.000 0.000 0.253 205 G HA3 -0.131 3.829 3.960 0.000 0.000 0.253 205 G C 0.537 175.429 174.900 -0.012 0.000 0.979 205 G CA 0.150 45.229 45.100 -0.034 0.000 0.641 205 G HN 1.280 nan 8.290 nan 0.000 0.530 206 G N -1.967 106.828 108.800 -0.010 0.000 2.733 206 G HA2 0.244 4.204 3.960 0.000 0.000 0.686 206 G HA3 0.244 4.204 3.960 0.000 0.000 0.686 206 G C 0.258 175.018 174.900 -0.232 0.000 1.373 206 G CA 0.672 45.734 45.100 -0.063 0.000 0.838 206 G HN 1.648 nan 8.290 nan 0.000 0.588 207 T N 0.963 115.300 114.554 -0.361 0.000 3.393 207 T HA 0.381 4.731 4.350 0.000 0.000 0.248 207 T C 1.338 175.837 174.700 -0.335 0.000 0.992 207 T CA 1.138 62.812 62.100 -0.711 0.000 0.929 207 T CB -0.512 68.058 68.868 -0.496 0.000 1.065 207 T HN 0.605 nan 8.240 nan 0.000 0.597 208 R N -0.932 119.438 120.500 -0.216 0.000 3.310 208 R HA 0.402 4.742 4.340 0.000 0.000 0.214 208 R C 0.453 176.627 176.300 -0.211 0.000 1.680 208 R CA -0.691 55.265 56.100 -0.240 0.000 0.927 208 R CB 0.122 30.369 30.300 -0.089 0.000 2.186 208 R HN 0.146 nan 8.270 nan 0.000 0.538 209 Y N 0.672 121.025 120.300 0.089 0.000 2.578 209 Y HA 0.049 4.599 4.550 0.000 0.000 0.297 209 Y C 0.982 177.060 175.900 0.297 0.000 1.176 209 Y CA 0.831 59.027 58.100 0.160 0.000 1.315 209 Y CB -0.387 38.129 38.460 0.093 0.000 1.031 209 Y HN 0.439 nan 8.280 nan 0.000 0.524 210 N N -1.785 117.085 118.700 0.283 0.000 2.280 210 N HA -0.031 4.709 4.740 0.000 0.000 0.192 210 N C 0.074 175.674 175.510 0.149 0.000 1.109 210 N CA -0.134 53.002 53.050 0.142 0.000 0.855 210 N CB 0.012 38.456 38.487 -0.071 0.000 0.974 210 N HN 0.367 nan 8.380 nan 0.000 0.482 211 H N 1.019 120.133 119.070 0.075 0.000 3.092 211 H HA 0.132 4.688 4.556 0.000 0.000 0.332 211 H C -0.357 175.013 175.328 0.070 0.000 1.029 211 H CA -0.069 56.017 56.048 0.063 0.000 1.376 211 H CB 0.461 30.267 29.762 0.075 0.000 1.329 211 H HN 0.193 nan 8.280 nan 0.000 0.598 212 A N 2.830 125.653 122.820 0.006 0.000 2.604 212 A HA 0.617 4.937 4.320 0.000 0.000 0.295 212 A C -1.426 176.067 177.584 -0.152 0.000 1.067 212 A CA -0.121 51.868 52.037 -0.080 0.000 0.683 212 A CB 1.358 20.341 19.000 -0.027 0.000 1.281 212 A HN 0.802 nan 8.150 nan 0.000 0.407 213 A N 0.940 123.677 122.820 -0.138 0.000 2.276 213 A HA 0.754 5.074 4.320 0.000 0.000 0.316 213 A C -0.026 177.514 177.584 -0.074 0.000 1.229 213 A CA -0.251 51.730 52.037 -0.094 0.000 0.851 213 A CB 0.419 19.368 19.000 -0.085 0.000 1.165 213 A HN 0.841 nan 8.150 nan 0.000 0.513 214 T N 2.380 116.917 114.554 -0.028 0.000 2.823 214 T HA 0.580 4.930 4.350 0.000 0.000 0.279 214 T C -0.760 173.947 174.700 0.012 0.000 0.998 214 T CA -0.019 62.073 62.100 -0.014 0.000 0.994 214 T CB 0.943 69.843 68.868 0.054 0.000 0.960 214 T HN 0.574 nan 8.240 nan 0.000 0.448 215 I N 2.588 123.175 120.570 0.028 0.000 2.608 215 I HA 0.799 4.969 4.170 0.000 0.000 0.295 215 I C -0.813 175.430 176.117 0.209 0.000 1.049 215 I CA -0.361 61.020 61.300 0.134 0.000 1.063 215 I CB 1.365 39.495 38.000 0.216 0.000 1.248 215 I HN 0.774 nan 8.210 nan 0.000 0.424 216 A N 6.798 129.737 122.820 0.198 0.000 2.566 216 A HA 0.972 5.292 4.320 0.000 0.000 0.292 216 A C -1.271 176.479 177.584 0.278 0.000 1.112 216 A CA -0.781 51.407 52.037 0.253 0.000 0.707 216 A CB 1.687 20.596 19.000 -0.151 0.000 1.302 216 A HN 0.761 nan 8.150 nan 0.000 0.409 217 R N -0.399 120.196 120.500 0.158 0.000 2.740 217 R HA 0.857 5.197 4.340 0.000 0.000 0.273 217 R C -1.297 174.796 176.300 -0.345 0.000 0.998 217 R CA -0.327 55.595 56.100 -0.297 0.000 0.900 217 R CB 1.837 31.449 30.300 -1.147 0.000 1.223 217 R HN 0.940 nan 8.270 nan 0.000 0.466 218 S N -0.058 115.364 115.700 -0.463 0.000 2.543 218 S HA 0.154 4.624 4.470 0.000 0.000 0.273 218 S C 0.680 175.226 174.600 -0.089 0.000 1.152 218 S CA -0.069 57.872 58.200 -0.432 0.000 0.910 218 S CB 1.736 64.319 63.200 -1.029 0.000 1.105 218 S HN 0.792 nan 8.310 nan 0.000 0.465 219 T N 1.201 115.802 114.554 0.078 0.000 2.759 219 T HA -0.008 4.342 4.350 0.000 0.000 0.269 219 T C 1.134 175.899 174.700 0.108 0.000 1.042 219 T CA 1.600 63.727 62.100 0.045 0.000 1.140 219 T CB -0.372 68.484 68.868 -0.020 0.000 0.864 219 T HN 0.561 nan 8.240 nan 0.000 0.455 220 S N -0.187 115.519 115.700 0.011 0.000 2.632 220 S HA 0.452 4.922 4.470 0.000 0.000 0.271 220 S C 0.783 175.278 174.600 -0.175 0.000 1.260 220 S CA -0.854 57.349 58.200 0.005 0.000 1.010 220 S CB 1.211 64.396 63.200 -0.025 0.000 0.965 220 S HN 0.326 nan 8.310 nan 0.000 0.534 221 L N 3.592 124.617 121.223 -0.330 0.000 2.209 221 L HA 0.285 4.625 4.340 0.000 0.000 0.207 221 L C 1.080 177.682 176.870 -0.446 0.000 1.094 221 L CA 1.687 56.058 54.840 -0.781 0.000 0.790 221 L CB -0.606 40.847 42.059 -1.010 0.000 0.932 221 L HN 0.851 nan 8.230 nan 0.000 0.447 222 Y N -0.025 120.158 120.300 -0.196 0.000 2.482 222 Y HA 0.477 5.027 4.550 0.000 0.000 0.270 222 Y C 1.485 177.399 175.900 0.023 0.000 1.152 222 Y CA 0.311 58.378 58.100 -0.054 0.000 1.292 222 Y CB -0.190 38.236 38.460 -0.058 0.000 1.070 222 Y HN 0.261 nan 8.280 nan 0.000 0.528 223 G N 0.194 108.982 108.800 -0.020 0.000 2.526 223 G HA2 -0.143 3.817 3.960 0.000 0.000 0.250 223 G HA3 -0.143 3.817 3.960 0.000 0.000 0.250 223 G C -2.833 172.038 174.900 -0.050 0.000 1.289 223 G CA -1.321 43.720 45.100 -0.099 0.000 0.947 223 G HN -0.022 nan 8.290 nan 0.000 0.517 224 P HA 0.528 nan 4.420 nan 0.000 0.280 224 P C -0.854 176.445 177.300 -0.003 0.000 1.244 224 P CA -0.182 62.956 63.100 0.064 0.000 0.784 224 P CB 0.267 32.008 31.700 0.069 0.000 0.913 225 Y N 1.045 121.379 120.300 0.057 0.000 2.335 225 Y HA 0.167 4.717 4.550 0.000 0.000 0.331 225 Y C 1.454 177.396 175.900 0.069 0.000 1.094 225 Y CA -0.135 57.966 58.100 0.001 0.000 1.253 225 Y CB 0.668 39.046 38.460 -0.138 0.000 1.203 225 Y HN 0.420 nan 8.280 nan 0.000 0.508 226 E N 1.469 121.769 120.200 0.167 0.000 2.231 226 E HA 0.584 4.934 4.350 0.000 0.000 0.277 226 E C -1.343 175.406 176.600 0.249 0.000 0.999 226 E CA -0.888 55.622 56.400 0.183 0.000 0.827 226 E CB 1.500 31.282 29.700 0.137 0.000 1.101 226 E HN 0.304 nan 8.360 nan 0.000 0.393 227 V N 2.936 122.938 119.914 0.147 0.000 2.686 227 V HA 0.004 4.124 4.120 0.000 0.000 0.295 227 V C 0.648 176.544 176.094 -0.329 0.000 1.057 227 V CA -0.651 61.671 62.300 0.036 0.000 1.012 227 V CB 0.952 32.808 31.823 0.056 0.000 1.006 227 V HN 0.746 nan 8.190 nan 0.000 0.477 228 H N 7.501 126.094 119.070 -0.796 0.000 3.173 228 H HA -0.026 4.530 4.556 0.000 0.000 0.311 228 H C -1.542 173.262 175.328 -0.872 0.000 0.972 228 H CA -0.958 54.204 56.048 -1.477 0.000 1.384 228 H CB 1.258 30.500 29.762 -0.867 0.000 1.349 228 H HN 0.395 nan 8.280 nan 0.000 0.582 229 P HA -0.034 nan 4.420 nan 0.000 0.234 229 P C -0.032 177.216 177.300 -0.088 0.000 1.167 229 P CA 0.934 63.864 63.100 -0.283 0.000 0.763 229 P CB 0.608 32.146 31.700 -0.271 0.000 0.835 230 D N -0.980 119.446 120.400 0.044 0.000 2.620 230 D HA 0.072 4.712 4.640 0.000 0.000 0.260 230 D C 0.075 176.165 176.300 -0.351 0.000 1.367 230 D CA -0.422 53.518 54.000 -0.099 0.000 0.805 230 D CB -0.211 40.610 40.800 0.035 0.000 1.096 230 D HN 0.051 nan 8.370 nan 0.000 0.488 231 N N 2.600 121.084 118.700 -0.360 0.000 2.294 231 N HA 0.006 4.746 4.740 0.000 0.000 0.248 231 N C -2.360 173.030 175.510 -0.201 0.000 1.242 231 N CA -0.172 52.680 53.050 -0.330 0.000 0.848 231 N CB 0.585 38.956 38.487 -0.194 0.000 1.084 231 N HN -0.073 nan 8.380 nan 0.000 0.457 232 P HA 0.039 nan 4.420 nan 0.000 0.274 232 P C 0.593 177.710 177.300 -0.304 0.000 1.231 232 P CA -0.486 62.500 63.100 -0.191 0.000 0.790 232 P CB 0.634 32.275 31.700 -0.099 0.000 0.951 233 L N 2.153 123.179 121.223 -0.328 0.000 2.056 233 L HA 0.140 4.481 4.340 0.000 0.000 0.207 233 L C 0.349 177.085 176.870 -0.224 0.000 1.078 233 L CA 1.823 56.442 54.840 -0.368 0.000 0.749 233 L CB -0.537 41.359 42.059 -0.272 0.000 0.901 233 L HN 0.323 nan 8.230 nan 0.000 0.433 234 L N -0.993 120.132 121.223 -0.163 0.000 2.464 234 L HA 0.638 4.978 4.340 0.000 0.000 0.266 234 L C -0.944 175.873 176.870 -0.089 0.000 0.965 234 L CA 0.209 54.966 54.840 -0.140 0.000 0.833 234 L CB 1.949 43.887 42.059 -0.202 0.000 1.296 234 L HN 0.019 nan 8.230 nan 0.000 0.405 235 T N 1.512 116.066 114.554 -0.001 0.000 2.957 235 T HA 0.395 4.745 4.350 0.000 0.000 0.336 235 T C -0.153 174.689 174.700 0.237 0.000 1.462 235 T CA -0.064 62.096 62.100 0.100 0.000 1.073 235 T CB 1.426 70.374 68.868 0.133 0.000 1.319 235 T HN 0.553 nan 8.240 nan 0.000 0.485 236 S N 1.823 117.679 115.700 0.259 0.000 2.540 236 S HA 0.120 4.590 4.470 0.000 0.000 0.218 236 S C 1.074 175.860 174.600 0.309 0.000 0.977 236 S CA -0.491 57.910 58.200 0.336 0.000 0.918 236 S CB -0.107 63.247 63.200 0.256 0.000 0.806 236 S HN 0.755 nan 8.310 nan 0.000 0.496 237 W N 4.106 125.468 121.300 0.105 0.000 2.354 237 W HA -0.046 4.614 4.660 0.000 0.000 0.315 237 W C -1.814 174.641 176.519 -0.107 0.000 1.206 237 W CA 1.391 58.750 57.345 0.025 0.000 1.290 237 W CB -1.122 28.340 29.460 0.004 0.000 1.152 237 W HN 0.175 nan 8.180 nan 0.000 0.489 238 P HA -0.027 nan 4.420 nan 0.000 0.249 238 P C -1.137 175.596 177.300 -0.946 0.000 1.241 238 P CA 1.063 63.618 63.100 -0.909 0.000 0.781 238 P CB -0.399 30.826 31.700 -0.793 0.000 1.088 239 Y N -0.302 119.893 120.300 -0.175 0.000 2.748 239 Y HA 0.299 4.849 4.550 0.000 0.000 0.359 239 Y C -1.516 174.322 175.900 -0.105 0.000 1.030 239 Y CA -2.733 55.301 58.100 -0.110 0.000 1.169 239 Y CB 0.638 39.075 38.460 -0.039 0.000 1.127 239 Y HN -0.020 nan 8.280 nan 0.000 0.644 240 P HA -0.100 nan 4.420 nan 0.000 0.223 240 P C 0.855 178.139 177.300 -0.027 0.000 1.151 240 P CA 1.192 64.235 63.100 -0.095 0.000 0.787 240 P CB 0.438 32.033 31.700 -0.176 0.000 0.788 241 R N -1.139 119.365 120.500 0.007 0.000 2.297 241 R HA 0.094 4.434 4.340 0.000 0.000 0.197 241 R C 1.067 177.394 176.300 0.046 0.000 0.943 241 R CA -0.244 55.867 56.100 0.018 0.000 1.038 241 R CB -0.414 29.893 30.300 0.012 0.000 0.957 241 R HN 0.110 nan 8.270 nan 0.000 0.484 242 N N 2.146 120.890 118.700 0.075 0.000 2.468 242 N HA -0.015 4.725 4.740 0.000 0.000 0.265 242 N C -1.614 173.955 175.510 0.098 0.000 1.199 242 N CA -1.315 51.784 53.050 0.082 0.000 0.928 242 N CB 1.229 39.776 38.487 0.100 0.000 1.059 242 N HN -0.069 nan 8.380 nan 0.000 0.467 243 P HA -0.121 nan 4.420 nan 0.000 0.218 243 P C 0.039 177.432 177.300 0.155 0.000 1.146 243 P CA 1.213 64.383 63.100 0.117 0.000 0.813 243 P CB 0.304 32.069 31.700 0.108 0.000 0.778 244 L N 0.398 121.711 121.223 0.151 0.000 2.272 244 L HA 0.274 4.614 4.340 0.000 0.000 0.284 244 L C 0.672 177.662 176.870 0.200 0.000 1.045 244 L CA -0.556 54.392 54.840 0.181 0.000 0.842 244 L CB 0.720 42.887 42.059 0.180 0.000 1.224 244 L HN -0.092 nan 8.230 nan 0.000 0.430 245 Q N 2.379 122.316 119.800 0.228 0.000 2.195 245 Q HA 0.376 4.716 4.340 0.000 0.000 0.250 245 Q C 0.111 176.236 176.000 0.208 0.000 0.988 245 Q CA -0.658 55.302 55.803 0.261 0.000 0.911 245 Q CB 1.615 30.595 28.738 0.403 0.000 1.258 245 Q HN 0.373 nan 8.270 nan 0.000 0.475 246 K N -1.388 119.127 120.400 0.192 0.000 3.230 246 K HA -0.182 4.138 4.320 0.000 0.000 0.285 246 K C -0.448 176.339 176.600 0.312 0.000 1.196 246 K CA 0.582 56.972 56.287 0.172 0.000 0.838 246 K CB -1.946 30.555 32.500 0.002 0.000 1.262 246 K HN 0.694 nan 8.250 nan 0.000 0.492 247 A N 1.045 123.995 122.820 0.216 0.000 2.522 247 A HA 0.528 4.848 4.320 0.000 0.000 0.256 247 A C 0.972 178.487 177.584 -0.115 0.000 1.086 247 A CA 1.093 53.185 52.037 0.093 0.000 0.763 247 A CB 0.354 19.300 19.000 -0.090 0.000 1.024 247 A HN 0.658 nan 8.150 nan 0.000 0.502 248 G N 0.478 109.151 108.800 -0.212 0.000 2.325 248 G HA2 0.450 4.410 3.960 0.000 0.000 0.295 248 G HA3 0.450 4.410 3.960 0.000 0.000 0.295 248 G C -0.251 174.537 174.900 -0.185 0.000 1.274 248 G CA 0.137 44.873 45.100 -0.607 0.000 0.857 248 G HN 1.722 nan 8.290 nan 0.000 0.499 249 H N -0.892 118.045 119.070 -0.221 0.000 2.592 249 H HA 0.030 4.586 4.556 0.000 0.000 0.323 249 H C 0.697 176.158 175.328 0.221 0.000 1.117 249 H CA 1.305 57.445 56.048 0.154 0.000 1.120 249 H CB -1.092 28.866 29.762 0.328 0.000 1.561 249 H HN 1.477 nan 8.280 nan 0.000 0.409 250 A N 1.257 124.183 122.820 0.176 0.000 2.287 250 A HA 0.693 5.013 4.320 0.000 0.000 0.273 250 A C 0.313 178.087 177.584 0.317 0.000 1.091 250 A CA 0.157 52.339 52.037 0.240 0.000 0.817 250 A CB 0.804 19.899 19.000 0.158 0.000 1.069 250 A HN 0.972 nan 8.150 nan 0.000 0.492 251 S N -0.024 115.845 115.700 0.282 0.000 2.546 251 S HA 0.649 5.119 4.470 0.000 0.000 0.272 251 S C -0.817 173.923 174.600 0.234 0.000 1.140 251 S CA -0.548 57.817 58.200 0.275 0.000 0.920 251 S CB 0.731 64.012 63.200 0.135 0.000 1.083 251 S HN 0.561 nan 8.310 nan 0.000 0.476 252 I N 2.417 123.094 120.570 0.178 0.000 2.396 252 I HA 0.477 4.647 4.170 0.000 0.000 0.292 252 I C -0.388 175.849 176.117 0.201 0.000 0.999 252 I CA -0.858 60.487 61.300 0.075 0.000 1.310 252 I CB 1.669 39.511 38.000 -0.263 0.000 1.404 252 I HN 0.557 nan 8.210 nan 0.000 0.496 253 V N 6.691 126.764 119.914 0.264 0.000 2.495 253 V HA 0.346 4.466 4.120 0.000 0.000 0.298 253 V C -0.880 175.330 176.094 0.193 0.000 1.031 253 V CA -0.464 61.996 62.300 0.267 0.000 0.871 253 V CB 1.541 33.517 31.823 0.255 0.000 0.988 253 V HN 0.691 nan 8.190 nan 0.000 0.432 254 H N 4.661 123.661 119.070 -0.118 0.000 2.581 254 H HA 0.580 5.136 4.556 0.000 0.000 0.308 254 H C 0.150 175.363 175.328 -0.191 0.000 1.040 254 H CA 0.004 55.702 56.048 -0.583 0.000 1.231 254 H CB 1.033 30.156 29.762 -1.065 0.000 1.396 254 H HN 0.843 nan 8.280 nan 0.000 0.467 255 T N 1.713 116.197 114.554 -0.117 0.000 2.913 255 T HA 0.052 4.402 4.350 0.000 0.000 0.287 255 T C 1.747 176.338 174.700 -0.181 0.000 1.008 255 T CA -0.343 61.737 62.100 -0.033 0.000 1.067 255 T CB 0.573 69.371 68.868 -0.117 0.000 0.996 255 T HN 0.836 nan 8.240 nan 0.000 0.513 256 H N 0.913 120.017 119.070 0.055 0.000 2.492 256 H HA -0.097 4.459 4.556 0.000 0.000 0.296 256 H C 1.183 176.497 175.328 -0.024 0.000 1.095 256 H CA 1.636 57.664 56.048 -0.034 0.000 1.281 256 H CB -1.208 28.561 29.762 0.012 0.000 1.374 256 H HN 0.759 nan 8.280 nan 0.000 0.545 257 T N -1.542 112.743 114.554 -0.448 0.000 3.312 257 T HA 0.097 4.447 4.350 0.000 0.000 0.251 257 T C 0.146 174.804 174.700 -0.070 0.000 1.012 257 T CA 0.276 62.242 62.100 -0.222 0.000 0.925 257 T CB -0.511 68.202 68.868 -0.259 0.000 1.049 257 T HN 0.294 nan 8.240 nan 0.000 0.583 258 D N 0.839 121.209 120.400 -0.049 0.000 2.837 258 D HA -0.161 4.480 4.640 0.000 0.000 0.230 258 D C -0.472 175.896 176.300 0.112 0.000 1.152 258 D CA 0.931 54.993 54.000 0.104 0.000 0.736 258 D CB -1.196 39.673 40.800 0.116 0.000 1.084 258 D HN 0.814 nan 8.370 nan 0.000 0.429 259 E N -0.721 119.507 120.200 0.046 0.000 2.212 259 E HA 0.514 4.864 4.350 0.000 0.000 0.268 259 E C -0.456 176.147 176.600 0.005 0.000 0.902 259 E CA -0.846 55.599 56.400 0.076 0.000 0.779 259 E CB 0.912 30.709 29.700 0.162 0.000 1.172 259 E HN 0.134 nan 8.360 nan 0.000 0.409 260 W N 2.416 123.704 121.300 -0.020 0.000 2.429 260 W HA 0.461 5.121 4.660 0.000 0.000 0.314 260 W C -0.738 175.599 176.519 -0.303 0.000 1.062 260 W CA -0.326 57.031 57.345 0.021 0.000 1.211 260 W CB 0.705 30.270 29.460 0.175 0.000 1.305 260 W HN 0.389 nan 8.180 nan 0.000 0.476 261 F N 2.775 122.884 119.950 0.264 0.000 2.588 261 F HA 0.609 5.136 4.527 0.000 0.000 0.314 261 F C -0.797 175.098 175.800 0.158 0.000 1.069 261 F CA -1.290 56.808 58.000 0.164 0.000 0.931 261 F CB 1.684 40.733 39.000 0.082 0.000 1.260 261 F HN -0.040 nan 8.300 nan 0.000 0.465 262 L N 3.760 125.186 121.223 0.337 0.000 2.415 262 L HA 0.638 4.978 4.340 0.000 0.000 0.268 262 L C -0.884 176.148 176.870 0.270 0.000 0.984 262 L CA -0.661 54.326 54.840 0.245 0.000 0.853 262 L CB 1.215 43.368 42.059 0.156 0.000 1.215 262 L HN 0.455 nan 8.230 nan 0.000 0.419 263 V N 1.767 121.812 119.914 0.219 0.000 2.732 263 V HA 0.740 4.860 4.120 0.000 0.000 0.297 263 V C -0.360 175.863 176.094 0.215 0.000 1.060 263 V CA 0.151 62.533 62.300 0.138 0.000 1.038 263 V CB 1.035 32.881 31.823 0.039 0.000 1.003 263 V HN 1.014 nan 8.190 nan 0.000 0.481 264 H N 2.389 121.505 119.070 0.077 0.000 3.017 264 H HA 0.747 5.303 4.556 0.000 0.000 0.346 264 H C -0.840 174.546 175.328 0.097 0.000 1.286 264 H CA -1.078 55.033 56.048 0.105 0.000 1.120 264 H CB 1.149 30.958 29.762 0.077 0.000 1.860 264 H HN 0.918 nan 8.280 nan 0.000 0.542 265 L N -0.800 120.561 121.223 0.230 0.000 2.421 265 L HA 0.839 5.179 4.340 0.000 0.000 0.263 265 L C 0.085 177.116 176.870 0.269 0.000 1.122 265 L CA -0.186 54.755 54.840 0.168 0.000 0.804 265 L CB 1.318 43.502 42.059 0.209 0.000 1.150 265 L HN 0.920 nan 8.230 nan 0.000 0.457 266 T N 0.167 114.824 114.554 0.171 0.000 2.942 266 T HA 0.705 5.055 4.350 0.000 0.000 0.327 266 T C -0.659 174.134 174.700 0.154 0.000 1.360 266 T CA -0.094 62.131 62.100 0.208 0.000 1.055 266 T CB 1.113 70.114 68.868 0.222 0.000 1.261 266 T HN 1.188 nan 8.240 nan 0.000 0.485 267 G N 2.335 111.228 108.800 0.155 0.000 2.415 267 G HA2 0.636 4.596 3.960 0.000 0.000 0.327 267 G HA3 0.636 4.596 3.960 0.000 0.000 0.327 267 G C -0.973 174.057 174.900 0.217 0.000 1.182 267 G CA -0.726 44.468 45.100 0.158 0.000 0.924 267 G HN 0.700 nan 8.290 nan 0.000 0.470 268 R N 2.956 123.619 120.500 0.271 0.000 2.247 268 R HA 0.308 4.648 4.340 0.000 0.000 0.329 268 R C -2.525 174.010 176.300 0.392 0.000 1.014 268 R CA -1.411 54.892 56.100 0.338 0.000 0.907 268 R CB 1.622 32.176 30.300 0.423 0.000 1.146 268 R HN 0.327 nan 8.270 nan 0.000 0.499 269 P HA -0.058 nan 4.420 nan 0.000 0.266 269 P C -0.045 177.347 177.300 0.155 0.000 1.195 269 P CA 0.007 63.267 63.100 0.266 0.000 0.768 269 P CB 0.610 32.435 31.700 0.209 0.000 0.838 270 L N 4.780 126.099 121.223 0.159 0.000 2.483 270 L HA 0.073 4.413 4.340 0.000 0.000 0.277 270 L C -1.626 175.232 176.870 -0.020 0.000 1.248 270 L CA -1.390 53.443 54.840 -0.011 0.000 0.825 270 L CB -0.736 41.398 42.059 0.126 0.000 1.096 270 L HN 0.298 nan 8.230 nan 0.000 0.512 271 P HA -0.014 nan 4.420 nan 0.000 0.264 271 P C -0.508 176.795 177.300 0.005 0.000 1.179 271 P CA 0.465 63.544 63.100 -0.035 0.000 0.763 271 P CB 0.347 32.026 31.700 -0.036 0.000 0.806 272 R N 0.970 121.472 120.500 0.003 0.000 2.642 272 R HA 0.142 4.482 4.340 0.000 0.000 0.435 272 R C -0.399 175.898 176.300 -0.005 0.000 1.046 272 R CA -0.357 55.747 56.100 0.006 0.000 1.103 272 R CB 0.445 30.746 30.300 0.002 0.000 1.425 272 R HN 0.489 nan 8.270 nan 0.000 0.586 273 E N 0.407 120.604 120.200 -0.006 0.000 2.376 273 E HA 0.189 4.539 4.350 0.000 0.000 0.266 273 E C 1.162 177.756 176.600 -0.010 0.000 1.009 273 E CA 1.115 57.511 56.400 -0.008 0.000 0.902 273 E CB 0.618 30.315 29.700 -0.005 0.000 0.972 273 E HN 0.420 nan 8.360 nan 0.000 0.439 274 G N 2.777 111.570 108.800 -0.012 0.000 2.184 274 G HA2 -0.355 3.605 3.960 0.000 0.000 0.264 274 G HA3 -0.355 3.605 3.960 0.000 0.000 0.264 274 G C 0.190 175.081 174.900 -0.015 0.000 0.975 274 G CA 0.258 45.350 45.100 -0.013 0.000 0.642 274 G HN 0.486 nan 8.290 nan 0.000 0.536 275 Q N 0.546 120.337 119.800 -0.015 0.000 2.260 275 Q HA 0.483 4.823 4.340 0.000 0.000 0.242 275 Q C -2.269 173.719 176.000 -0.020 0.000 0.932 275 Q CA -1.729 54.065 55.803 -0.015 0.000 0.891 275 Q CB 0.898 29.631 28.738 -0.009 0.000 1.222 275 Q HN 0.185 nan 8.270 nan 0.000 0.453 276 P HA -0.043 nan 4.420 nan 0.000 0.271 276 P C 0.078 177.352 177.300 -0.043 0.000 1.220 276 P CA -0.132 62.951 63.100 -0.027 0.000 0.768 276 P CB 0.579 32.267 31.700 -0.020 0.000 0.848 277 L N 4.123 125.313 121.223 -0.055 0.000 2.012 277 L HA -0.165 4.175 4.340 0.000 0.000 0.210 277 L C 1.563 178.365 176.870 -0.114 0.000 1.073 277 L CA 2.025 56.818 54.840 -0.079 0.000 0.748 277 L CB -0.565 41.447 42.059 -0.078 0.000 0.891 277 L HN 0.397 nan 8.230 nan 0.000 0.431 278 L N -1.767 119.393 121.223 -0.105 0.000 2.590 278 L HA 0.095 4.435 4.340 0.000 0.000 0.227 278 L C 2.096 178.905 176.870 -0.101 0.000 1.099 278 L CA -0.100 54.663 54.840 -0.128 0.000 0.872 278 L CB -0.046 41.944 42.059 -0.115 0.000 1.088 278 L HN 0.213 nan 8.230 nan 0.000 0.479 279 E N 0.914 121.077 120.200 -0.062 0.000 2.005 279 E HA -0.193 4.157 4.350 0.000 0.000 0.198 279 E C 0.431 177.030 176.600 -0.002 0.000 1.010 279 E CA 1.544 57.934 56.400 -0.018 0.000 0.825 279 E CB 0.073 29.776 29.700 0.005 0.000 0.769 279 E HN 0.393 nan 8.360 nan 0.000 0.456 280 H N -1.249 117.751 119.070 -0.118 0.000 2.609 280 H HA 0.445 5.001 4.556 0.000 0.000 0.344 280 H C 0.000 175.149 175.328 -0.299 0.000 1.040 280 H CA -0.584 55.354 56.048 -0.183 0.000 1.216 280 H CB 1.063 30.742 29.762 -0.138 0.000 1.529 280 H HN -0.011 nan 8.280 nan 0.000 0.519 281 R N 2.968 122.989 120.500 -0.800 0.000 2.310 281 R HA 0.267 4.607 4.340 0.000 0.000 0.202 281 R C 0.062 175.959 176.300 -0.672 0.000 0.933 281 R CA 0.476 56.059 56.100 -0.861 0.000 1.054 281 R CB 0.558 30.041 30.300 -1.362 0.000 0.985 281 R HN 0.847 nan 8.270 nan 0.000 0.489 282 G N -0.537 108.008 108.800 -0.425 0.000 2.347 282 G HA2 -0.091 3.869 3.960 0.000 0.000 0.477 282 G HA3 -0.091 3.869 3.960 0.000 0.000 0.477 282 G C -1.815 173.055 174.900 -0.051 0.000 1.349 282 G CA -1.058 44.009 45.100 -0.055 0.000 1.000 282 G HN 0.061 nan 8.290 nan 0.000 0.605 283 Y N -1.048 119.453 120.300 0.336 0.000 2.364 283 Y HA 0.574 5.124 4.550 0.000 0.000 0.340 283 Y C 0.515 176.606 175.900 0.317 0.000 0.975 283 Y CA -0.710 57.598 58.100 0.347 0.000 1.089 283 Y CB 2.257 40.920 38.460 0.338 0.000 1.192 283 Y HN 0.659 nan 8.280 nan 0.000 0.454 284 C N 5.399 124.954 119.300 0.426 0.000 2.621 284 C HA 0.215 4.675 4.460 0.000 0.000 0.272 284 C C -1.223 173.960 174.990 0.322 0.000 1.119 284 C CA -1.422 57.818 59.018 0.369 0.000 1.593 284 C CB 0.043 27.952 27.740 0.281 0.000 1.749 284 C HN 0.670 nan 8.230 nan 0.000 0.420 285 P HA -0.088 nan 4.420 nan 0.000 0.221 285 P C 1.070 178.467 177.300 0.161 0.000 1.150 285 P CA 1.246 64.481 63.100 0.225 0.000 0.800 285 P CB 0.237 32.117 31.700 0.299 0.000 0.787 286 L N -1.639 119.701 121.223 0.195 0.000 2.610 286 L HA 0.160 4.500 4.340 0.000 0.000 0.232 286 L C 1.617 178.548 176.870 0.101 0.000 1.149 286 L CA 0.437 55.325 54.840 0.080 0.000 0.872 286 L CB -1.349 40.647 42.059 -0.104 0.000 0.992 286 L HN 0.109 nan 8.230 nan 0.000 0.447 287 G N 1.112 110.006 108.800 0.157 0.000 2.552 287 G HA2 -0.309 3.651 3.960 0.000 0.000 0.265 287 G HA3 -0.309 3.651 3.960 0.000 0.000 0.265 287 G C -0.107 174.889 174.900 0.160 0.000 1.234 287 G CA -0.335 44.865 45.100 0.167 0.000 0.944 287 G HN 0.348 nan 8.290 nan 0.000 0.568 288 R N 1.230 121.836 120.500 0.176 0.000 2.221 288 R HA 0.505 4.845 4.340 0.000 0.000 0.327 288 R C 0.198 176.586 176.300 0.147 0.000 1.033 288 R CA -0.215 55.978 56.100 0.155 0.000 0.887 288 R CB 1.098 31.488 30.300 0.149 0.000 1.057 288 R HN 0.615 nan 8.270 nan 0.000 0.455 289 E N 0.704 120.960 120.200 0.094 0.000 2.243 289 E HA 0.312 4.662 4.350 0.000 0.000 0.260 289 E C -0.593 175.981 176.600 -0.042 0.000 0.985 289 E CA -0.804 55.615 56.400 0.033 0.000 0.858 289 E CB 1.797 31.496 29.700 -0.001 0.000 1.210 289 E HN 0.330 nan 8.360 nan 0.000 0.411 290 T N 0.862 115.322 114.554 -0.157 0.000 2.795 290 T HA 0.628 4.978 4.350 0.000 0.000 0.282 290 T C -0.694 173.811 174.700 -0.326 0.000 0.980 290 T CA -0.580 61.363 62.100 -0.262 0.000 1.012 290 T CB 1.221 69.866 68.868 -0.373 0.000 0.936 290 T HN 0.502 nan 8.240 nan 0.000 0.457 291 A N 2.919 125.472 122.820 -0.445 0.000 2.479 291 A HA 0.906 5.226 4.320 0.000 0.000 0.296 291 A C -1.256 176.102 177.584 -0.377 0.000 1.121 291 A CA -0.839 50.945 52.037 -0.422 0.000 0.743 291 A CB 1.291 20.032 19.000 -0.433 0.000 1.323 291 A HN 0.873 nan 8.150 nan 0.000 0.415 292 I N -0.068 120.442 120.570 -0.101 0.000 2.545 292 I HA 0.532 4.702 4.170 0.000 0.000 0.292 292 I C -1.182 175.069 176.117 0.223 0.000 1.040 292 I CA -0.433 60.918 61.300 0.084 0.000 1.068 292 I CB 1.880 39.923 38.000 0.072 0.000 1.251 292 I HN 0.605 nan 8.210 nan 0.000 0.424 293 Q N 6.246 126.230 119.800 0.307 0.000 2.394 293 Q HA 0.427 4.767 4.340 0.000 0.000 0.273 293 Q C -1.036 175.130 176.000 0.277 0.000 1.089 293 Q CA -0.768 55.189 55.803 0.257 0.000 0.812 293 Q CB 2.493 31.334 28.738 0.172 0.000 1.353 293 Q HN 0.650 nan 8.270 nan 0.000 0.438 294 R N 1.866 122.475 120.500 0.180 0.000 2.390 294 R HA 0.471 4.811 4.340 0.000 0.000 0.291 294 R C -0.721 175.512 176.300 -0.111 0.000 1.070 294 R CA -0.208 55.840 56.100 -0.087 0.000 1.014 294 R CB 0.439 30.673 30.300 -0.110 0.000 1.007 294 R HN 0.523 nan 8.270 nan 0.000 0.466 295 L N 3.529 124.642 121.223 -0.184 0.000 2.334 295 L HA 0.417 4.757 4.340 0.000 0.000 0.275 295 L C 0.187 177.004 176.870 -0.089 0.000 1.036 295 L CA -0.511 54.255 54.840 -0.123 0.000 0.807 295 L CB 1.778 43.768 42.059 -0.115 0.000 1.231 295 L HN 0.782 nan 8.230 nan 0.000 0.438 296 E N 0.343 120.481 120.200 -0.105 0.000 2.412 296 E HA 0.578 4.928 4.350 0.000 0.000 0.255 296 E C -1.774 174.731 176.600 -0.158 0.000 0.933 296 E CA -0.923 55.471 56.400 -0.010 0.000 0.823 296 E CB 1.373 31.082 29.700 0.016 0.000 1.352 296 E HN 0.328 nan 8.360 nan 0.000 0.406 297 W N -0.278 120.994 121.300 -0.046 0.000 2.915 297 W HA 0.508 5.168 4.660 0.000 0.000 0.337 297 W C -0.864 175.658 176.519 0.005 0.000 1.102 297 W CA -0.568 56.754 57.345 -0.039 0.000 1.224 297 W CB 2.266 31.609 29.460 -0.194 0.000 1.416 297 W HN 0.308 nan 8.180 nan 0.000 0.503 298 K N 2.305 122.888 120.400 0.303 0.000 2.535 298 K HA 0.184 4.504 4.320 0.000 0.000 0.251 298 K C -0.874 175.905 176.600 0.298 0.000 0.942 298 K CA -0.845 55.555 56.287 0.189 0.000 0.798 298 K CB 2.363 34.834 32.500 -0.049 0.000 1.267 298 K HN 0.526 nan 8.250 nan 0.000 0.434 299 D N 1.204 121.728 120.400 0.206 0.000 2.882 299 D HA -0.217 4.424 4.640 0.000 0.000 0.229 299 D C 0.754 177.146 176.300 0.153 0.000 1.167 299 D CA 1.979 56.097 54.000 0.196 0.000 0.759 299 D CB -0.979 39.965 40.800 0.240 0.000 1.088 299 D HN 1.139 nan 8.370 nan 0.000 0.425 300 G N -1.496 107.406 108.800 0.169 0.000 2.141 300 G HA2 -0.284 3.676 3.960 0.000 0.000 0.242 300 G HA3 -0.284 3.676 3.960 0.000 0.000 0.242 300 G C -0.161 174.705 174.900 -0.057 0.000 0.982 300 G CA 0.228 45.381 45.100 0.088 0.000 0.662 300 G HN 0.325 nan 8.290 nan 0.000 0.527 301 W N 1.005 122.409 121.300 0.174 0.000 2.656 301 W HA 0.581 5.241 4.660 0.000 0.000 0.327 301 W C -2.039 174.158 176.519 -0.535 0.000 1.041 301 W CA -2.607 54.599 57.345 -0.233 0.000 1.229 301 W CB 2.044 31.171 29.460 -0.555 0.000 1.397 301 W HN -0.055 nan 8.180 nan 0.000 0.479 302 P HA 0.181 nan 4.420 nan 0.000 0.278 302 P C -1.399 175.594 177.300 -0.513 0.000 1.238 302 P CA 0.060 62.430 63.100 -1.217 0.000 0.794 302 P CB 1.110 31.982 31.700 -1.380 0.000 0.955 303 Y N -0.385 119.682 120.300 -0.388 0.000 2.512 303 Y HA 0.349 4.899 4.550 0.000 0.000 0.348 303 Y C 0.233 176.018 175.900 -0.192 0.000 0.990 303 Y CA -1.249 56.742 58.100 -0.181 0.000 1.033 303 Y CB 2.122 40.524 38.460 -0.096 0.000 1.259 303 Y HN 0.022 nan 8.280 nan 0.000 0.461 304 V N 3.439 123.349 119.914 -0.006 0.000 2.546 304 V HA 0.183 4.303 4.120 0.000 0.000 0.284 304 V C -0.215 175.880 176.094 0.001 0.000 1.050 304 V CA -0.874 61.408 62.300 -0.030 0.000 0.981 304 V CB 1.242 33.028 31.823 -0.061 0.000 0.990 304 V HN 0.503 nan 8.190 nan 0.000 0.474 305 V N 4.930 124.838 119.914 -0.009 0.000 2.479 305 V HA 0.455 4.575 4.120 0.000 0.000 0.281 305 V C 1.301 177.387 176.094 -0.012 0.000 1.031 305 V CA 1.363 63.659 62.300 -0.007 0.000 1.038 305 V CB 0.140 31.959 31.823 -0.006 0.000 0.981 305 V HN 1.287 nan 8.190 nan 0.000 0.478 306 G N 3.195 111.984 108.800 -0.018 0.000 2.159 306 G HA2 0.228 4.188 3.960 0.000 0.000 0.227 306 G HA3 0.228 4.188 3.960 0.000 0.000 0.227 306 G C 0.665 175.529 174.900 -0.061 0.000 0.986 306 G CA -0.132 44.947 45.100 -0.035 0.000 0.651 306 G HN 2.243 nan 8.290 nan 0.000 0.523 307 G N -0.483 108.295 108.800 -0.037 0.000 2.408 307 G HA2 0.344 4.304 3.960 0.000 0.000 0.682 307 G HA3 0.344 4.304 3.960 0.000 0.000 0.682 307 G C 0.205 175.078 174.900 -0.044 0.000 1.303 307 G CA 0.397 45.477 45.100 -0.033 0.000 0.966 307 G HN 1.653 nan 8.290 nan 0.000 0.560 308 N N -0.111 118.585 118.700 -0.007 0.000 2.461 308 N HA 0.280 5.020 4.740 0.000 0.000 0.188 308 N C 1.051 176.545 175.510 -0.027 0.000 1.134 308 N CA 1.171 54.210 53.050 -0.018 0.000 0.878 308 N CB 0.048 38.532 38.487 -0.006 0.000 0.972 308 N HN 1.195 nan 8.380 nan 0.000 0.456 309 G N 0.936 109.617 108.800 -0.197 0.000 2.444 309 G HA2 0.412 4.372 3.960 0.000 0.000 0.268 309 G HA3 0.412 4.372 3.960 0.000 0.000 0.268 309 G C -2.627 172.143 174.900 -0.216 0.000 1.203 309 G CA -1.125 43.764 45.100 -0.351 0.000 0.835 309 G HN 0.131 nan 8.290 nan 0.000 0.543 310 P HA 0.195 nan 4.420 nan 0.000 0.275 310 P C -0.275 177.015 177.300 -0.016 0.000 1.227 310 P CA -0.221 62.853 63.100 -0.042 0.000 0.781 310 P CB 1.346 33.072 31.700 0.042 0.000 0.906 311 S N 2.267 117.982 115.700 0.024 0.000 2.554 311 S HA 0.153 4.624 4.470 0.000 0.000 0.278 311 S C 1.279 175.919 174.600 0.066 0.000 1.242 311 S CA -0.502 57.714 58.200 0.026 0.000 1.051 311 S CB 0.871 64.088 63.200 0.027 0.000 0.986 311 S HN 0.410 nan 8.310 nan 0.000 0.502 312 L N 2.033 123.289 121.223 0.055 0.000 2.141 312 L HA 0.211 4.551 4.340 0.000 0.000 0.209 312 L C 0.697 177.607 176.870 0.067 0.000 1.094 312 L CA 1.694 56.575 54.840 0.069 0.000 0.763 312 L CB -0.113 41.983 42.059 0.063 0.000 0.908 312 L HN 0.752 nan 8.230 nan 0.000 0.437 313 E N -0.715 119.522 120.200 0.061 0.000 2.293 313 E HA 0.524 4.874 4.350 0.000 0.000 0.270 313 E C -1.032 175.610 176.600 0.070 0.000 0.879 313 E CA -0.658 55.778 56.400 0.061 0.000 0.756 313 E CB 1.685 31.415 29.700 0.050 0.000 1.208 313 E HN 0.229 nan 8.360 nan 0.000 0.428 314 I N -1.093 119.529 120.570 0.086 0.000 3.445 314 I HA 0.602 4.772 4.170 0.000 0.000 0.303 314 I C -0.933 175.251 176.117 0.112 0.000 1.129 314 I CA -1.013 60.355 61.300 0.113 0.000 0.989 314 I CB 2.058 40.163 38.000 0.176 0.000 1.314 314 I HN 0.209 nan 8.210 nan 0.000 0.488 315 D N 2.250 122.737 120.400 0.145 0.000 2.329 315 D HA 0.391 5.031 4.640 0.000 0.000 0.232 315 D C 0.180 176.626 176.300 0.242 0.000 1.088 315 D CA 0.078 54.163 54.000 0.142 0.000 0.835 315 D CB 1.816 42.682 40.800 0.109 0.000 1.078 315 D HN 0.848 nan 8.370 nan 0.000 0.495 316 G N 2.800 111.679 108.800 0.133 0.000 2.611 316 G HA2 0.299 4.259 3.960 0.000 0.000 0.273 316 G HA3 0.299 4.259 3.960 0.000 0.000 0.273 316 G C -2.144 172.822 174.900 0.110 0.000 1.305 316 G CA -0.678 44.438 45.100 0.026 0.000 1.010 316 G HN 0.252 nan 8.290 nan 0.000 0.509 317 P HA 0.125 nan 4.420 nan 0.000 0.274 317 P C 0.063 177.363 177.300 0.000 0.000 1.260 317 P CA -0.201 62.910 63.100 0.017 0.000 0.793 317 P CB 0.681 32.271 31.700 -0.183 0.000 1.048 318 S N -0.691 115.009 115.700 -0.001 0.000 3.729 318 S HA 0.443 4.913 4.470 0.000 0.000 0.235 318 S C 0.263 174.857 174.600 -0.010 0.000 1.367 318 S CA -0.545 57.653 58.200 -0.002 0.000 0.907 318 S CB -1.421 61.785 63.200 0.010 0.000 1.471 318 S HN 0.386 nan 8.310 nan 0.000 0.476 319 V N -1.246 118.660 119.914 -0.014 0.000 3.160 319 V HA 0.727 4.847 4.120 0.000 0.000 0.310 319 V C -0.710 175.367 176.094 -0.028 0.000 1.181 319 V CA -1.323 60.981 62.300 0.006 0.000 1.047 319 V CB 1.440 33.284 31.823 0.035 0.000 1.068 319 V HN 0.403 nan 8.190 nan 0.000 0.441 320 E N 0.928 121.109 120.200 -0.032 0.000 2.283 320 E HA 0.278 4.628 4.350 0.000 0.000 0.278 320 E C -0.119 176.417 176.600 -0.106 0.000 1.027 320 E CA -0.129 56.235 56.400 -0.060 0.000 0.843 320 E CB 1.080 30.747 29.700 -0.054 0.000 1.062 320 E HN 0.808 nan 8.360 nan 0.000 0.401 321 E N 2.499 122.625 120.200 -0.122 0.000 2.493 321 E HA 0.046 4.396 4.350 0.000 0.000 0.255 321 E C -0.940 175.508 176.600 -0.254 0.000 0.999 321 E CA -0.035 56.260 56.400 -0.176 0.000 0.934 321 E CB 0.462 30.075 29.700 -0.146 0.000 0.940 321 E HN 0.195 nan 8.360 nan 0.000 0.473 322 V N 4.956 124.645 119.914 -0.376 0.000 2.257 322 V HA 0.106 4.226 4.120 0.000 0.000 0.269 322 V C 0.105 175.643 176.094 -0.927 0.000 1.040 322 V CA -0.588 61.344 62.300 -0.613 0.000 0.813 322 V CB 0.951 32.377 31.823 -0.662 0.000 1.065 322 V HN 0.581 nan 8.190 nan 0.000 0.457 323 S N 3.234 118.547 115.700 -0.646 0.000 2.589 323 S HA 0.421 4.891 4.470 0.000 0.000 0.265 323 S C -0.528 173.648 174.600 -0.706 0.000 1.342 323 S CA -0.082 57.792 58.200 -0.544 0.000 1.005 323 S CB 0.581 63.635 63.200 -0.244 0.000 0.909 323 S HN 0.666 nan 8.310 nan 0.000 0.555 324 W N 0.373 121.673 121.300 0.000 0.000 2.844 324 W HA 0.425 5.086 4.660 0.000 0.000 0.340 324 W C 0.091 176.631 176.519 0.035 0.000 1.093 324 W CA -0.815 56.546 57.345 0.026 0.000 1.212 324 W CB 0.732 30.225 29.460 0.055 0.000 1.422 324 W HN 0.556 nan 8.180 nan 0.000 0.515 325 E N 2.610 122.991 120.200 0.300 0.000 2.384 325 E HA -0.000 4.350 4.350 0.000 0.000 0.266 325 E C 0.098 176.794 176.600 0.161 0.000 1.012 325 E CA -0.322 56.178 56.400 0.166 0.000 0.901 325 E CB 0.696 30.471 29.700 0.126 0.000 0.967 325 E HN 0.312 nan 8.360 nan 0.000 0.435 326 K N 3.108 123.563 120.400 0.091 0.000 2.473 326 K HA -0.113 4.207 4.320 0.000 0.000 0.277 326 K C 0.091 176.727 176.600 0.061 0.000 1.052 326 K CA 0.361 56.679 56.287 0.052 0.000 1.114 326 K CB 0.306 32.755 32.500 -0.085 0.000 0.869 326 K HN 0.439 nan 8.250 nan 0.000 0.481 327 D N 3.748 124.254 120.400 0.177 0.000 2.342 327 D HA -0.004 4.636 4.640 0.000 0.000 0.221 327 D C -0.491 175.911 176.300 0.169 0.000 1.101 327 D CA 0.008 54.102 54.000 0.157 0.000 0.837 327 D CB -0.345 40.595 40.800 0.234 0.000 0.938 327 D HN 0.479 nan 8.370 nan 0.000 0.508 328 Y N -2.283 118.049 120.300 0.054 0.000 2.581 328 Y HA 0.515 5.065 4.550 0.000 0.000 0.337 328 Y C -1.409 174.523 175.900 0.053 0.000 1.108 328 Y CA -1.491 56.633 58.100 0.040 0.000 1.033 328 Y CB 0.881 39.411 38.460 0.116 0.000 1.318 328 Y HN -0.361 nan 8.280 nan 0.000 0.459 329 D N 3.049 123.495 120.400 0.077 0.000 2.264 329 D HA 0.061 4.701 4.640 0.000 0.000 0.250 329 D C 0.730 177.071 176.300 0.069 0.000 1.113 329 D CA -0.007 53.987 54.000 -0.011 0.000 0.871 329 D CB 2.028 42.837 40.800 0.015 0.000 1.167 329 D HN 0.959 nan 8.370 nan 0.000 0.447 330 E N 2.487 122.658 120.200 -0.048 0.000 2.049 330 E HA -0.204 4.146 4.350 0.000 0.000 0.198 330 E C 0.283 176.934 176.600 0.084 0.000 1.007 330 E CA 1.160 57.584 56.400 0.040 0.000 0.809 330 E CB 0.294 29.966 29.700 -0.047 0.000 0.749 330 E HN 0.240 nan 8.360 nan 0.000 0.450 331 K N 1.227 121.630 120.400 0.005 0.000 2.334 331 K HA 0.106 4.426 4.320 0.000 0.000 0.265 331 K C -1.641 174.948 176.600 -0.018 0.000 1.039 331 K CA -0.280 55.989 56.287 -0.030 0.000 0.920 331 K CB 1.026 33.418 32.500 -0.179 0.000 1.160 331 K HN -0.114 nan 8.250 nan 0.000 0.451 332 D N 3.318 123.736 120.400 0.029 0.000 2.428 332 D HA 0.067 4.707 4.640 0.000 0.000 0.221 332 D C 0.086 176.182 176.300 -0.341 0.000 1.123 332 D CA -0.144 53.791 54.000 -0.109 0.000 0.869 332 D CB 0.924 41.698 40.800 -0.045 0.000 1.032 332 D HN 0.447 nan 8.370 nan 0.000 0.506 333 D N 3.091 123.394 120.400 -0.161 0.000 2.352 333 D HA -0.063 4.577 4.640 0.000 0.000 0.232 333 D C 0.083 176.401 176.300 0.030 0.000 1.055 333 D CA 0.124 54.091 54.000 -0.055 0.000 0.891 333 D CB 0.083 40.876 40.800 -0.011 0.000 0.897 333 D HN 0.470 nan 8.370 nan 0.000 0.529 334 F N 0.458 120.493 119.950 0.142 0.000 2.969 334 F HA -0.223 4.304 4.527 0.000 0.000 0.273 334 F C 1.018 176.861 175.800 0.073 0.000 0.986 334 F CA 0.022 58.089 58.000 0.112 0.000 0.926 334 F CB -1.826 37.240 39.000 0.110 0.000 0.887 334 F HN 0.037 nan 8.300 nan 0.000 0.816 335 D N -0.522 119.985 120.400 0.178 0.000 2.327 335 D HA 0.109 4.749 4.640 0.000 0.000 0.205 335 D C 1.819 178.186 176.300 0.113 0.000 0.989 335 D CA 1.068 55.140 54.000 0.121 0.000 0.873 335 D CB 0.064 40.906 40.800 0.071 0.000 0.955 335 D HN 0.462 nan 8.370 nan 0.000 0.515 336 G N 1.329 110.204 108.800 0.126 0.000 2.634 336 G HA2 0.095 4.055 3.960 0.000 0.000 0.255 336 G HA3 0.095 4.055 3.960 0.000 0.000 0.255 336 G C 0.655 175.618 174.900 0.106 0.000 1.205 336 G CA -0.215 44.946 45.100 0.101 0.000 0.884 336 G HN 0.022 nan 8.290 nan 0.000 0.549 337 D N -1.886 118.559 120.400 0.075 0.000 2.360 337 D HA 0.022 4.662 4.640 0.000 0.000 0.210 337 D C 1.001 177.337 176.300 0.060 0.000 1.047 337 D CA 0.598 54.636 54.000 0.064 0.000 0.854 337 D CB -0.014 40.813 40.800 0.046 0.000 0.936 337 D HN 0.417 nan 8.370 nan 0.000 0.514 338 T N -2.193 112.402 114.554 0.069 0.000 2.901 338 T HA 0.611 4.961 4.350 0.000 0.000 0.293 338 T C -0.147 174.617 174.700 0.106 0.000 1.084 338 T CA -0.994 61.147 62.100 0.068 0.000 1.008 338 T CB 1.779 70.675 68.868 0.047 0.000 1.170 338 T HN -0.036 nan 8.240 nan 0.000 0.509 339 L N 2.182 123.476 121.223 0.117 0.000 2.326 339 L HA 0.353 4.693 4.340 0.000 0.000 0.278 339 L C 1.269 178.258 176.870 0.199 0.000 1.092 339 L CA -0.798 54.165 54.840 0.205 0.000 0.810 339 L CB 0.658 42.828 42.059 0.185 0.000 1.153 339 L HN 0.784 nan 8.230 nan 0.000 0.439 340 N N 2.263 121.125 118.700 0.270 0.000 2.219 340 N HA -0.158 4.582 4.740 0.000 0.000 0.263 340 N C 1.168 176.707 175.510 0.048 0.000 1.269 340 N CA 0.100 53.194 53.050 0.073 0.000 0.831 340 N CB 0.412 38.937 38.487 0.064 0.000 1.059 340 N HN 0.762 nan 8.380 nan 0.000 0.475 341 H N 2.206 121.195 119.070 -0.135 0.000 2.568 341 H HA -0.065 4.492 4.556 0.000 0.000 0.281 341 H C 0.305 175.495 175.328 -0.231 0.000 1.028 341 H CA 0.369 56.306 56.048 -0.185 0.000 1.199 341 H CB 0.055 29.669 29.762 -0.247 0.000 1.352 341 H HN 0.601 nan 8.280 nan 0.000 0.605 342 H N 0.214 119.294 119.070 0.016 0.000 2.563 342 H HA 0.114 4.670 4.556 0.000 0.000 0.264 342 H C -0.282 174.803 175.328 -0.406 0.000 0.957 342 H CA -0.345 55.527 56.048 -0.293 0.000 1.173 342 H CB 0.013 29.476 29.762 -0.499 0.000 1.420 342 H HN 0.235 nan 8.280 nan 0.000 0.551 343 F N 1.732 121.696 119.950 0.023 0.000 2.420 343 F HA 0.296 4.823 4.527 0.000 0.000 0.352 343 F C 0.850 176.639 175.800 -0.018 0.000 1.108 343 F CA -0.365 57.595 58.000 -0.067 0.000 1.162 343 F CB 0.902 39.847 39.000 -0.091 0.000 1.118 343 F HN -0.107 nan 8.300 nan 0.000 0.510 344 Q N 0.759 120.667 119.800 0.180 0.000 2.252 344 Q HA 0.618 4.958 4.340 0.000 0.000 0.256 344 Q C -0.291 175.888 176.000 0.298 0.000 1.020 344 Q CA -1.001 54.945 55.803 0.238 0.000 0.913 344 Q CB 2.324 31.235 28.738 0.287 0.000 1.286 344 Q HN 0.727 nan 8.270 nan 0.000 0.480 345 T N -2.401 112.372 114.554 0.365 0.000 2.942 345 T HA 0.577 4.927 4.350 0.000 0.000 0.289 345 T C -0.297 174.485 174.700 0.138 0.000 1.044 345 T CA -0.866 61.367 62.100 0.221 0.000 1.023 345 T CB 0.566 69.505 68.868 0.119 0.000 1.123 345 T HN 0.375 nan 8.240 nan 0.000 0.512 346 L N 2.958 124.103 121.223 -0.130 0.000 2.342 346 L HA 0.394 4.734 4.340 0.000 0.000 0.285 346 L C 1.397 178.139 176.870 -0.213 0.000 1.095 346 L CA -0.316 54.290 54.840 -0.391 0.000 0.843 346 L CB -0.044 41.762 42.059 -0.422 0.000 1.201 346 L HN 0.884 nan 8.230 nan 0.000 0.445 347 R N 1.320 121.726 120.500 -0.157 0.000 1.680 347 R HA -0.267 4.073 4.340 0.000 0.000 0.092 347 R C 0.241 176.455 176.300 -0.144 0.000 0.930 347 R CA 2.166 58.214 56.100 -0.088 0.000 1.943 347 R CB -1.304 28.895 30.300 -0.169 0.000 0.490 347 R HN 0.693 nan 8.270 nan 0.000 0.707 348 I N -0.284 120.114 120.570 -0.287 0.000 2.693 348 I HA 0.598 4.768 4.170 0.000 0.000 0.303 348 I C -2.500 173.228 176.117 -0.649 0.000 1.025 348 I CA -2.806 58.149 61.300 -0.575 0.000 1.086 348 I CB 1.976 39.778 38.000 -0.331 0.000 1.268 348 I HN -0.181 nan 8.210 nan 0.000 0.440 349 P HA 0.174 nan 4.420 nan 0.000 0.271 349 P C -1.001 176.188 177.300 -0.186 0.000 1.216 349 P CA 0.008 62.881 63.100 -0.379 0.000 0.776 349 P CB 0.965 32.495 31.700 -0.282 0.000 0.881 350 L N 2.821 124.002 121.223 -0.071 0.000 2.255 350 L HA 0.395 4.735 4.340 0.000 0.000 0.289 350 L C 1.442 178.289 176.870 -0.037 0.000 1.046 350 L CA -0.447 54.358 54.840 -0.058 0.000 0.816 350 L CB 0.961 42.993 42.059 -0.045 0.000 1.197 350 L HN 0.464 nan 8.230 nan 0.000 0.427 351 G N 1.546 110.318 108.800 -0.048 0.000 2.588 351 G HA2 0.086 4.046 3.960 0.000 0.000 0.278 351 G HA3 0.086 4.046 3.960 0.000 0.000 0.278 351 G C 0.689 175.572 174.900 -0.028 0.000 1.307 351 G CA -0.331 44.746 45.100 -0.038 0.000 1.016 351 G HN 0.636 nan 8.290 nan 0.000 0.503 352 E N 0.406 120.589 120.200 -0.029 0.000 2.153 352 E HA -0.153 4.197 4.350 0.000 0.000 0.194 352 E C 2.125 178.696 176.600 -0.048 0.000 0.988 352 E CA 1.423 57.812 56.400 -0.019 0.000 0.811 352 E CB -0.118 29.567 29.700 -0.024 0.000 0.746 352 E HN 0.686 nan 8.360 nan 0.000 0.466 353 D N -0.147 120.181 120.400 -0.120 0.000 2.350 353 D HA -0.124 4.516 4.640 0.000 0.000 0.216 353 D C 1.740 177.890 176.300 -0.250 0.000 0.968 353 D CA 0.675 54.516 54.000 -0.266 0.000 0.894 353 D CB -0.150 40.521 40.800 -0.214 0.000 0.909 353 D HN 0.298 nan 8.370 nan 0.000 0.520 354 I N -0.410 120.144 120.570 -0.027 0.000 3.739 354 I HA 0.235 4.405 4.170 0.000 0.000 0.272 354 I C 0.742 176.967 176.117 0.180 0.000 1.167 354 I CA 0.088 61.447 61.300 0.099 0.000 1.386 354 I CB 0.342 38.349 38.000 0.011 0.000 1.490 354 I HN -0.037 nan 8.210 nan 0.000 0.452 355 A N 0.519 123.382 122.820 0.071 0.000 2.304 355 A HA 0.738 5.058 4.320 0.000 0.000 0.314 355 A C -0.462 177.135 177.584 0.022 0.000 1.187 355 A CA -0.211 51.836 52.037 0.016 0.000 0.810 355 A CB 1.142 20.110 19.000 -0.054 0.000 1.183 355 A HN 0.096 nan 8.150 nan 0.000 0.487 356 T N 1.931 116.493 114.554 0.014 0.000 2.982 356 T HA 0.502 4.852 4.350 0.000 0.000 0.321 356 T C -0.170 174.515 174.700 -0.024 0.000 1.229 356 T CA -0.375 61.734 62.100 0.016 0.000 1.044 356 T CB 0.738 69.653 68.868 0.078 0.000 1.184 356 T HN 0.445 nan 8.240 nan 0.000 0.477 357 L N 3.240 124.459 121.223 -0.006 0.000 2.693 357 L HA 0.404 4.744 4.340 0.000 0.000 0.235 357 L C 2.133 179.031 176.870 0.046 0.000 1.127 357 L CA -0.013 54.835 54.840 0.014 0.000 0.914 357 L CB 0.134 42.217 42.059 0.040 0.000 1.193 357 L HN 0.544 nan 8.230 nan 0.000 0.502 358 K N 0.298 120.719 120.400 0.034 0.000 2.211 358 K HA 0.139 4.459 4.320 0.000 0.000 0.201 358 K C 2.131 178.748 176.600 0.028 0.000 1.052 358 K CA 0.884 57.192 56.287 0.035 0.000 0.973 358 K CB 0.140 32.656 32.500 0.027 0.000 0.766 358 K HN 0.207 nan 8.250 nan 0.000 0.466 359 A N 1.403 124.233 122.820 0.015 0.000 2.014 359 A HA -0.053 4.268 4.320 0.000 0.000 0.218 359 A C 1.116 178.681 177.584 -0.032 0.000 1.163 359 A CA 0.814 52.844 52.037 -0.012 0.000 0.652 359 A CB -0.014 18.974 19.000 -0.021 0.000 0.808 359 A HN 0.103 nan 8.150 nan 0.000 0.449 360 R N -0.060 120.438 120.500 -0.004 0.000 2.468 360 R HA 0.411 4.751 4.340 0.000 0.000 0.302 360 R C -3.234 173.165 176.300 0.165 0.000 1.041 360 R CA -2.180 53.942 56.100 0.036 0.000 0.899 360 R CB 0.975 31.245 30.300 -0.050 0.000 1.167 360 R HN -0.089 nan 8.270 nan 0.000 0.483 361 P HA 0.017 nan 4.420 nan 0.000 0.257 361 P C 0.371 177.850 177.300 0.298 0.000 1.162 361 P CA 1.686 64.897 63.100 0.184 0.000 0.762 361 P CB 0.627 32.413 31.700 0.142 0.000 0.753 362 G N 1.789 110.706 108.800 0.196 0.000 2.143 362 G HA2 -0.215 3.745 3.960 0.000 0.000 0.248 362 G HA3 -0.215 3.745 3.960 0.000 0.000 0.248 362 G C -0.216 174.610 174.900 -0.124 0.000 0.991 362 G CA -0.100 45.036 45.100 0.061 0.000 0.689 362 G HN 0.716 nan 8.290 nan 0.000 0.522 363 H N -1.996 117.198 119.070 0.207 0.000 2.930 363 H HA 0.601 5.157 4.556 0.000 0.000 0.371 363 H C -0.567 174.775 175.328 0.023 0.000 1.169 363 H CA -0.943 55.225 56.048 0.200 0.000 1.157 363 H CB 1.579 31.430 29.762 0.149 0.000 1.789 363 H HN 0.262 nan 8.280 nan 0.000 0.547 364 L N 2.461 123.646 121.223 -0.063 0.000 2.268 364 L HA 0.343 4.683 4.340 0.000 0.000 0.289 364 L C -0.259 176.586 176.870 -0.041 0.000 1.064 364 L CA -0.174 54.465 54.840 -0.335 0.000 0.824 364 L CB 0.061 41.486 42.059 -1.058 0.000 1.202 364 L HN 0.467 nan 8.230 nan 0.000 0.433 365 R N 4.970 125.420 120.500 -0.084 0.000 2.242 365 R HA 0.299 4.639 4.340 0.000 0.000 0.334 365 R C -1.187 175.031 176.300 -0.137 0.000 1.071 365 R CA -0.667 55.337 56.100 -0.160 0.000 0.922 365 R CB 0.609 30.720 30.300 -0.315 0.000 1.023 365 R HN 0.438 nan 8.270 nan 0.000 0.458 366 L N 5.460 126.653 121.223 -0.050 0.000 2.265 366 L HA 0.294 4.635 4.340 0.000 0.000 0.289 366 L C -0.618 176.207 176.870 -0.076 0.000 1.033 366 L CA -0.766 54.065 54.840 -0.014 0.000 0.814 366 L CB 0.620 42.737 42.059 0.095 0.000 1.203 366 L HN 0.402 nan 8.230 nan 0.000 0.423 367 Y N 1.947 122.263 120.300 0.027 0.000 2.393 367 Y HA 0.413 4.963 4.550 0.000 0.000 0.338 367 Y C 1.358 177.260 175.900 0.003 0.000 1.029 367 Y CA -0.218 57.916 58.100 0.058 0.000 1.239 367 Y CB 0.866 39.349 38.460 0.037 0.000 1.170 367 Y HN 0.723 nan 8.280 nan 0.000 0.515 368 G N 4.975 113.851 108.800 0.127 0.000 2.272 368 G HA2 0.208 4.168 3.960 0.000 0.000 0.247 368 G HA3 0.208 4.168 3.960 0.000 0.000 0.247 368 G C 0.339 175.263 174.900 0.041 0.000 1.272 368 G CA -0.403 44.718 45.100 0.036 0.000 0.921 368 G HN 0.548 nan 8.290 nan 0.000 0.495 369 R N 1.560 122.054 120.500 -0.010 0.000 3.096 369 R HA 0.324 4.664 4.340 0.000 0.000 0.138 369 R C 0.261 176.575 176.300 0.022 0.000 1.088 369 R CA -0.658 55.444 56.100 0.003 0.000 0.652 369 R CB -0.139 30.154 30.300 -0.012 0.000 1.179 369 R HN 0.659 nan 8.270 nan 0.000 0.404 370 E N 1.104 121.322 120.200 0.031 0.000 2.342 370 E HA 0.148 4.498 4.350 0.000 0.000 0.257 370 E C -0.029 176.628 176.600 0.094 0.000 1.150 370 E CA -0.294 56.141 56.400 0.057 0.000 0.926 370 E CB 0.644 30.381 29.700 0.060 0.000 1.074 370 E HN 0.461 nan 8.360 nan 0.000 0.449 371 S N 0.299 116.048 115.700 0.082 0.000 2.587 371 S HA -0.012 4.458 4.470 0.000 0.000 0.260 371 S C 1.019 175.603 174.600 -0.027 0.000 1.353 371 S CA -0.366 57.861 58.200 0.047 0.000 0.995 371 S CB 0.289 63.532 63.200 0.072 0.000 0.912 371 S HN 0.531 nan 8.310 nan 0.000 0.568 372 L N 1.080 122.132 121.223 -0.285 0.000 2.642 372 L HA -0.018 4.322 4.340 0.000 0.000 0.236 372 L C 2.288 179.139 176.870 -0.032 0.000 1.169 372 L CA 1.225 55.758 54.840 -0.511 0.000 0.851 372 L CB -0.867 40.302 42.059 -1.483 0.000 0.968 372 L HN 1.031 nan 8.230 nan 0.000 0.453 373 T N -5.878 108.761 114.554 0.141 0.000 3.069 373 T HA 0.071 4.421 4.350 0.000 0.000 0.252 373 T C 0.767 175.569 174.700 0.170 0.000 1.053 373 T CA -0.203 62.039 62.100 0.237 0.000 0.964 373 T CB 0.255 69.275 68.868 0.253 0.000 1.005 373 T HN 0.078 nan 8.240 nan 0.000 0.532 374 S N 0.948 116.733 115.700 0.142 0.000 2.513 374 S HA 0.396 4.866 4.470 0.000 0.000 0.276 374 S C 0.640 175.324 174.600 0.141 0.000 1.254 374 S CA -0.847 57.468 58.200 0.191 0.000 1.053 374 S CB 0.630 63.942 63.200 0.186 0.000 0.958 374 S HN 0.438 nan 8.310 nan 0.000 0.491 375 R N 3.244 123.825 120.500 0.135 0.000 2.449 375 R HA 0.259 4.599 4.340 0.000 0.000 0.262 375 R C -0.325 175.690 176.300 -0.475 0.000 1.006 375 R CA 0.199 56.184 56.100 -0.192 0.000 1.104 375 R CB 0.059 30.177 30.300 -0.304 0.000 1.206 375 R HN 0.607 nan 8.270 nan 0.000 0.538 376 F N -1.470 118.460 119.950 -0.033 0.000 2.171 376 F HA 0.224 4.751 4.527 0.000 0.000 0.220 376 F C 0.836 176.601 175.800 -0.058 0.000 1.118 376 F CA -0.307 57.667 58.000 -0.043 0.000 1.229 376 F CB 0.264 39.246 39.000 -0.029 0.000 1.616 376 F HN -0.352 nan 8.300 nan 0.000 0.477 377 T N 2.457 117.111 114.554 0.168 0.000 2.947 377 T HA 0.324 4.674 4.350 0.000 0.000 0.337 377 T C -0.685 174.030 174.700 0.025 0.000 1.139 377 T CA -0.470 61.660 62.100 0.051 0.000 0.992 377 T CB 0.342 69.229 68.868 0.032 0.000 1.043 377 T HN 0.099 nan 8.240 nan 0.000 0.498 378 Q N 1.715 121.513 119.800 -0.003 0.000 2.293 378 Q HA 0.581 4.921 4.340 0.000 0.000 0.261 378 Q C -0.315 175.647 176.000 -0.064 0.000 0.960 378 Q CA -0.787 55.006 55.803 -0.017 0.000 0.882 378 Q CB 2.034 30.777 28.738 0.008 0.000 1.275 378 Q HN 0.708 nan 8.270 nan 0.000 0.445 379 A N 3.784 126.498 122.820 -0.176 0.000 2.922 379 A HA 0.351 4.671 4.320 0.000 0.000 0.298 379 A C -1.096 176.349 177.584 -0.232 0.000 1.588 379 A CA 0.063 51.990 52.037 -0.183 0.000 1.288 379 A CB -0.550 18.345 19.000 -0.174 0.000 1.130 379 A HN 0.523 nan 8.150 nan 0.000 0.557 380 F N 2.145 121.915 119.950 -0.299 0.000 2.588 380 F HA 0.541 5.068 4.527 0.000 0.000 0.318 380 F C -1.267 174.431 175.800 -0.170 0.000 1.155 380 F CA -1.180 56.670 58.000 -0.251 0.000 0.967 380 F CB 1.977 40.879 39.000 -0.164 0.000 1.236 380 F HN 0.092 nan 8.300 nan 0.000 0.455 381 V N 5.315 124.844 119.914 -0.642 0.000 2.483 381 V HA 0.929 5.049 4.120 0.000 0.000 0.297 381 V C -0.524 175.082 176.094 -0.813 0.000 1.027 381 V CA -0.448 61.477 62.300 -0.625 0.000 0.855 381 V CB 1.088 32.556 31.823 -0.591 0.000 0.995 381 V HN 1.053 nan 8.190 nan 0.000 0.424 382 A N 5.246 127.753 122.820 -0.521 0.000 2.539 382 A HA 1.017 5.337 4.320 0.000 0.000 0.296 382 A C -0.721 176.894 177.584 0.051 0.000 1.073 382 A CA -0.951 50.880 52.037 -0.344 0.000 0.700 382 A CB 2.137 20.816 19.000 -0.534 0.000 1.296 382 A HN 1.008 nan 8.150 nan 0.000 0.405 383 R N 0.553 121.063 120.500 0.016 0.000 2.803 383 R HA 0.762 5.103 4.340 0.000 0.000 0.276 383 R C -0.721 175.169 176.300 -0.683 0.000 0.978 383 R CA -0.859 55.053 56.100 -0.312 0.000 0.939 383 R CB 1.060 31.078 30.300 -0.470 0.000 1.179 383 R HN 0.616 nan 8.270 nan 0.000 0.472 384 R N 1.038 120.835 120.500 -1.172 0.000 2.623 384 R HA 0.029 4.369 4.340 0.000 0.000 0.271 384 R C -0.543 175.378 176.300 -0.631 0.000 1.043 384 R CA -0.027 55.335 56.100 -1.229 0.000 1.083 384 R CB 0.304 29.999 30.300 -1.008 0.000 0.974 384 R HN 0.476 nan 8.270 nan 0.000 0.436 385 W N 2.233 123.163 121.300 -0.617 0.000 2.264 385 W HA 0.028 4.689 4.660 0.000 0.000 0.331 385 W C 0.928 177.166 176.519 -0.469 0.000 1.364 385 W CA 0.134 57.208 57.345 -0.452 0.000 1.253 385 W CB 0.220 29.610 29.460 -0.117 0.000 1.215 385 W HN 0.619 nan 8.180 nan 0.000 0.561 386 Q N 0.918 120.546 119.800 -0.286 0.000 2.089 386 Q HA 0.077 4.417 4.340 0.000 0.000 0.227 386 Q C -0.598 174.999 176.000 -0.672 0.000 0.774 386 Q CA 0.118 55.648 55.803 -0.454 0.000 0.960 386 Q CB 0.910 29.317 28.738 -0.552 0.000 1.179 386 Q HN 0.536 nan 8.270 nan 0.000 0.460 387 H N -2.122 116.900 119.070 -0.080 0.000 2.865 387 H HA 0.254 4.810 4.556 0.000 0.000 0.372 387 H C -0.376 174.973 175.328 0.036 0.000 1.173 387 H CA -0.697 55.334 56.048 -0.027 0.000 1.147 387 H CB 1.046 30.868 29.762 0.099 0.000 1.805 387 H HN -0.126 nan 8.280 nan 0.000 0.553 388 F N -0.358 119.743 119.950 0.253 0.000 2.512 388 F HA 0.053 4.580 4.527 0.000 0.000 0.296 388 F C 0.299 175.917 175.800 -0.303 0.000 1.110 388 F CA 0.442 58.428 58.000 -0.022 0.000 1.446 388 F CB 0.051 38.925 39.000 -0.210 0.000 1.092 388 F HN 0.464 nan 8.300 nan 0.000 0.554 389 H N -0.688 118.585 119.070 0.337 0.000 2.708 389 H HA 0.481 5.037 4.556 0.000 0.000 0.320 389 H C -0.621 174.763 175.328 0.094 0.000 0.991 389 H CA -1.081 55.033 56.048 0.110 0.000 1.243 389 H CB 0.764 30.573 29.762 0.077 0.000 1.446 389 H HN -0.019 nan 8.280 nan 0.000 0.502 390 F N 0.255 120.119 119.950 -0.143 0.000 2.779 390 F HA 0.652 5.179 4.527 0.000 0.000 0.316 390 F C -2.061 173.553 175.800 -0.310 0.000 1.164 390 F CA -1.338 56.471 58.000 -0.317 0.000 0.924 390 F CB 1.062 39.744 39.000 -0.531 0.000 1.348 390 F HN 0.372 nan 8.300 nan 0.000 0.467 391 V N 1.709 121.524 119.914 -0.164 0.000 2.531 391 V HA 0.915 5.035 4.120 0.000 0.000 0.301 391 V C -0.962 175.122 176.094 -0.017 0.000 1.034 391 V CA -0.127 62.055 62.300 -0.196 0.000 0.865 391 V CB 0.987 32.682 31.823 -0.214 0.000 0.995 391 V HN 1.479 nan 8.190 nan 0.000 0.424 392 A N 5.136 127.998 122.820 0.069 0.000 2.337 392 A HA 0.955 5.275 4.320 0.000 0.000 0.331 392 A C -0.474 177.104 177.584 -0.010 0.000 1.137 392 A CA -0.584 51.491 52.037 0.063 0.000 0.807 392 A CB 1.637 20.836 19.000 0.332 0.000 1.250 392 A HN 0.960 nan 8.150 nan 0.000 0.468 393 E N -0.574 119.544 120.200 -0.137 0.000 2.380 393 E HA 0.551 4.901 4.350 0.000 0.000 0.281 393 E C -1.516 175.124 176.600 0.068 0.000 0.999 393 E CA -0.335 56.115 56.400 0.084 0.000 0.800 393 E CB 2.260 32.072 29.700 0.188 0.000 1.228 393 E HN 0.704 nan 8.360 nan 0.000 0.436 394 T N 1.454 116.120 114.554 0.187 0.000 2.843 394 T HA 0.482 4.832 4.350 0.000 0.000 0.302 394 T C -1.871 172.750 174.700 -0.132 0.000 1.232 394 T CA -0.693 61.428 62.100 0.035 0.000 1.009 394 T CB 1.446 70.573 68.868 0.432 0.000 1.254 394 T HN 0.348 nan 8.240 nan 0.000 0.504 395 K N 2.665 122.829 120.400 -0.395 0.000 2.579 395 K HA 0.694 5.014 4.320 0.000 0.000 0.250 395 K C -1.854 174.701 176.600 -0.074 0.000 0.952 395 K CA -0.666 55.370 56.287 -0.418 0.000 0.857 395 K CB 1.649 33.695 32.500 -0.757 0.000 1.123 395 K HN 0.393 nan 8.250 nan 0.000 0.433 396 V N 3.034 122.948 119.914 0.001 0.000 2.540 396 V HA 0.459 4.579 4.120 0.000 0.000 0.302 396 V C -1.147 174.939 176.094 -0.013 0.000 1.035 396 V CA -0.401 61.853 62.300 -0.076 0.000 0.873 396 V CB 1.905 33.532 31.823 -0.327 0.000 0.992 396 V HN 0.842 nan 8.190 nan 0.000 0.428 397 S N 7.024 122.674 115.700 -0.084 0.000 2.422 397 S HA 0.730 5.200 4.470 0.000 0.000 0.298 397 S C -1.208 173.353 174.600 -0.065 0.000 1.118 397 S CA -0.356 57.716 58.200 -0.214 0.000 1.083 397 S CB 0.379 63.328 63.200 -0.419 0.000 0.971 397 S HN 0.783 nan 8.310 nan 0.000 0.478 398 F N 4.884 124.696 119.950 -0.231 0.000 2.604 398 F HA 0.531 5.058 4.527 0.000 0.000 0.316 398 F C -0.828 174.875 175.800 -0.162 0.000 1.136 398 F CA -0.871 57.008 58.000 -0.202 0.000 0.989 398 F CB 1.527 40.428 39.000 -0.165 0.000 1.258 398 F HN 0.540 nan 8.300 nan 0.000 0.451 399 R N 6.042 126.118 120.500 -0.707 0.000 2.564 399 R HA 0.303 4.643 4.340 0.000 0.000 0.282 399 R C -2.870 172.920 176.300 -0.850 0.000 1.573 399 R CA -1.607 54.119 56.100 -0.624 0.000 1.588 399 R CB 0.985 31.056 30.300 -0.382 0.000 1.154 399 R HN 0.320 nan 8.270 nan 0.000 0.606 400 P HA 0.064 nan 4.420 nan 0.000 0.276 400 P C 0.683 177.711 177.300 -0.453 0.000 1.235 400 P CA 0.038 62.689 63.100 -0.747 0.000 0.772 400 P CB 1.067 32.501 31.700 -0.444 0.000 0.871 401 T N -1.047 113.173 114.554 -0.558 0.000 3.086 401 T HA 0.143 4.493 4.350 0.000 0.000 0.250 401 T C 0.607 174.483 174.700 -1.373 0.000 1.074 401 T CA 0.170 61.760 62.100 -0.851 0.000 0.988 401 T CB -0.161 68.354 68.868 -0.588 0.000 0.988 401 T HN 0.524 nan 8.240 nan 0.000 0.530 402 T N 0.357 114.425 114.554 -0.811 0.000 2.885 402 T HA 0.443 4.793 4.350 0.000 0.000 0.322 402 T C -0.023 174.641 174.700 -0.059 0.000 1.387 402 T CA -0.870 60.846 62.100 -0.639 0.000 1.041 402 T CB 0.715 69.160 68.868 -0.704 0.000 1.287 402 T HN 0.094 nan 8.240 nan 0.000 0.491 403 F N 1.440 121.603 119.950 0.356 0.000 2.408 403 F HA 0.100 4.627 4.527 0.000 0.000 0.300 403 F C 2.027 177.934 175.800 0.178 0.000 1.090 403 F CA 0.604 58.776 58.000 0.287 0.000 1.427 403 F CB -0.780 38.364 39.000 0.240 0.000 1.070 403 F HN 0.550 nan 8.300 nan 0.000 0.549 404 Q N 0.450 120.209 119.800 -0.069 0.000 2.488 404 Q HA 0.003 4.343 4.340 0.000 0.000 0.211 404 Q C 0.059 176.109 176.000 0.083 0.000 0.967 404 Q CA 0.564 56.382 55.803 0.024 0.000 0.926 404 Q CB -0.094 28.573 28.738 -0.118 0.000 0.992 404 Q HN 0.608 nan 8.270 nan 0.000 0.506 405 Q N 0.288 120.162 119.800 0.123 0.000 2.316 405 Q HA 0.385 4.725 4.340 0.000 0.000 0.264 405 Q C -0.847 175.375 176.000 0.370 0.000 0.987 405 Q CA -0.471 55.476 55.803 0.240 0.000 0.852 405 Q CB 2.170 31.052 28.738 0.240 0.000 1.287 405 Q HN 0.014 nan 8.270 nan 0.000 0.448 406 S N 0.766 116.643 115.700 0.294 0.000 2.564 406 S HA 0.928 5.398 4.470 0.000 0.000 0.274 406 S C -1.562 172.943 174.600 -0.159 0.000 1.124 406 S CA -0.573 57.752 58.200 0.208 0.000 0.869 406 S CB 2.073 65.363 63.200 0.151 0.000 1.105 406 S HN 0.712 nan 8.310 nan 0.000 0.472 407 A N 0.845 123.538 122.820 -0.212 0.000 2.547 407 A HA 1.008 5.328 4.320 0.000 0.000 0.297 407 A C 0.043 177.655 177.584 0.047 0.000 1.056 407 A CA -0.202 51.664 52.037 -0.285 0.000 0.688 407 A CB 0.941 19.355 19.000 -0.977 0.000 1.282 407 A HN 2.296 nan 8.150 nan 0.000 0.400 408 G N -0.671 108.274 108.800 0.242 0.000 2.325 408 G HA2 0.580 4.541 3.960 0.000 0.000 0.295 408 G HA3 0.580 4.541 3.960 0.000 0.000 0.295 408 G C -2.184 172.935 174.900 0.366 0.000 1.274 408 G CA -0.215 45.060 45.100 0.292 0.000 0.857 408 G HN 1.782 nan 8.290 nan 0.000 0.499 409 L N 0.867 122.296 121.223 0.343 0.000 2.272 409 L HA 0.789 5.129 4.340 0.000 0.000 0.289 409 L C -0.546 176.573 176.870 0.415 0.000 1.032 409 L CA -0.794 54.303 54.840 0.428 0.000 0.810 409 L CB 1.380 43.736 42.059 0.495 0.000 1.205 409 L HN 0.430 nan 8.230 nan 0.000 0.422 410 V N 5.225 125.422 119.914 0.472 0.000 2.448 410 V HA 0.491 4.611 4.120 0.000 0.000 0.295 410 V C -0.265 176.192 176.094 0.604 0.000 1.025 410 V CA -0.797 61.767 62.300 0.440 0.000 0.859 410 V CB 1.629 33.586 31.823 0.223 0.000 0.988 410 V HN 0.754 nan 8.190 nan 0.000 0.431 411 N N 3.769 122.830 118.700 0.602 0.000 2.437 411 N HA 0.442 5.182 4.740 0.000 0.000 0.259 411 N C -1.556 174.283 175.510 0.547 0.000 0.983 411 N CA -0.273 53.137 53.050 0.601 0.000 0.937 411 N CB 2.136 40.923 38.487 0.501 0.000 1.122 411 N HN 0.769 nan 8.380 nan 0.000 0.499 412 Y N 2.182 122.707 120.300 0.375 0.000 2.421 412 Y HA 0.160 4.710 4.550 0.000 0.000 0.339 412 Y C -0.657 175.423 175.900 0.300 0.000 0.996 412 Y CA -0.664 57.662 58.100 0.377 0.000 1.046 412 Y CB 1.290 40.008 38.460 0.430 0.000 1.226 412 Y HN 0.502 nan 8.280 nan 0.000 0.445 413 Y N 4.168 124.379 120.300 -0.148 0.000 2.447 413 Y HA 0.252 4.802 4.550 0.000 0.000 0.286 413 Y C -0.105 175.617 175.900 -0.297 0.000 1.153 413 Y CA 1.000 59.017 58.100 -0.140 0.000 1.241 413 Y CB 0.472 38.829 38.460 -0.172 0.000 1.284 413 Y HN 0.766 nan 8.280 nan 0.000 0.520 414 N N -2.555 115.891 118.700 -0.423 0.000 3.316 414 N HA 0.097 4.837 4.740 0.000 0.000 0.300 414 N C 0.384 175.593 175.510 -0.501 0.000 1.567 414 N CA 0.154 52.945 53.050 -0.430 0.000 0.821 414 N CB 0.302 38.753 38.487 -0.060 0.000 1.748 414 N HN 0.006 nan 8.380 nan 0.000 0.603 415 T N -3.037 111.472 114.554 -0.074 0.000 2.897 415 T HA -0.164 4.186 4.350 0.000 0.000 0.271 415 T C 0.804 175.639 174.700 0.225 0.000 1.084 415 T CA 1.482 63.674 62.100 0.153 0.000 1.123 415 T CB -0.378 68.567 68.868 0.130 0.000 0.865 415 T HN 0.603 nan 8.240 nan 0.000 0.496 416 Q N 0.251 120.051 119.800 -0.000 0.000 2.214 416 Q HA 0.264 4.604 4.340 0.000 0.000 0.229 416 Q C -0.277 175.510 176.000 -0.356 0.000 0.835 416 Q CA -0.131 55.593 55.803 -0.132 0.000 0.953 416 Q CB 0.689 29.351 28.738 -0.127 0.000 1.131 416 Q HN 0.497 nan 8.270 nan 0.000 0.501 417 N N 1.294 119.802 118.700 -0.320 0.000 2.576 417 N HA 0.232 4.972 4.740 0.000 0.000 0.269 417 N C -1.390 174.026 175.510 -0.157 0.000 1.058 417 N CA -0.155 52.698 53.050 -0.328 0.000 0.860 417 N CB 1.429 39.746 38.487 -0.284 0.000 1.249 417 N HN 0.181 nan 8.380 nan 0.000 0.525 418 W N 0.330 121.575 121.300 -0.092 0.000 2.989 418 W HA 0.495 5.155 4.660 0.000 0.000 0.344 418 W C -1.101 175.468 176.519 0.083 0.000 1.233 418 W CA -0.910 56.431 57.345 -0.006 0.000 1.187 418 W CB 0.693 30.151 29.460 -0.004 0.000 1.443 418 W HN 0.200 nan 8.180 nan 0.000 0.573 419 T N -0.883 114.019 114.554 0.579 0.000 2.896 419 T HA 0.701 5.051 4.350 0.000 0.000 0.297 419 T C -1.182 173.789 174.700 0.453 0.000 1.108 419 T CA -0.557 61.825 62.100 0.471 0.000 1.004 419 T CB 2.507 71.529 68.868 0.258 0.000 1.159 419 T HN 0.715 nan 8.240 nan 0.000 0.499 420 T N 0.812 115.489 114.554 0.206 0.000 2.889 420 T HA 0.591 4.941 4.350 0.000 0.000 0.315 420 T C -2.127 172.366 174.700 -0.346 0.000 1.291 420 T CA -0.715 61.385 62.100 0.000 0.000 1.028 420 T CB 1.586 70.478 68.868 0.040 0.000 1.235 420 T HN 0.895 nan 8.240 nan 0.000 0.491 421 L N 4.771 125.737 121.223 -0.429 0.000 2.313 421 L HA 0.803 5.143 4.340 0.000 0.000 0.283 421 L C -0.775 176.098 176.870 0.004 0.000 1.013 421 L CA 0.011 54.690 54.840 -0.269 0.000 0.816 421 L CB 1.265 43.145 42.059 -0.297 0.000 1.236 421 L HN 0.849 nan 8.230 nan 0.000 0.419 422 Q N 4.019 123.851 119.800 0.053 0.000 2.462 422 Q HA 0.624 4.964 4.340 0.000 0.000 0.285 422 Q C -1.504 174.584 176.000 0.147 0.000 1.035 422 Q CA -0.925 54.946 55.803 0.114 0.000 0.799 422 Q CB 1.935 30.730 28.738 0.096 0.000 1.452 422 Q HN 0.621 nan 8.270 nan 0.000 0.404 423 I N 1.457 122.149 120.570 0.202 0.000 2.353 423 I HA 0.547 4.717 4.170 0.000 0.000 0.293 423 I C -0.006 176.320 176.117 0.347 0.000 0.992 423 I CA -0.155 61.305 61.300 0.267 0.000 1.268 423 I CB 1.797 40.009 38.000 0.354 0.000 1.387 423 I HN 0.804 nan 8.210 nan 0.000 0.478 424 T N 4.096 118.821 114.554 0.284 0.000 2.647 424 T HA 0.418 4.768 4.350 0.000 0.000 0.295 424 T C -2.223 172.659 174.700 0.304 0.000 1.126 424 T CA -0.492 61.801 62.100 0.322 0.000 1.040 424 T CB 1.084 70.134 68.868 0.304 0.000 1.472 424 T HN 0.508 nan 8.240 nan 0.000 0.500 425 W N 1.806 123.184 121.300 0.130 0.000 2.666 425 W HA 0.679 5.339 4.660 0.000 0.000 0.334 425 W C -1.006 175.647 176.519 0.223 0.000 1.051 425 W CA -0.435 56.975 57.345 0.110 0.000 1.224 425 W CB 0.976 30.448 29.460 0.019 0.000 1.405 425 W HN 0.651 nan 8.180 nan 0.000 0.513 426 H N 3.451 122.152 119.070 -0.615 0.000 2.637 426 H HA 0.205 4.762 4.556 0.000 0.000 0.363 426 H C 0.352 174.970 175.328 -1.185 0.000 1.131 426 H CA -0.268 55.429 56.048 -0.586 0.000 1.183 426 H CB 2.180 31.753 29.762 -0.316 0.000 1.637 426 H HN 0.608 nan 8.280 nan 0.000 0.531 427 E N 2.005 121.527 120.200 -1.131 0.000 2.085 427 E HA -0.164 4.186 4.350 0.000 0.000 0.194 427 E C 1.341 177.711 176.600 -0.383 0.000 0.994 427 E CA 1.576 57.518 56.400 -0.762 0.000 0.801 427 E CB 0.426 29.920 29.700 -0.344 0.000 0.743 427 E HN 0.618 nan 8.360 nan 0.000 0.453 428 E N 0.450 120.600 120.200 -0.083 0.000 2.045 428 E HA 0.001 4.351 4.350 0.000 0.000 0.190 428 E C 1.693 178.281 176.600 -0.021 0.000 0.968 428 E CA 0.653 57.071 56.400 0.030 0.000 0.813 428 E CB -0.109 29.662 29.700 0.118 0.000 0.780 428 E HN 0.144 nan 8.360 nan 0.000 0.455 429 K N 0.897 121.311 120.400 0.023 0.000 2.487 429 K HA 0.096 4.416 4.320 0.000 0.000 0.192 429 K C 1.022 177.525 176.600 -0.162 0.000 1.027 429 K CA 0.398 56.605 56.287 -0.135 0.000 1.054 429 K CB 0.226 32.557 32.500 -0.282 0.000 0.824 429 K HN 0.210 nan 8.250 nan 0.000 0.510 430 G N 2.329 110.954 108.800 -0.291 0.000 2.564 430 G HA2 -0.385 3.575 3.960 0.000 0.000 0.273 430 G HA3 -0.385 3.575 3.960 0.000 0.000 0.273 430 G C -0.445 174.311 174.900 -0.241 0.000 1.242 430 G CA 0.003 44.899 45.100 -0.340 0.000 0.951 430 G HN 0.446 nan 8.290 nan 0.000 0.564 431 R N 0.660 121.147 120.500 -0.022 0.000 2.502 431 R HA 0.389 4.729 4.340 0.000 0.000 0.292 431 R C 0.712 177.020 176.300 0.013 0.000 0.998 431 R CA 0.892 57.020 56.100 0.046 0.000 1.056 431 R CB -0.468 29.851 30.300 0.032 0.000 0.939 431 R HN 0.776 nan 8.270 nan 0.000 0.411 432 I N 0.895 121.495 120.570 0.051 0.000 3.042 432 I HA 0.452 4.622 4.170 0.000 0.000 0.310 432 I C -1.171 174.986 176.117 0.067 0.000 1.117 432 I CA -1.311 60.009 61.300 0.033 0.000 1.003 432 I CB 1.912 39.909 38.000 -0.005 0.000 1.228 432 I HN 0.376 nan 8.210 nan 0.000 0.443 433 L N 2.496 123.731 121.223 0.020 0.000 2.322 433 L HA 0.595 4.935 4.340 0.000 0.000 0.281 433 L C -0.628 176.236 176.870 -0.010 0.000 1.014 433 L CA -0.207 54.633 54.840 0.001 0.000 0.815 433 L CB 1.754 43.741 42.059 -0.120 0.000 1.247 433 L HN 0.865 nan 8.230 nan 0.000 0.421 434 E N 4.059 124.278 120.200 0.033 0.000 2.408 434 E HA 0.598 4.948 4.350 0.000 0.000 0.275 434 E C -1.700 174.931 176.600 0.052 0.000 0.935 434 E CA -0.962 55.465 56.400 0.046 0.000 0.775 434 E CB 2.169 31.913 29.700 0.074 0.000 1.277 434 E HN 0.385 nan 8.360 nan 0.000 0.455 435 L N 1.930 123.200 121.223 0.079 0.000 2.322 435 L HA 0.605 4.945 4.340 0.000 0.000 0.279 435 L C -0.185 176.772 176.870 0.143 0.000 1.036 435 L CA -0.761 54.139 54.840 0.100 0.000 0.807 435 L CB 1.530 43.730 42.059 0.236 0.000 1.226 435 L HN 0.619 nan 8.230 nan 0.000 0.433 436 M N 2.415 122.115 119.600 0.166 0.000 2.378 436 M HA 0.458 4.938 4.480 0.000 0.000 0.289 436 M C -1.005 175.446 176.300 0.252 0.000 1.136 436 M CA -0.310 55.127 55.300 0.227 0.000 0.917 436 M CB 2.452 35.234 32.600 0.303 0.000 1.669 436 M HN 0.695 nan 8.290 nan 0.000 0.461 437 T N 0.278 114.895 114.554 0.104 0.000 2.908 437 T HA 0.675 5.025 4.350 0.000 0.000 0.290 437 T C -1.188 173.224 174.700 -0.479 0.000 1.034 437 T CA -0.752 61.316 62.100 -0.054 0.000 1.010 437 T CB 1.680 70.601 68.868 0.089 0.000 1.068 437 T HN 0.791 nan 8.240 nan 0.000 0.481 438 C N 2.914 121.713 119.300 -0.834 0.000 2.383 438 C HA 0.612 5.072 4.460 0.000 0.000 0.330 438 C C -1.129 173.534 174.990 -0.545 0.000 1.168 438 C CA -0.540 57.899 59.018 -0.965 0.000 1.374 438 C CB -0.227 26.311 27.740 -2.003 0.000 2.014 438 C HN 1.006 nan 8.230 nan 0.000 0.439 439 D N 3.174 123.414 120.400 -0.267 0.000 2.414 439 D HA 0.317 4.957 4.640 0.000 0.000 0.232 439 D C 0.129 176.436 176.300 0.011 0.000 1.070 439 D CA 0.023 53.985 54.000 -0.064 0.000 0.839 439 D CB 0.358 41.192 40.800 0.057 0.000 1.079 439 D HN 0.778 nan 8.370 nan 0.000 0.521 440 H N 3.324 122.305 119.070 -0.149 0.000 2.415 440 H HA -0.228 4.328 4.556 0.000 0.000 0.323 440 H C 1.307 176.565 175.328 -0.117 0.000 1.035 440 H CA 0.592 56.557 56.048 -0.139 0.000 1.098 440 H CB -0.810 28.863 29.762 -0.148 0.000 1.575 440 H HN 0.440 nan 8.280 nan 0.000 0.387 441 L N -2.429 118.738 121.223 -0.093 0.000 4.808 441 L HA -0.270 4.070 4.340 0.000 0.000 0.396 441 L C 0.079 176.904 176.870 -0.075 0.000 0.811 441 L CA 1.643 56.441 54.840 -0.070 0.000 2.140 441 L CB -0.805 41.250 42.059 -0.007 0.000 1.363 441 L HN 0.270 nan 8.230 nan 0.000 0.611 442 V N 1.069 120.942 119.914 -0.067 0.000 2.508 442 V HA 0.325 4.445 4.120 0.000 0.000 0.281 442 V C 0.652 176.678 176.094 -0.113 0.000 1.041 442 V CA -0.116 62.148 62.300 -0.060 0.000 1.016 442 V CB 1.121 32.926 31.823 -0.030 0.000 0.984 442 V HN 0.054 nan 8.190 nan 0.000 0.478 443 V N 4.328 124.191 119.914 -0.086 0.000 2.435 443 V HA 0.462 4.582 4.120 0.000 0.000 0.290 443 V C -0.271 175.798 176.094 -0.041 0.000 1.030 443 V CA -0.398 61.842 62.300 -0.100 0.000 0.881 443 V CB 1.861 33.658 31.823 -0.044 0.000 0.983 443 V HN 0.971 nan 8.190 nan 0.000 0.445 444 D N 2.765 123.146 120.400 -0.032 0.000 2.433 444 D HA 0.472 5.112 4.640 0.000 0.000 0.236 444 D C -0.669 175.664 176.300 0.054 0.000 1.026 444 D CA -0.465 53.543 54.000 0.013 0.000 0.884 444 D CB 2.131 42.940 40.800 0.015 0.000 1.384 444 D HN 0.521 nan 8.370 nan 0.000 0.477 445 Q N 2.628 122.463 119.800 0.058 0.000 2.798 445 Q HA 0.281 4.621 4.340 0.000 0.000 0.250 445 Q C -1.878 174.161 176.000 0.064 0.000 1.006 445 Q CA -1.593 54.257 55.803 0.078 0.000 0.759 445 Q CB 1.958 30.738 28.738 0.071 0.000 1.201 445 Q HN 0.266 nan 8.270 nan 0.000 0.486 446 P HA -0.102 nan 4.420 nan 0.000 0.231 446 P C 0.134 177.455 177.300 0.035 0.000 1.158 446 P CA 0.713 63.839 63.100 0.042 0.000 0.763 446 P CB 0.329 32.050 31.700 0.035 0.000 0.805 447 L N -1.085 120.167 121.223 0.048 0.000 3.110 447 L HA 0.236 4.576 4.340 0.000 0.000 0.266 447 L C 0.639 177.518 176.870 0.014 0.000 1.257 447 L CA -0.501 54.358 54.840 0.032 0.000 1.038 447 L CB -0.567 41.518 42.059 0.043 0.000 1.395 447 L HN -0.223 nan 8.230 nan 0.000 0.566 448 R N 0.205 120.714 120.500 0.015 0.000 2.486 448 R HA 0.266 4.606 4.340 0.000 0.000 0.303 448 R C 1.367 177.658 176.300 -0.015 0.000 0.958 448 R CA 0.919 57.022 56.100 0.005 0.000 1.077 448 R CB -0.051 30.256 30.300 0.011 0.000 0.921 448 R HN 0.456 nan 8.270 nan 0.000 0.406 449 G N 3.094 111.870 108.800 -0.041 0.000 2.175 449 G HA2 -0.359 3.601 3.960 0.000 0.000 0.265 449 G HA3 -0.359 3.601 3.960 0.000 0.000 0.265 449 G C 0.545 175.410 174.900 -0.059 0.000 0.979 449 G CA 0.465 45.527 45.100 -0.064 0.000 0.663 449 G HN 0.664 nan 8.290 nan 0.000 0.533 450 R N -0.145 120.328 120.500 -0.044 0.000 2.659 450 R HA 0.261 4.601 4.340 0.000 0.000 0.418 450 R C -0.231 176.049 176.300 -0.032 0.000 1.076 450 R CA -0.412 55.671 56.100 -0.028 0.000 1.093 450 R CB 0.567 30.865 30.300 -0.003 0.000 1.400 450 R HN 0.401 nan 8.270 nan 0.000 0.583 451 E N 1.192 121.352 120.200 -0.066 0.000 2.373 451 E HA 0.113 4.463 4.350 0.000 0.000 0.267 451 E C 0.118 176.678 176.600 -0.067 0.000 1.032 451 E CA -0.027 56.333 56.400 -0.066 0.000 0.889 451 E CB 0.789 30.433 29.700 -0.092 0.000 0.984 451 E HN 0.009 nan 8.360 nan 0.000 0.425 452 I N 3.187 123.711 120.570 -0.077 0.000 2.505 452 I HA 0.004 4.174 4.170 0.000 0.000 0.287 452 I C -0.153 175.958 176.117 -0.010 0.000 1.104 452 I CA -0.165 61.091 61.300 -0.073 0.000 1.387 452 I CB -0.131 37.697 38.000 -0.287 0.000 1.404 452 I HN 0.220 nan 8.210 nan 0.000 0.528 453 V N 8.040 127.966 119.914 0.020 0.000 2.446 453 V HA 0.050 4.170 4.120 0.000 0.000 0.276 453 V C 0.540 176.669 176.094 0.058 0.000 1.030 453 V CA -0.392 61.914 62.300 0.011 0.000 1.033 453 V CB 1.086 32.904 31.823 -0.010 0.000 0.993 453 V HN 0.414 nan 8.190 nan 0.000 0.477 454 V N 8.797 128.717 119.914 0.010 0.000 2.368 454 V HA 0.260 4.380 4.120 0.000 0.000 0.266 454 V C -1.932 174.058 176.094 -0.174 0.000 1.045 454 V CA -1.609 60.621 62.300 -0.117 0.000 0.899 454 V CB 1.106 32.897 31.823 -0.054 0.000 1.006 454 V HN 0.770 nan 8.190 nan 0.000 0.470 455 P HA 0.181 nan 4.420 nan 0.000 0.271 455 P C 0.077 177.277 177.300 -0.167 0.000 1.218 455 P CA -0.240 62.755 63.100 -0.173 0.000 0.780 455 P CB 0.713 32.308 31.700 -0.175 0.000 0.901 456 D N 0.203 120.540 120.400 -0.105 0.000 2.378 456 D HA -0.106 4.535 4.640 0.000 0.000 0.227 456 D C 1.006 177.253 176.300 -0.088 0.000 1.012 456 D CA 0.819 54.766 54.000 -0.089 0.000 0.905 456 D CB -0.203 40.563 40.800 -0.057 0.000 0.895 456 D HN 0.476 nan 8.370 nan 0.000 0.532 457 D N -0.288 120.058 120.400 -0.090 0.000 2.350 457 D HA -0.078 4.562 4.640 0.000 0.000 0.213 457 D C 0.381 176.636 176.300 -0.075 0.000 1.031 457 D CA -0.090 53.870 54.000 -0.067 0.000 0.861 457 D CB 0.418 41.191 40.800 -0.045 0.000 0.926 457 D HN 0.067 nan 8.370 nan 0.000 0.520 458 I N 1.823 122.314 120.570 -0.132 0.000 2.352 458 I HA 0.127 4.297 4.170 0.000 0.000 0.290 458 I C 1.355 177.411 176.117 -0.103 0.000 1.036 458 I CA -0.163 61.061 61.300 -0.126 0.000 1.336 458 I CB 1.186 38.996 38.000 -0.317 0.000 1.407 458 I HN 0.014 nan 8.210 nan 0.000 0.497 459 E N 4.864 125.024 120.200 -0.066 0.000 2.340 459 E HA 0.035 4.385 4.350 0.000 0.000 0.198 459 E C -0.630 175.737 176.600 -0.389 0.000 0.961 459 E CA 0.434 56.695 56.400 -0.231 0.000 0.905 459 E CB 0.572 30.117 29.700 -0.259 0.000 0.884 459 E HN 0.542 nan 8.360 nan 0.000 0.491 460 Y N -0.124 120.200 120.300 0.039 0.000 2.361 460 Y HA 0.360 4.910 4.550 0.000 0.000 0.337 460 Y C -0.524 175.410 175.900 0.057 0.000 0.965 460 Y CA -0.911 57.180 58.100 -0.015 0.000 1.091 460 Y CB 1.956 40.359 38.460 -0.095 0.000 1.182 460 Y HN -0.296 nan 8.280 nan 0.000 0.450 461 V N 4.030 124.059 119.914 0.191 0.000 2.483 461 V HA 0.352 4.473 4.120 0.000 0.000 0.295 461 V C -0.967 175.217 176.094 0.149 0.000 1.035 461 V CA -1.235 61.257 62.300 0.320 0.000 0.896 461 V CB 1.121 33.160 31.823 0.359 0.000 0.986 461 V HN 0.585 nan 8.190 nan 0.000 0.447 462 Y N 4.749 125.192 120.300 0.239 0.000 2.328 462 Y HA 0.674 5.224 4.550 0.000 0.000 0.337 462 Y C 0.001 176.141 175.900 0.400 0.000 1.008 462 Y CA -0.619 57.621 58.100 0.234 0.000 1.129 462 Y CB 1.377 39.817 38.460 -0.033 0.000 1.185 462 Y HN 0.394 nan 8.280 nan 0.000 0.476 463 L N 4.916 126.491 121.223 0.586 0.000 2.356 463 L HA 0.674 5.014 4.340 0.000 0.000 0.277 463 L C -0.496 176.701 176.870 0.546 0.000 0.996 463 L CA -0.862 54.318 54.840 0.566 0.000 0.822 463 L CB 2.182 44.505 42.059 0.439 0.000 1.256 463 L HN 0.571 nan 8.230 nan 0.000 0.413 464 R N 2.545 123.353 120.500 0.514 0.000 2.574 464 R HA 0.708 5.048 4.340 0.000 0.000 0.288 464 R C -2.010 174.428 176.300 0.231 0.000 1.004 464 R CA -0.513 55.736 56.100 0.248 0.000 0.895 464 R CB 2.744 32.972 30.300 -0.120 0.000 1.191 464 R HN 0.451 nan 8.270 nan 0.000 0.444 465 V N 3.602 123.573 119.914 0.095 0.000 2.513 465 V HA 0.578 4.698 4.120 0.000 0.000 0.299 465 V C -1.056 174.889 176.094 -0.247 0.000 1.035 465 V CA -0.108 62.114 62.300 -0.129 0.000 0.889 465 V CB 2.146 33.829 31.823 -0.234 0.000 0.988 465 V HN 0.906 nan 8.190 nan 0.000 0.440 466 T N 6.203 120.598 114.554 -0.266 0.000 2.833 466 T HA 0.493 4.843 4.350 0.000 0.000 0.297 466 T C -0.637 173.858 174.700 -0.343 0.000 1.015 466 T CA -0.282 61.632 62.100 -0.311 0.000 0.963 466 T CB 1.158 69.915 68.868 -0.186 0.000 0.955 466 T HN 0.509 nan 8.240 nan 0.000 0.449 467 V N 4.506 124.026 119.914 -0.657 0.000 2.394 467 V HA 0.427 4.547 4.120 0.000 0.000 0.282 467 V C -0.111 175.790 176.094 -0.322 0.000 1.031 467 V CA -0.688 61.247 62.300 -0.608 0.000 0.881 467 V CB 1.535 32.541 31.823 -1.361 0.000 0.982 467 V HN 0.744 nan 8.190 nan 0.000 0.451 468 Q N 3.634 123.379 119.800 -0.091 0.000 2.798 468 Q HA 0.561 4.901 4.340 0.000 0.000 0.250 468 Q C 0.712 176.724 176.000 0.021 0.000 1.006 468 Q CA 0.332 56.151 55.803 0.027 0.000 0.759 468 Q CB 1.525 30.312 28.738 0.083 0.000 1.201 468 Q HN 1.022 nan 8.270 nan 0.000 0.486 469 A N 1.637 124.393 122.820 -0.107 0.000 4.974 469 A HA -0.411 3.909 4.320 0.000 0.000 0.339 469 A C 1.717 179.382 177.584 0.134 0.000 1.785 469 A CA 2.903 54.916 52.037 -0.040 0.000 0.707 469 A CB -2.133 16.799 19.000 -0.114 0.000 1.430 469 A HN 0.677 nan 8.150 nan 0.000 0.398 470 T N -1.912 112.705 114.554 0.105 0.000 2.904 470 T HA 0.326 4.676 4.350 0.000 0.000 0.267 470 T C 1.033 175.852 174.700 0.198 0.000 1.059 470 T CA 2.194 64.385 62.100 0.152 0.000 1.137 470 T CB -0.920 68.002 68.868 0.090 0.000 0.879 470 T HN 2.130 nan 8.240 nan 0.000 0.467 471 T N -0.081 114.573 114.554 0.166 0.000 2.930 471 T HA 0.678 5.028 4.350 0.000 0.000 0.290 471 T C -1.080 173.760 174.700 0.234 0.000 1.052 471 T CA -1.161 61.032 62.100 0.154 0.000 1.017 471 T CB 1.939 70.843 68.868 0.059 0.000 1.137 471 T HN 0.570 nan 8.240 nan 0.000 0.511 472 Y N -1.752 118.603 120.300 0.092 0.000 2.597 472 Y HA 0.837 5.387 4.550 0.000 0.000 0.340 472 Y C -1.259 174.691 175.900 0.083 0.000 1.097 472 Y CA -1.366 56.733 58.100 -0.002 0.000 1.037 472 Y CB 1.591 39.989 38.460 -0.102 0.000 1.305 472 Y HN 0.557 nan 8.280 nan 0.000 0.463 473 K N 1.798 122.266 120.400 0.113 0.000 2.375 473 K HA 0.406 4.726 4.320 0.000 0.000 0.249 473 K C -1.860 174.796 176.600 0.094 0.000 0.942 473 K CA -0.928 55.449 56.287 0.150 0.000 0.806 473 K CB 2.500 35.065 32.500 0.110 0.000 1.227 473 K HN 0.801 nan 8.250 nan 0.000 0.430 474 Y N 0.144 120.640 120.300 0.326 0.000 2.376 474 Y HA 0.286 4.836 4.550 0.000 0.000 0.325 474 Y C 0.724 176.789 175.900 0.274 0.000 1.199 474 Y CA -0.037 58.236 58.100 0.288 0.000 1.206 474 Y CB 1.860 40.504 38.460 0.307 0.000 1.229 474 Y HN 0.566 nan 8.280 nan 0.000 0.480 475 S N 1.485 117.464 115.700 0.465 0.000 2.541 475 S HA 0.700 5.171 4.470 0.000 0.000 0.271 475 S C -1.557 173.422 174.600 0.632 0.000 1.133 475 S CA -0.960 57.510 58.200 0.451 0.000 0.876 475 S CB 1.308 64.687 63.200 0.299 0.000 1.105 475 S HN 0.649 nan 8.310 nan 0.000 0.470 476 Y N -0.593 119.952 120.300 0.407 0.000 2.630 476 Y HA 0.909 5.459 4.550 0.000 0.000 0.337 476 Y C -0.312 175.560 175.900 -0.046 0.000 1.051 476 Y CA -0.919 57.346 58.100 0.275 0.000 1.121 476 Y CB 1.548 40.063 38.460 0.091 0.000 1.299 476 Y HN 0.852 nan 8.280 nan 0.000 0.498 477 S N 0.382 115.887 115.700 -0.326 0.000 2.550 477 S HA 0.517 4.987 4.470 0.000 0.000 0.270 477 S C -1.075 173.417 174.600 -0.179 0.000 1.145 477 S CA -0.646 57.105 58.200 -0.748 0.000 0.852 477 S CB 0.692 62.902 63.200 -1.651 0.000 1.119 477 S HN 0.616 nan 8.310 nan 0.000 0.465 478 F N 1.572 121.505 119.950 -0.027 0.000 2.717 478 F HA 0.253 4.780 4.527 0.000 0.000 0.295 478 F C 1.577 177.461 175.800 0.139 0.000 1.117 478 F CA 0.031 58.128 58.000 0.162 0.000 1.361 478 F CB 0.164 39.242 39.000 0.130 0.000 1.112 478 F HN 0.665 nan 8.300 nan 0.000 0.594 479 D N -2.613 117.757 120.400 -0.049 0.000 2.498 479 D HA 0.242 4.882 4.640 0.000 0.000 0.223 479 D C 1.759 177.664 176.300 -0.658 0.000 1.125 479 D CA 0.755 54.663 54.000 -0.154 0.000 0.835 479 D CB 0.002 40.753 40.800 -0.081 0.000 1.086 479 D HN 0.138 nan 8.370 nan 0.000 0.510 480 G N 0.317 108.301 108.800 -1.361 0.000 2.159 480 G HA2 -0.355 3.605 3.960 0.000 0.000 0.256 480 G HA3 -0.355 3.605 3.960 0.000 0.000 0.256 480 G C 0.788 175.373 174.900 -0.525 0.000 0.977 480 G CA 0.892 45.153 45.100 -1.399 0.000 0.652 480 G HN 0.378 nan 8.290 nan 0.000 0.531 481 M N -1.133 118.173 119.600 -0.490 0.000 2.724 481 M HA 0.248 4.728 4.480 0.000 0.000 0.231 481 M C 0.391 176.593 176.300 -0.162 0.000 1.568 481 M CA 0.282 55.481 55.300 -0.169 0.000 1.153 481 M CB 0.452 32.988 32.600 -0.107 0.000 1.345 481 M HN 0.084 nan 8.290 nan 0.000 0.555 482 N N 0.431 118.944 118.700 -0.312 0.000 2.462 482 N HA 0.221 4.961 4.740 0.000 0.000 0.242 482 N C -1.818 173.439 175.510 -0.422 0.000 1.010 482 N CA -0.144 52.768 53.050 -0.231 0.000 0.939 482 N CB 0.453 38.846 38.487 -0.157 0.000 1.127 482 N HN 0.116 nan 8.380 nan 0.000 0.509 483 W N 2.823 124.016 121.300 -0.178 0.000 2.496 483 W HA 0.564 5.224 4.660 0.000 0.000 0.327 483 W C -0.129 176.232 176.519 -0.263 0.000 1.086 483 W CA -0.564 56.647 57.345 -0.223 0.000 1.222 483 W CB 0.839 30.226 29.460 -0.122 0.000 1.304 483 W HN 0.184 nan 8.180 nan 0.000 0.547 484 I N 3.068 123.511 120.570 -0.212 0.000 2.418 484 I HA 0.139 4.309 4.170 0.000 0.000 0.287 484 I C -0.566 175.545 176.117 -0.009 0.000 1.008 484 I CA -1.024 60.150 61.300 -0.210 0.000 1.104 484 I CB 1.281 39.021 38.000 -0.433 0.000 1.264 484 I HN 0.166 nan 8.210 nan 0.000 0.438 485 D N 6.568 127.025 120.400 0.095 0.000 2.417 485 D HA 0.270 4.910 4.640 0.000 0.000 0.250 485 D C -0.256 176.174 176.300 0.217 0.000 1.166 485 D CA 0.140 54.242 54.000 0.169 0.000 0.881 485 D CB 0.904 41.774 40.800 0.116 0.000 1.164 485 D HN 0.248 nan 8.370 nan 0.000 0.467 486 L N 5.422 126.827 121.223 0.304 0.000 2.367 486 L HA 0.229 4.569 4.340 0.000 0.000 0.275 486 L C -1.431 175.558 176.870 0.198 0.000 1.129 486 L CA -1.275 53.732 54.840 0.278 0.000 0.839 486 L CB 0.402 42.656 42.059 0.324 0.000 1.133 486 L HN 0.277 nan 8.230 nan 0.000 0.453 487 P HA 0.073 nan 4.420 nan 0.000 0.237 487 P C -0.757 176.547 177.300 0.006 0.000 1.723 487 P CA 0.200 63.339 63.100 0.064 0.000 0.882 487 P CB -0.019 31.711 31.700 0.049 0.000 1.810 488 V N -0.035 119.877 119.914 -0.003 0.000 2.577 488 V HA 0.269 4.389 4.120 0.000 0.000 0.303 488 V C 0.191 176.124 176.094 -0.268 0.000 1.042 488 V CA -0.351 61.827 62.300 -0.204 0.000 0.872 488 V CB 2.224 33.836 31.823 -0.353 0.000 0.998 488 V HN -0.004 nan 8.190 nan 0.000 0.423 489 T N 5.771 120.138 114.554 -0.311 0.000 2.733 489 T HA 0.611 4.961 4.350 0.000 0.000 0.294 489 T C -0.317 174.125 174.700 -0.430 0.000 0.956 489 T CA 0.061 62.016 62.100 -0.241 0.000 0.987 489 T CB 0.093 68.885 68.868 -0.126 0.000 0.920 489 T HN 0.288 nan 8.240 nan 0.000 0.470 490 F N 1.503 121.246 119.950 -0.345 0.000 2.380 490 F HA 0.447 4.974 4.527 0.000 0.000 0.319 490 F C 1.171 176.698 175.800 -0.455 0.000 1.113 490 F CA -0.975 56.712 58.000 -0.522 0.000 1.056 490 F CB 0.930 39.328 39.000 -1.003 0.000 1.289 490 F HN 0.406 nan 8.300 nan 0.000 0.515 491 E N -0.263 119.887 120.200 -0.083 0.000 2.199 491 E HA 0.244 4.594 4.350 0.000 0.000 0.265 491 E C -0.183 176.517 176.600 0.168 0.000 0.882 491 E CA -0.360 56.070 56.400 0.051 0.000 0.759 491 E CB 1.824 31.549 29.700 0.042 0.000 1.148 491 E HN 0.520 nan 8.360 nan 0.000 0.412 492 S N 1.444 117.360 115.700 0.361 0.000 2.423 492 S HA -0.171 4.299 4.470 0.000 0.000 0.231 492 S C 1.706 176.414 174.600 0.179 0.000 1.014 492 S CA 0.855 59.322 58.200 0.446 0.000 0.965 492 S CB -0.255 63.288 63.200 0.572 0.000 0.785 492 S HN 0.674 nan 8.310 nan 0.000 0.495 493 Y N 1.821 122.114 120.300 -0.011 0.000 2.421 493 Y HA 0.122 4.672 4.550 0.000 0.000 0.292 493 Y C 1.501 177.158 175.900 -0.404 0.000 1.136 493 Y CA 0.815 58.801 58.100 -0.189 0.000 1.255 493 Y CB -0.469 37.715 38.460 -0.461 0.000 0.991 493 Y HN 0.027 nan 8.280 nan 0.000 0.552 494 K N 0.829 120.554 120.400 -1.125 0.000 2.504 494 K HA 0.117 4.437 4.320 0.000 0.000 0.195 494 K C 0.414 176.775 176.600 -0.400 0.000 1.036 494 K CA 0.603 56.180 56.287 -1.183 0.000 0.984 494 K CB -0.027 31.846 32.500 -1.044 0.000 0.788 494 K HN 0.432 nan 8.250 nan 0.000 0.488 495 L N 1.032 122.116 121.223 -0.231 0.000 3.141 495 L HA 0.129 4.469 4.340 0.000 0.000 0.267 495 L C -0.008 176.807 176.870 -0.092 0.000 1.281 495 L CA -0.517 54.239 54.840 -0.140 0.000 1.037 495 L CB 0.497 42.438 42.059 -0.196 0.000 1.407 495 L HN -0.006 nan 8.230 nan 0.000 0.566 496 S N -3.447 112.192 115.700 -0.102 0.000 2.681 496 S HA 0.359 4.830 4.470 0.000 0.000 0.299 496 S C 0.452 174.948 174.600 -0.174 0.000 1.113 496 S CA -0.807 57.416 58.200 0.038 0.000 1.013 496 S CB 1.998 65.371 63.200 0.288 0.000 1.076 496 S HN 0.043 nan 8.310 nan 0.000 0.534 497 D N 1.224 121.632 120.400 0.012 0.000 2.123 497 D HA -0.095 4.545 4.640 0.000 0.000 0.196 497 D C 0.908 177.205 176.300 -0.006 0.000 0.992 497 D CA 1.769 55.745 54.000 -0.039 0.000 0.833 497 D CB -0.531 40.317 40.800 0.081 0.000 0.954 497 D HN 0.752 nan 8.370 nan 0.000 0.455 498 D N -1.256 119.257 120.400 0.190 0.000 2.347 498 D HA -0.098 4.542 4.640 0.000 0.000 0.215 498 D C 1.381 177.957 176.300 0.460 0.000 0.976 498 D CA 0.243 54.416 54.000 0.288 0.000 0.884 498 D CB -0.140 40.840 40.800 0.300 0.000 0.915 498 D HN 0.249 nan 8.370 nan 0.000 0.526 499 Y N 1.070 121.553 120.300 0.303 0.000 2.490 499 Y HA 0.131 4.681 4.550 0.000 0.000 0.285 499 Y C 0.216 176.203 175.900 0.147 0.000 1.117 499 Y CA -0.039 58.214 58.100 0.255 0.000 1.262 499 Y CB 0.261 38.757 38.460 0.059 0.000 1.043 499 Y HN -0.190 nan 8.280 nan 0.000 0.553 500 I N 2.254 122.799 120.570 -0.042 0.000 2.505 500 I HA -0.012 4.158 4.170 0.000 0.000 0.287 500 I C 1.144 177.268 176.117 0.012 0.000 1.104 500 I CA 0.163 61.414 61.300 -0.081 0.000 1.387 500 I CB 1.051 38.888 38.000 -0.272 0.000 1.404 500 I HN 0.098 nan 8.210 nan 0.000 0.528 501 K N 3.574 124.057 120.400 0.138 0.000 2.147 501 K HA -0.141 4.179 4.320 0.000 0.000 0.205 501 K C 1.980 178.567 176.600 -0.021 0.000 1.049 501 K CA 1.473 57.723 56.287 -0.063 0.000 0.936 501 K CB -0.090 32.261 32.500 -0.248 0.000 0.722 501 K HN 0.770 nan 8.250 nan 0.000 0.446 502 S N -0.247 115.451 115.700 -0.003 0.000 2.515 502 S HA -0.021 4.449 4.470 0.000 0.000 0.231 502 S C 0.927 175.499 174.600 -0.047 0.000 0.987 502 S CA 0.446 58.636 58.200 -0.016 0.000 0.936 502 S CB -0.136 63.055 63.200 -0.016 0.000 0.766 502 S HN 0.288 nan 8.310 nan 0.000 0.528 503 R N -0.343 120.101 120.500 -0.093 0.000 3.961 503 R HA -0.201 4.139 4.340 0.000 0.000 0.457 503 R C 0.488 176.551 176.300 -0.394 0.000 0.854 503 R CA 1.009 57.018 56.100 -0.151 0.000 1.601 503 R CB -2.279 28.005 30.300 -0.027 0.000 2.259 503 R HN 0.607 nan 8.270 nan 0.000 0.486 504 A N 1.109 123.715 122.820 -0.356 0.000 3.026 504 A HA 0.546 4.866 4.320 0.000 0.000 0.272 504 A C 0.315 177.491 177.584 -0.681 0.000 1.782 504 A CA 0.755 52.440 52.037 -0.587 0.000 1.451 504 A CB -0.076 18.831 19.000 -0.155 0.000 1.081 504 A HN 0.395 nan 8.150 nan 0.000 0.611 505 A N 1.061 123.244 122.820 -1.062 0.000 2.855 505 A HA 0.674 4.994 4.320 0.000 0.000 0.313 505 A C -0.621 176.658 177.584 -0.509 0.000 1.173 505 A CA -0.280 51.452 52.037 -0.508 0.000 0.753 505 A CB 0.199 19.005 19.000 -0.323 0.000 1.200 505 A HN 0.491 nan 8.150 nan 0.000 0.442 506 F N 0.655 120.392 119.950 -0.355 0.000 2.781 506 F HA 0.137 4.664 4.527 0.000 0.000 0.322 506 F C 1.700 176.981 175.800 -0.864 0.000 1.108 506 F CA 0.512 58.087 58.000 -0.708 0.000 1.179 506 F CB 0.226 38.441 39.000 -1.307 0.000 1.072 506 F HN 0.538 nan 8.300 nan 0.000 0.545 507 T N -2.267 111.921 114.554 -0.610 0.000 2.589 507 T HA 0.822 5.172 4.350 0.000 0.000 0.178 507 T C 0.767 174.982 174.700 -0.807 0.000 0.708 507 T CA 0.146 61.527 62.100 -1.199 0.000 1.734 507 T CB 0.573 68.725 68.868 -1.194 0.000 2.792 507 T HN 0.175 nan 8.240 nan 0.000 0.406 508 G N -0.173 108.179 108.800 -0.745 0.000 2.325 508 G HA2 0.569 4.529 3.960 0.000 0.000 0.297 508 G HA3 0.569 4.529 3.960 0.000 0.000 0.297 508 G C -1.120 173.689 174.900 -0.152 0.000 1.448 508 G CA -0.529 44.448 45.100 -0.205 0.000 0.838 508 G HN 0.877 nan 8.290 nan 0.000 0.579 509 A N -0.421 122.320 122.820 -0.132 0.000 2.462 509 A HA 0.715 5.035 4.320 0.000 0.000 0.243 509 A C -0.715 176.721 177.584 -0.248 0.000 1.076 509 A CA 0.368 52.160 52.037 -0.408 0.000 0.773 509 A CB -0.061 18.096 19.000 -1.405 0.000 1.010 509 A HN 0.812 nan 8.150 nan 0.000 0.493 510 F N 0.479 120.327 119.950 -0.170 0.000 2.593 510 F HA 0.592 5.119 4.527 0.000 0.000 0.320 510 F C 0.044 176.089 175.800 0.409 0.000 1.060 510 F CA -0.716 57.332 58.000 0.080 0.000 0.940 510 F CB 2.422 41.416 39.000 -0.010 0.000 1.268 510 F HN 0.451 nan 8.300 nan 0.000 0.475 511 V N 1.681 121.950 119.914 0.593 0.000 2.656 511 V HA 0.969 5.089 4.120 0.000 0.000 0.307 511 V C -0.644 175.700 176.094 0.417 0.000 1.051 511 V CA 0.052 62.746 62.300 0.657 0.000 0.893 511 V CB 1.380 33.654 31.823 0.752 0.000 0.999 511 V HN 0.911 nan 8.190 nan 0.000 0.426 512 G N 5.124 114.174 108.800 0.415 0.000 2.548 512 G HA2 0.539 4.499 3.960 0.000 0.000 0.301 512 G HA3 0.539 4.499 3.960 0.000 0.000 0.301 512 G C -1.745 173.252 174.900 0.162 0.000 1.349 512 G CA -0.972 44.129 45.100 0.001 0.000 0.792 512 G HN 0.698 nan 8.290 nan 0.000 0.481 513 M N 1.424 120.900 119.600 -0.206 0.000 2.227 513 M HA 0.437 4.917 4.480 0.000 0.000 0.335 513 M C -0.670 175.621 176.300 -0.015 0.000 1.053 513 M CA -0.751 54.359 55.300 -0.317 0.000 0.973 513 M CB 2.075 33.925 32.600 -1.251 0.000 1.623 513 M HN 0.598 nan 8.290 nan 0.000 0.434 514 H N 1.374 120.512 119.070 0.113 0.000 2.679 514 H HA 0.649 5.205 4.556 0.000 0.000 0.367 514 H C -1.765 173.630 175.328 0.111 0.000 1.162 514 H CA -0.640 55.486 56.048 0.131 0.000 1.181 514 H CB 2.303 32.021 29.762 -0.072 0.000 1.693 514 H HN 0.863 nan 8.280 nan 0.000 0.538 515 C N 5.315 124.427 119.300 -0.312 0.000 2.642 515 C HA 0.456 4.916 4.460 0.000 0.000 0.344 515 C C -0.866 173.991 174.990 -0.220 0.000 1.110 515 C CA -0.656 58.244 59.018 -0.197 0.000 1.298 515 C CB 0.598 28.224 27.740 -0.190 0.000 1.827 515 C HN 0.985 nan 8.230 nan 0.000 0.467 516 R N 3.606 124.104 120.500 -0.003 0.000 2.445 516 R HA 0.560 4.900 4.340 0.000 0.000 0.308 516 R C -1.324 175.021 176.300 0.076 0.000 0.961 516 R CA -0.140 56.006 56.100 0.076 0.000 0.862 516 R CB 1.171 31.578 30.300 0.178 0.000 1.144 516 R HN 0.757 nan 8.270 nan 0.000 0.447 517 D N 3.347 123.785 120.400 0.064 0.000 2.432 517 D HA 0.222 4.862 4.640 0.000 0.000 0.265 517 D C 0.833 177.156 176.300 0.038 0.000 1.160 517 D CA -0.305 53.735 54.000 0.066 0.000 0.911 517 D CB 1.305 42.146 40.800 0.068 0.000 1.052 517 D HN 0.829 nan 8.370 nan 0.000 0.508 518 G N 1.328 110.152 108.800 0.040 0.000 2.470 518 G HA2 -0.229 3.731 3.960 0.000 0.000 0.220 518 G HA3 -0.229 3.731 3.960 0.000 0.000 0.220 518 G C 1.374 176.268 174.900 -0.011 0.000 1.121 518 G CA 1.107 46.223 45.100 0.026 0.000 0.766 518 G HN 0.489 nan 8.290 nan 0.000 0.553 519 S N -0.633 115.043 115.700 -0.040 0.000 2.496 519 S HA 0.329 4.799 4.470 0.000 0.000 0.224 519 S C 1.846 176.416 174.600 -0.049 0.000 0.996 519 S CA 1.010 59.168 58.200 -0.071 0.000 0.927 519 S CB -0.157 62.967 63.200 -0.126 0.000 0.774 519 S HN 1.499 nan 8.310 nan 0.000 0.524 520 G N 1.125 109.910 108.800 -0.025 0.000 2.221 520 G HA2 -0.276 3.684 3.960 0.000 0.000 0.265 520 G HA3 -0.276 3.684 3.960 0.000 0.000 0.265 520 G C 0.314 175.202 174.900 -0.019 0.000 1.041 520 G CA 0.482 45.572 45.100 -0.017 0.000 0.807 520 G HN 0.587 nan 8.290 nan 0.000 0.502 521 Q N -0.783 119.005 119.800 -0.020 0.000 2.319 521 Q HA 0.191 4.531 4.340 0.000 0.000 0.202 521 Q C 1.374 177.388 176.000 0.024 0.000 0.896 521 Q CA 0.213 56.002 55.803 -0.023 0.000 0.942 521 Q CB 0.292 28.990 28.738 -0.066 0.000 1.083 521 Q HN 0.484 nan 8.270 nan 0.000 0.510 522 N N 1.306 120.046 118.700 0.066 0.000 2.754 522 N HA -0.182 4.558 4.740 0.000 0.000 0.248 522 N C -1.099 174.561 175.510 0.249 0.000 1.093 522 N CA 0.284 53.436 53.050 0.171 0.000 0.699 522 N CB -1.161 37.414 38.487 0.147 0.000 1.016 522 N HN 0.242 nan 8.380 nan 0.000 0.552 523 N N 0.598 119.369 118.700 0.118 0.000 2.508 523 N HA 0.294 5.034 4.740 0.000 0.000 0.264 523 N C -0.679 174.910 175.510 0.131 0.000 1.216 523 N CA 0.280 53.336 53.050 0.011 0.000 0.943 523 N CB 0.279 38.753 38.487 -0.023 0.000 1.113 523 N HN 0.322 nan 8.380 nan 0.000 0.447 524 Y N -0.870 119.497 120.300 0.111 0.000 2.512 524 Y HA 0.788 5.338 4.550 0.000 0.000 0.348 524 Y C -0.850 175.047 175.900 -0.006 0.000 0.990 524 Y CA -1.684 56.364 58.100 -0.086 0.000 1.033 524 Y CB 0.664 38.861 38.460 -0.439 0.000 1.259 524 Y HN 0.465 nan 8.280 nan 0.000 0.461 525 A N 2.057 124.856 122.820 -0.036 0.000 2.304 525 A HA 0.639 4.959 4.320 0.000 0.000 0.323 525 A C -1.390 176.035 177.584 -0.265 0.000 1.195 525 A CA -0.698 51.182 52.037 -0.260 0.000 0.826 525 A CB 0.384 18.974 19.000 -0.682 0.000 1.184 525 A HN 0.742 nan 8.150 nan 0.000 0.496 526 D N 1.476 121.727 120.400 -0.249 0.000 2.280 526 D HA 0.502 5.143 4.640 0.000 0.000 0.236 526 D C -1.144 175.051 176.300 -0.174 0.000 1.082 526 D CA 0.440 54.366 54.000 -0.124 0.000 0.834 526 D CB 0.740 41.501 40.800 -0.065 0.000 1.100 526 D HN 0.315 nan 8.370 nan 0.000 0.486 527 F N 1.342 121.364 119.950 0.120 0.000 2.361 527 F HA 0.176 4.703 4.527 0.000 0.000 0.364 527 F C 1.532 177.534 175.800 0.337 0.000 1.120 527 F CA -0.758 57.348 58.000 0.177 0.000 1.102 527 F CB 1.483 40.530 39.000 0.079 0.000 1.183 527 F HN 0.215 nan 8.300 nan 0.000 0.476 528 D N 2.576 123.234 120.400 0.431 0.000 2.084 528 D HA -0.140 4.500 4.640 0.000 0.000 0.194 528 D C -0.311 176.222 176.300 0.389 0.000 0.990 528 D CA 1.928 56.078 54.000 0.251 0.000 0.826 528 D CB 0.175 41.010 40.800 0.058 0.000 0.971 528 D HN 0.442 nan 8.370 nan 0.000 0.453 529 Y N -2.956 117.553 120.300 0.348 0.000 2.597 529 Y HA 0.530 5.080 4.550 0.000 0.000 0.340 529 Y C -1.719 174.379 175.900 0.331 0.000 1.097 529 Y CA -1.914 56.276 58.100 0.149 0.000 1.037 529 Y CB 0.659 39.137 38.460 0.029 0.000 1.305 529 Y HN -0.152 nan 8.280 nan 0.000 0.463 530 F N 3.680 123.702 119.950 0.120 0.000 2.518 530 F HA 0.695 5.222 4.527 0.000 0.000 0.323 530 F C -1.874 174.151 175.800 0.374 0.000 1.129 530 F CA -1.216 56.963 58.000 0.299 0.000 0.920 530 F CB 1.581 40.784 39.000 0.338 0.000 1.160 530 F HN 0.783 nan 8.300 nan 0.000 0.440 531 L N 7.717 128.796 121.223 -0.239 0.000 2.325 531 L HA 0.506 4.846 4.340 0.000 0.000 0.281 531 L C -2.067 174.665 176.870 -0.230 0.000 1.004 531 L CA -0.763 54.033 54.840 -0.073 0.000 0.823 531 L CB 1.128 43.245 42.059 0.097 0.000 1.236 531 L HN 0.734 nan 8.230 nan 0.000 0.415 532 Y N 5.546 125.813 120.300 -0.055 0.000 2.328 532 Y HA 0.516 5.066 4.550 0.000 0.000 0.336 532 Y C -0.949 175.009 175.900 0.098 0.000 0.960 532 Y CA -0.681 57.435 58.100 0.027 0.000 1.134 532 Y CB 1.202 39.719 38.460 0.096 0.000 1.166 532 Y HN 0.586 nan 8.280 nan 0.000 0.464 533 K N 6.149 126.320 120.400 -0.382 0.000 2.687 533 K HA 0.201 4.521 4.320 0.000 0.000 0.249 533 K C -1.198 175.193 176.600 -0.348 0.000 0.994 533 K CA -0.565 55.565 56.287 -0.262 0.000 0.913 533 K CB 1.088 33.502 32.500 -0.143 0.000 1.202 533 K HN 0.849 nan 8.250 nan 0.000 0.460 534 E N 4.854 124.832 120.200 -0.370 0.000 2.452 534 E HA 0.067 4.417 4.350 0.000 0.000 0.261 534 E C -0.934 175.556 176.600 -0.184 0.000 0.987 534 E CA 0.086 56.282 56.400 -0.340 0.000 0.926 534 E CB 0.578 29.954 29.700 -0.540 0.000 0.934 534 E HN 0.483 nan 8.360 nan 0.000 0.452 535 L N 0.000 121.164 121.223 -0.098 0.000 2.949 535 L HA 0.000 4.340 4.340 0.000 0.000 0.249 535 L CA 0.000 54.796 54.840 -0.073 0.000 0.813 535 L CB 0.000 42.014 42.059 -0.075 0.000 0.961 535 L HN 0.000 nan 8.230 nan 0.000 0.502