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 2exi_1_A DATA FIRST_RESID 3 DATA SEQUENCE KIKNPILTGF HPGPSICRVG DDYYIAVSTF EWFPGVRIYH SKDLKNWRLV DATA SEQUENCE ARPLNRLSQL NMIGNPDSGG VWAPHLSYSD GKFWLIYTDV KVVEGQWKDG DATA SEQUENCE HNYLVTCDTI DGAWSDPIYL NSSGFDPSLF HDEDGRKYLV NMYWDHRVDH DATA SEQUENCE HPFYGIVLQE YSVEQKKLVG EPKIIFKGTD LRITEGPHLY 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 0.000 176.618 176.600 0.029 0.000 0.988 3 K CA 0.000 56.303 56.287 0.027 0.000 0.838 3 K CB 0.000 32.513 32.500 0.021 0.000 1.064 4 I N 3.100 123.700 120.570 0.050 0.000 2.339 4 I HA 0.262 4.432 4.170 0.000 0.000 0.290 4 I C -0.555 175.603 176.117 0.069 0.000 0.994 4 I CA -0.596 60.739 61.300 0.058 0.000 1.191 4 I CB 1.648 39.690 38.000 0.069 0.000 1.343 4 I HN -0.015 nan 8.210 nan 0.000 0.458 5 K N 5.902 126.341 120.400 0.065 0.000 2.263 5 K HA 0.325 4.645 4.320 0.000 0.000 0.272 5 K C -0.410 176.231 176.600 0.068 0.000 1.033 5 K CA -0.635 55.692 56.287 0.067 0.000 0.884 5 K CB 0.759 33.297 32.500 0.064 0.000 1.107 5 K HN 0.484 nan 8.250 nan 0.000 0.460 6 N N 3.725 122.466 118.700 0.069 0.000 2.467 6 N HA 0.261 5.001 4.740 0.000 0.000 0.262 6 N C -2.467 173.078 175.510 0.058 0.000 1.234 6 N CA -1.380 51.701 53.050 0.052 0.000 0.952 6 N CB 0.728 39.254 38.487 0.065 0.000 1.158 6 N HN 0.419 nan 8.380 nan 0.000 0.463 7 P HA 0.189 nan 4.420 nan 0.000 0.274 7 P C 0.882 178.144 177.300 -0.063 0.000 1.231 7 P CA -0.289 62.786 63.100 -0.040 0.000 0.790 7 P CB 0.639 32.302 31.700 -0.061 0.000 0.951 8 I N -0.831 119.663 120.570 -0.127 0.000 2.480 8 I HA 0.056 4.227 4.170 0.000 0.000 0.251 8 I C 0.329 176.272 176.117 -0.289 0.000 1.124 8 I CA 1.004 62.228 61.300 -0.126 0.000 1.444 8 I CB -0.424 37.510 38.000 -0.110 0.000 1.098 8 I HN 0.056 nan 8.210 nan 0.000 0.428 9 L N 3.185 124.112 121.223 -0.493 0.000 2.294 9 L HA 0.430 4.770 4.340 0.000 0.000 0.283 9 L C 0.023 176.644 176.870 -0.414 0.000 1.015 9 L CA -0.561 53.838 54.840 -0.735 0.000 0.831 9 L CB 1.411 42.667 42.059 -1.338 0.000 1.217 9 L HN 0.218 nan 8.230 nan 0.000 0.420 10 T N -0.286 114.116 114.554 -0.254 0.000 2.928 10 T HA 0.805 5.155 4.350 0.000 0.000 0.284 10 T C 0.523 175.204 174.700 -0.031 0.000 1.008 10 T CA 0.076 62.100 62.100 -0.127 0.000 1.057 10 T CB 1.910 70.651 68.868 -0.212 0.000 1.018 10 T HN 0.993 nan 8.240 nan 0.000 0.493 11 G N 1.324 110.065 108.800 -0.098 0.000 2.796 11 G HA2 -0.107 3.853 3.960 0.000 0.000 0.226 11 G HA3 -0.107 3.853 3.960 0.000 0.000 0.226 11 G C -0.367 174.471 174.900 -0.102 0.000 1.381 11 G CA -0.407 44.612 45.100 -0.135 0.000 0.867 11 G HN 1.490 nan 8.290 nan 0.000 0.552 12 F N 2.238 121.964 119.950 -0.375 0.000 2.355 12 F HA 0.343 4.870 4.527 0.000 0.000 0.365 12 F C 0.844 176.314 175.800 -0.551 0.000 1.075 12 F CA 0.637 58.429 58.000 -0.347 0.000 0.959 12 F CB -0.786 38.033 39.000 -0.302 0.000 0.913 12 F HN 0.528 nan 8.300 nan 0.000 0.539 13 H N 5.178 124.109 119.070 -0.232 0.000 2.600 13 H HA 0.293 4.850 4.556 0.000 0.000 0.224 13 H C -2.607 172.616 175.328 -0.175 0.000 1.413 13 H CA -1.356 54.498 56.048 -0.322 0.000 1.401 13 H CB 0.432 30.003 29.762 -0.317 0.000 1.772 13 H HN 0.334 nan 8.280 nan 0.000 0.528 14 P HA 0.247 nan 4.420 nan 0.000 0.281 14 P C 0.735 178.042 177.300 0.011 0.000 1.281 14 P CA -0.268 62.861 63.100 0.050 0.000 0.811 14 P CB 0.920 32.716 31.700 0.160 0.000 1.154 15 G N -0.576 108.188 108.800 -0.060 0.000 2.371 15 G HA2 -0.152 3.808 3.960 0.000 0.000 0.299 15 G HA3 -0.152 3.808 3.960 0.000 0.000 0.299 15 G C -2.477 172.484 174.900 0.102 0.000 1.014 15 G CA -0.605 44.423 45.100 -0.121 0.000 1.097 15 G HN 0.371 nan 8.290 nan 0.000 0.512 16 P HA 0.407 nan 4.420 nan 0.000 0.276 16 P C -0.105 177.324 177.300 0.215 0.000 1.230 16 P CA 0.058 63.222 63.100 0.107 0.000 0.776 16 P CB 1.822 33.535 31.700 0.022 0.000 0.888 17 S N 3.503 119.316 115.700 0.189 0.000 2.640 17 S HA 0.491 4.961 4.470 0.000 0.000 0.320 17 S C -0.501 174.217 174.600 0.197 0.000 1.097 17 S CA -0.850 57.487 58.200 0.229 0.000 1.092 17 S CB -0.347 63.007 63.200 0.258 0.000 0.988 17 S HN 0.386 nan 8.310 nan 0.000 0.470 18 I N 4.784 125.485 120.570 0.219 0.000 2.440 18 I HA 0.619 4.789 4.170 0.000 0.000 0.294 18 I C -0.581 175.736 176.117 0.334 0.000 0.995 18 I CA -0.322 61.142 61.300 0.273 0.000 1.306 18 I CB 0.891 39.051 38.000 0.266 0.000 1.407 18 I HN 0.774 nan 8.210 nan 0.000 0.501 19 C N 8.165 127.712 119.300 0.412 0.000 2.516 19 C HA 0.486 4.946 4.460 0.000 0.000 0.338 19 C C -0.515 174.748 174.990 0.456 0.000 1.132 19 C CA -0.692 58.590 59.018 0.440 0.000 1.310 19 C CB 1.095 29.122 27.740 0.479 0.000 1.898 19 C HN 0.955 nan 8.230 nan 0.000 0.452 20 R N 4.374 125.077 120.500 0.338 0.000 2.312 20 R HA 0.737 5.077 4.340 0.000 0.000 0.311 20 R C -1.379 174.942 176.300 0.035 0.000 1.004 20 R CA -0.266 55.901 56.100 0.111 0.000 0.902 20 R CB 1.166 31.542 30.300 0.127 0.000 1.073 20 R HN 0.669 nan 8.270 nan 0.000 0.457 21 V N 5.620 125.468 119.914 -0.111 0.000 2.340 21 V HA 0.385 4.505 4.120 0.000 0.000 0.277 21 V C 0.914 176.831 176.094 -0.295 0.000 1.017 21 V CA 0.131 62.280 62.300 -0.252 0.000 0.820 21 V CB 0.570 32.187 31.823 -0.344 0.000 1.028 21 V HN 1.186 nan 8.190 nan 0.000 0.436 22 G N 4.997 113.637 108.800 -0.266 0.000 2.574 22 G HA2 -0.312 3.648 3.960 0.000 0.000 0.301 22 G HA3 -0.312 3.648 3.960 0.000 0.000 0.301 22 G C 0.524 175.163 174.900 -0.436 0.000 1.166 22 G CA 0.681 45.619 45.100 -0.270 0.000 0.971 22 G HN 0.924 nan 8.290 nan 0.000 0.542 23 D N 1.289 121.368 120.400 -0.535 0.000 2.402 23 D HA 0.225 4.865 4.640 0.000 0.000 0.216 23 D C -0.242 175.672 176.300 -0.644 0.000 1.128 23 D CA 0.239 53.754 54.000 -0.807 0.000 0.833 23 D CB 0.027 40.261 40.800 -0.943 0.000 0.971 23 D HN 0.362 nan 8.370 nan 0.000 0.503 24 D N 0.496 120.531 120.400 -0.608 0.000 2.177 24 D HA 0.229 4.869 4.640 0.000 0.000 0.247 24 D C -0.700 175.062 176.300 -0.896 0.000 1.063 24 D CA -0.198 53.499 54.000 -0.506 0.000 0.867 24 D CB 1.133 41.817 40.800 -0.193 0.000 1.168 24 D HN 0.091 nan 8.370 nan 0.000 0.445 25 Y N 1.030 121.038 120.300 -0.486 0.000 2.376 25 Y HA 0.359 4.909 4.550 0.000 0.000 0.340 25 Y C -0.521 175.191 175.900 -0.313 0.000 0.965 25 Y CA -0.922 57.001 58.100 -0.295 0.000 1.078 25 Y CB 1.266 39.651 38.460 -0.126 0.000 1.193 25 Y HN 0.220 nan 8.280 nan 0.000 0.452 26 Y N 2.984 123.569 120.300 0.475 0.000 2.429 26 Y HA 0.677 5.227 4.550 0.000 0.000 0.342 26 Y C -0.423 175.710 175.900 0.388 0.000 1.004 26 Y CA -1.301 57.062 58.100 0.440 0.000 1.075 26 Y CB 1.688 40.327 38.460 0.298 0.000 1.214 26 Y HN 0.389 nan 8.280 nan 0.000 0.455 27 I N 2.665 123.499 120.570 0.440 0.000 2.447 27 I HA 0.605 4.775 4.170 0.000 0.000 0.287 27 I C -0.687 175.530 176.117 0.168 0.000 1.023 27 I CA -0.923 60.474 61.300 0.161 0.000 1.083 27 I CB 1.594 39.447 38.000 -0.244 0.000 1.245 27 I HN 0.731 nan 8.210 nan 0.000 0.434 28 A N 7.019 129.919 122.820 0.133 0.000 2.276 28 A HA 0.773 5.093 4.320 0.000 0.000 0.316 28 A C -0.381 177.244 177.584 0.069 0.000 1.229 28 A CA -0.478 51.610 52.037 0.084 0.000 0.851 28 A CB 0.995 20.029 19.000 0.057 0.000 1.165 28 A HN 0.560 nan 8.150 nan 0.000 0.513 29 V N 0.876 120.817 119.914 0.045 0.000 2.919 29 V HA 0.852 4.972 4.120 0.000 0.000 0.316 29 V C 0.239 176.310 176.094 -0.037 0.000 1.077 29 V CA -0.423 61.885 62.300 0.013 0.000 0.977 29 V CB 1.388 33.217 31.823 0.011 0.000 1.039 29 V HN 1.087 nan 8.190 nan 0.000 0.441 30 S N 1.192 116.866 115.700 -0.043 0.000 2.580 30 S HA 0.440 4.910 4.470 0.000 0.000 0.274 30 S C 0.762 175.334 174.600 -0.046 0.000 1.329 30 S CA 0.223 58.385 58.200 -0.064 0.000 1.036 30 S CB 0.983 64.120 63.200 -0.105 0.000 0.919 30 S HN 1.394 nan 8.310 nan 0.000 0.515 31 T N -1.984 112.614 114.554 0.074 0.000 2.986 31 T HA 0.334 4.684 4.350 0.000 0.000 0.264 31 T C 0.506 175.655 174.700 0.748 0.000 0.964 31 T CA -0.205 62.083 62.100 0.314 0.000 0.895 31 T CB -0.808 68.145 68.868 0.142 0.000 1.163 31 T HN 0.545 nan 8.240 nan 0.000 0.517 32 F N 2.571 122.759 119.950 0.397 0.000 2.426 32 F HA -0.344 4.183 4.527 0.000 0.000 0.283 32 F C 1.840 177.794 175.800 0.257 0.000 1.467 32 F CA 1.989 60.209 58.000 0.368 0.000 1.793 32 F CB -1.146 38.063 39.000 0.349 0.000 1.994 32 F HN 0.323 nan 8.300 nan 0.000 0.187 33 E N 0.494 120.903 120.200 0.349 0.000 2.481 33 E HA -0.044 4.306 4.350 0.000 0.000 0.195 33 E C 0.064 176.627 176.600 -0.061 0.000 1.047 33 E CA 0.589 57.015 56.400 0.044 0.000 0.867 33 E CB -0.341 29.270 29.700 -0.149 0.000 0.858 33 E HN 0.508 nan 8.360 nan 0.000 0.513 34 W N 1.174 122.549 121.300 0.126 0.000 2.287 34 W HA 0.356 5.016 4.660 0.000 0.000 0.313 34 W C -0.165 176.418 176.519 0.108 0.000 1.267 34 W CA -0.659 56.722 57.345 0.060 0.000 1.201 34 W CB 0.383 29.877 29.460 0.057 0.000 1.196 34 W HN -0.107 nan 8.180 nan 0.000 0.536 35 F N 6.428 126.479 119.950 0.169 0.000 2.480 35 F HA 0.552 5.079 4.527 0.000 0.000 0.329 35 F C -1.824 174.021 175.800 0.074 0.000 1.091 35 F CA -3.031 55.010 58.000 0.067 0.000 0.972 35 F CB 1.239 40.235 39.000 -0.007 0.000 1.150 35 F HN 0.087 nan 8.300 nan 0.000 0.467 36 P HA 0.234 nan 4.420 nan 0.000 0.274 36 P C -0.678 176.240 177.300 -0.635 0.000 1.256 36 P CA -0.296 62.009 63.100 -1.326 0.000 0.795 36 P CB 0.743 31.904 31.700 -0.899 0.000 1.038 37 G N -0.321 108.089 108.800 -0.651 0.000 2.372 37 G HA2 0.472 4.433 3.960 0.000 0.000 0.283 37 G HA3 0.472 4.433 3.960 0.000 0.000 0.283 37 G C -0.594 174.083 174.900 -0.371 0.000 1.177 37 G CA -0.445 44.430 45.100 -0.374 0.000 0.842 37 G HN 0.450 nan 8.290 nan 0.000 0.503 38 V N 0.682 120.444 119.914 -0.254 0.000 3.553 38 V HA -0.196 3.924 4.120 0.000 0.000 0.508 38 V C 0.044 176.001 176.094 -0.228 0.000 0.682 38 V CA 0.343 62.503 62.300 -0.235 0.000 2.060 38 V CB -0.617 31.022 31.823 -0.306 0.000 2.485 38 V HN 1.098 nan 8.190 nan 0.000 0.510 39 R N 3.889 124.297 120.500 -0.154 0.000 2.437 39 R HA 0.785 5.125 4.340 0.000 0.000 0.310 39 R C -0.656 175.580 176.300 -0.107 0.000 0.955 39 R CA -0.720 55.283 56.100 -0.161 0.000 0.851 39 R CB 1.935 32.187 30.300 -0.080 0.000 1.161 39 R HN 0.654 nan 8.270 nan 0.000 0.446 40 I N 3.633 124.081 120.570 -0.204 0.000 2.378 40 I HA 0.323 4.493 4.170 0.000 0.000 0.291 40 I C -0.847 175.197 176.117 -0.121 0.000 0.992 40 I CA -0.814 60.445 61.300 -0.067 0.000 1.154 40 I CB 1.087 39.043 38.000 -0.072 0.000 1.315 40 I HN 0.429 nan 8.210 nan 0.000 0.448 41 Y N 4.447 124.823 120.300 0.128 0.000 2.420 41 Y HA 0.397 4.947 4.550 0.000 0.000 0.334 41 Y C 0.219 176.411 175.900 0.487 0.000 1.094 41 Y CA -0.492 57.751 58.100 0.239 0.000 1.126 41 Y CB 1.191 39.754 38.460 0.171 0.000 1.217 41 Y HN 0.465 nan 8.280 nan 0.000 0.462 42 H N 1.314 120.613 119.070 0.382 0.000 2.492 42 H HA 0.643 5.199 4.556 0.000 0.000 0.345 42 H C -1.333 173.970 175.328 -0.041 0.000 1.136 42 H CA -0.272 55.854 56.048 0.129 0.000 1.202 42 H CB 2.063 31.785 29.762 -0.067 0.000 1.524 42 H HN 0.666 nan 8.280 nan 0.000 0.506 43 S N 2.953 118.066 115.700 -0.978 0.000 2.564 43 S HA 0.295 4.765 4.470 0.000 0.000 0.274 43 S C 0.069 174.243 174.600 -0.709 0.000 1.124 43 S CA -0.759 56.867 58.200 -0.956 0.000 0.869 43 S CB 1.656 63.673 63.200 -1.971 0.000 1.105 43 S HN 0.732 nan 8.310 nan 0.000 0.472 44 K N 1.237 121.446 120.400 -0.319 0.000 2.348 44 K HA 0.163 4.483 4.320 0.000 0.000 0.194 44 K C 0.166 176.678 176.600 -0.146 0.000 1.052 44 K CA 0.869 57.066 56.287 -0.149 0.000 1.004 44 K CB 0.134 32.589 32.500 -0.077 0.000 0.873 44 K HN 0.802 nan 8.250 nan 0.000 0.523 45 D N -0.848 119.367 120.400 -0.309 0.000 2.500 45 D HA 0.080 4.720 4.640 0.000 0.000 0.217 45 D C 0.785 176.846 176.300 -0.398 0.000 1.159 45 D CA -0.225 53.599 54.000 -0.294 0.000 0.828 45 D CB 0.002 40.648 40.800 -0.257 0.000 1.039 45 D HN 0.010 nan 8.370 nan 0.000 0.512 46 L N -1.124 119.760 121.223 -0.565 0.000 4.937 46 L HA -0.323 4.017 4.340 0.000 0.000 0.422 46 L C 1.516 178.302 176.870 -0.140 0.000 1.059 46 L CA 1.366 55.947 54.840 -0.431 0.000 1.111 46 L CB -1.370 40.423 42.059 -0.444 0.000 2.033 46 L HN 0.238 nan 8.230 nan 0.000 0.708 47 K N 0.242 120.484 120.400 -0.264 0.000 2.240 47 K HA 0.142 4.462 4.320 0.000 0.000 0.202 47 K C 0.670 177.243 176.600 -0.044 0.000 1.053 47 K CA 0.323 56.571 56.287 -0.065 0.000 0.973 47 K CB 0.457 32.902 32.500 -0.093 0.000 0.924 47 K HN 0.258 nan 8.250 nan 0.000 0.477 48 N N 0.426 118.977 118.700 -0.249 0.000 2.421 48 N HA 0.144 4.884 4.740 0.000 0.000 0.285 48 N C -1.571 173.935 175.510 -0.007 0.000 1.027 48 N CA -0.167 52.853 53.050 -0.049 0.000 0.918 48 N CB 0.977 39.358 38.487 -0.177 0.000 1.152 48 N HN 0.123 nan 8.380 nan 0.000 0.485 49 W N 1.448 122.958 121.300 0.350 0.000 2.839 49 W HA 0.418 5.078 4.660 0.000 0.000 0.334 49 W C 0.168 176.823 176.519 0.226 0.000 1.064 49 W CA -0.948 56.545 57.345 0.247 0.000 1.236 49 W CB 1.606 31.086 29.460 0.034 0.000 1.405 49 W HN 0.317 nan 8.180 nan 0.000 0.478 50 R N 2.175 122.805 120.500 0.218 0.000 2.686 50 R HA 0.787 5.127 4.340 0.000 0.000 0.286 50 R C -1.427 174.895 176.300 0.037 0.000 0.969 50 R CA -1.205 54.913 56.100 0.030 0.000 0.898 50 R CB 1.721 31.702 30.300 -0.532 0.000 1.183 50 R HN 0.497 nan 8.270 nan 0.000 0.456 51 L N 3.642 124.788 121.223 -0.129 0.000 2.410 51 L HA 0.124 4.464 4.340 0.000 0.000 0.273 51 L C 0.498 177.237 176.870 -0.217 0.000 1.144 51 L CA 0.350 54.875 54.840 -0.526 0.000 0.863 51 L CB 1.659 43.233 42.059 -0.810 0.000 1.140 51 L HN 0.797 nan 8.230 nan 0.000 0.463 52 V N 1.802 121.595 119.914 -0.202 0.000 3.497 52 V HA 0.765 4.886 4.120 0.000 0.000 0.272 52 V C 0.323 176.360 176.094 -0.094 0.000 1.474 52 V CA 0.451 62.691 62.300 -0.102 0.000 1.025 52 V CB -0.158 31.626 31.823 -0.066 0.000 0.820 52 V HN 0.886 nan 8.190 nan 0.000 0.437 53 A N 0.676 123.412 122.820 -0.140 0.000 2.549 53 A HA 0.895 5.216 4.320 0.000 0.000 0.297 53 A C -0.612 176.855 177.584 -0.194 0.000 1.061 53 A CA -0.794 51.173 52.037 -0.116 0.000 0.690 53 A CB 1.554 20.517 19.000 -0.061 0.000 1.287 53 A HN 0.308 nan 8.150 nan 0.000 0.402 54 R N 2.314 122.703 120.500 -0.185 0.000 2.639 54 R HA 0.275 4.615 4.340 0.000 0.000 0.273 54 R C -2.386 173.725 176.300 -0.316 0.000 1.732 54 R CA -1.393 54.553 56.100 -0.256 0.000 1.586 54 R CB 1.327 31.500 30.300 -0.211 0.000 1.263 54 R HN 0.433 nan 8.270 nan 0.000 0.615 55 P HA -0.130 nan 4.420 nan 0.000 0.216 55 P C 0.090 177.078 177.300 -0.519 0.000 1.153 55 P CA 1.011 63.676 63.100 -0.726 0.000 0.848 55 P CB 0.333 31.124 31.700 -1.515 0.000 0.787 56 L N 0.899 121.795 121.223 -0.545 0.000 2.389 56 L HA 0.223 4.563 4.340 0.000 0.000 0.265 56 L C 0.679 177.269 176.870 -0.466 0.000 1.167 56 L CA -0.212 54.337 54.840 -0.485 0.000 1.045 56 L CB -0.473 41.214 42.059 -0.621 0.000 1.351 56 L HN 0.047 nan 8.230 nan 0.000 0.419 57 N N 0.547 119.087 118.700 -0.267 0.000 2.171 57 N HA 0.082 4.822 4.740 0.000 0.000 0.212 57 N C 0.285 175.889 175.510 0.157 0.000 1.184 57 N CA -0.371 52.577 53.050 -0.170 0.000 0.888 57 N CB 0.547 38.959 38.487 -0.125 0.000 1.038 57 N HN 0.307 nan 8.380 nan 0.000 0.517 58 R N -0.019 120.550 120.500 0.115 0.000 2.604 58 R HA 0.335 4.675 4.340 0.000 0.000 0.287 58 R C 0.299 176.684 176.300 0.142 0.000 0.970 58 R CA -0.945 55.233 56.100 0.131 0.000 0.946 58 R CB 1.344 31.683 30.300 0.065 0.000 1.127 58 R HN -0.085 nan 8.270 nan 0.000 0.473 59 L N 1.487 122.764 121.223 0.089 0.000 2.127 59 L HA -0.198 4.142 4.340 0.000 0.000 0.211 59 L C 2.287 179.171 176.870 0.023 0.000 1.089 59 L CA 1.915 56.777 54.840 0.037 0.000 0.757 59 L CB -1.033 41.017 42.059 -0.015 0.000 0.899 59 L HN 0.773 nan 8.230 nan 0.000 0.434 60 S N -1.686 114.027 115.700 0.023 0.000 2.419 60 S HA -0.216 4.254 4.470 0.000 0.000 0.233 60 S C 1.767 176.366 174.600 -0.001 0.000 1.016 60 S CA 1.011 59.217 58.200 0.011 0.000 0.974 60 S CB -0.285 62.928 63.200 0.021 0.000 0.786 60 S HN 0.591 nan 8.310 nan 0.000 0.492 61 Q N -0.313 119.494 119.800 0.012 0.000 2.259 61 Q HA 0.432 4.772 4.340 0.000 0.000 0.201 61 Q C -0.399 175.591 176.000 -0.016 0.000 0.938 61 Q CA 0.386 56.191 55.803 0.004 0.000 0.872 61 Q CB 0.235 28.957 28.738 -0.027 0.000 0.971 61 Q HN 0.449 nan 8.270 nan 0.000 0.494 62 L N 1.319 122.555 121.223 0.022 0.000 2.555 62 L HA 0.414 4.754 4.340 0.000 0.000 0.264 62 L C -1.970 174.974 176.870 0.123 0.000 0.972 62 L CA -0.361 54.522 54.840 0.072 0.000 0.876 62 L CB 1.868 43.954 42.059 0.045 0.000 1.216 62 L HN -0.095 nan 8.230 nan 0.000 0.415 63 N N 5.534 124.267 118.700 0.056 0.000 2.626 63 N HA 0.421 5.162 4.740 0.000 0.000 0.249 63 N C -0.449 175.069 175.510 0.014 0.000 1.021 63 N CA -0.236 52.822 53.050 0.014 0.000 0.886 63 N CB 0.961 39.444 38.487 -0.007 0.000 1.149 63 N HN 0.706 nan 8.380 nan 0.000 0.517 64 M N 2.820 122.417 119.600 -0.005 0.000 2.484 64 M HA 0.281 4.761 4.480 0.000 0.000 0.307 64 M C 0.535 176.777 176.300 -0.096 0.000 1.149 64 M CA -0.457 54.835 55.300 -0.013 0.000 0.972 64 M CB 0.491 33.112 32.600 0.035 0.000 1.400 64 M HN 0.403 nan 8.290 nan 0.000 0.508 65 I N 1.269 121.772 120.570 -0.111 0.000 2.683 65 I HA 0.051 4.221 4.170 0.000 0.000 0.286 65 I C 1.280 177.222 176.117 -0.291 0.000 1.175 65 I CA 1.443 62.639 61.300 -0.173 0.000 1.429 65 I CB 0.535 38.498 38.000 -0.062 0.000 1.371 65 I HN 0.691 nan 8.210 nan 0.000 0.569 66 G N 4.246 112.627 108.800 -0.700 0.000 2.205 66 G HA2 -0.318 3.642 3.960 0.000 0.000 0.261 66 G HA3 -0.318 3.642 3.960 0.000 0.000 0.261 66 G C 0.326 174.967 174.900 -0.431 0.000 0.980 66 G CA 0.139 44.652 45.100 -0.979 0.000 0.632 66 G HN 0.642 nan 8.290 nan 0.000 0.533 67 N N 2.381 120.924 118.700 -0.261 0.000 2.353 67 N HA 0.340 5.080 4.740 0.000 0.000 0.248 67 N C -1.624 173.824 175.510 -0.103 0.000 1.240 67 N CA -0.476 52.504 53.050 -0.117 0.000 0.862 67 N CB 0.730 39.188 38.487 -0.048 0.000 1.086 67 N HN 0.295 nan 8.380 nan 0.000 0.453 68 P HA 0.030 nan 4.420 nan 0.000 0.272 68 P C -0.795 176.519 177.300 0.024 0.000 1.230 68 P CA -0.170 62.932 63.100 0.003 0.000 0.788 68 P CB 0.572 32.302 31.700 0.050 0.000 0.949 69 D N 0.728 121.129 120.400 0.003 0.000 2.493 69 D HA -0.005 4.635 4.640 0.000 0.000 0.240 69 D C 0.807 177.136 176.300 0.050 0.000 1.142 69 D CA 0.833 54.826 54.000 -0.011 0.000 0.872 69 D CB -0.146 40.632 40.800 -0.036 0.000 1.173 69 D HN 0.306 nan 8.370 nan 0.000 0.467 70 S N -0.158 115.591 115.700 0.082 0.000 3.382 70 S HA -0.141 4.330 4.470 0.000 0.000 0.293 70 S C 0.888 175.890 174.600 0.670 0.000 1.262 70 S CA 0.790 59.126 58.200 0.225 0.000 0.969 70 S CB -1.171 61.977 63.200 -0.087 0.000 1.136 70 S HN 0.771 nan 8.310 nan 0.000 0.635 71 G N 0.002 109.106 108.800 0.507 0.000 2.494 71 G HA2 0.669 4.629 3.960 0.000 0.000 0.270 71 G HA3 0.669 4.629 3.960 0.000 0.000 0.270 71 G C 0.922 176.141 174.900 0.533 0.000 1.423 71 G CA 0.334 45.756 45.100 0.536 0.000 1.055 71 G HN 1.513 nan 8.290 nan 0.000 0.536 72 G N -2.030 106.930 108.800 0.266 0.000 2.527 72 G HA2 -0.154 3.807 3.960 0.000 0.000 0.262 72 G HA3 -0.154 3.807 3.960 0.000 0.000 0.262 72 G C -0.015 174.989 174.900 0.173 0.000 1.153 72 G CA 0.166 45.384 45.100 0.197 0.000 0.954 72 G HN 1.481 nan 8.290 nan 0.000 0.552 73 V N 1.858 121.850 119.914 0.130 0.000 2.338 73 V HA 0.422 4.542 4.120 0.000 0.000 0.255 73 V C 0.529 176.477 176.094 -0.242 0.000 1.082 73 V CA -0.121 62.202 62.300 0.038 0.000 0.951 73 V CB -0.149 31.680 31.823 0.011 0.000 1.102 73 V HN 0.460 nan 8.190 nan 0.000 0.489 74 W N 2.250 123.236 121.300 -0.523 0.000 1.835 74 W HA 0.600 5.260 4.660 0.000 0.000 0.458 74 W C 0.950 177.273 176.519 -0.325 0.000 1.983 74 W CA -1.000 55.921 57.345 -0.706 0.000 2.219 74 W CB 0.082 29.329 29.460 -0.356 0.000 1.539 74 W HN 0.519 nan 8.180 nan 0.000 0.760 75 A N 3.844 126.711 122.820 0.078 0.000 2.573 75 A HA 0.176 4.497 4.320 0.000 0.000 0.250 75 A C -2.042 175.678 177.584 0.226 0.000 1.049 75 A CA -0.349 51.766 52.037 0.129 0.000 0.767 75 A CB -1.349 17.759 19.000 0.179 0.000 0.965 75 A HN 0.193 nan 8.150 nan 0.000 0.514 76 P HA 0.296 nan 4.420 nan 0.000 0.283 76 P C -0.959 176.551 177.300 0.349 0.000 1.271 76 P CA -0.317 62.930 63.100 0.244 0.000 0.841 76 P CB 1.059 32.841 31.700 0.136 0.000 1.122 77 H N 1.692 120.912 119.070 0.250 0.000 2.646 77 H HA 0.407 4.963 4.556 0.000 0.000 0.328 77 H C -1.405 174.092 175.328 0.281 0.000 0.998 77 H CA -0.856 55.362 56.048 0.283 0.000 1.225 77 H CB 1.153 31.098 29.762 0.306 0.000 1.457 77 H HN 0.214 nan 8.280 nan 0.000 0.505 78 L N 5.336 126.461 121.223 -0.165 0.000 2.272 78 L HA 0.329 4.669 4.340 0.000 0.000 0.289 78 L C -0.638 176.188 176.870 -0.075 0.000 1.032 78 L CA -0.051 54.786 54.840 -0.004 0.000 0.810 78 L CB 1.111 43.254 42.059 0.140 0.000 1.205 78 L HN 0.668 nan 8.230 nan 0.000 0.422 79 S N 3.547 119.379 115.700 0.219 0.000 2.627 79 S HA 0.624 5.094 4.470 0.000 0.000 0.283 79 S C -1.295 173.658 174.600 0.589 0.000 1.127 79 S CA -0.720 57.714 58.200 0.390 0.000 0.863 79 S CB 1.395 64.860 63.200 0.442 0.000 1.121 79 S HN 0.508 nan 8.310 nan 0.000 0.479 80 Y N 0.688 121.149 120.300 0.267 0.000 2.361 80 Y HA 0.710 5.260 4.550 0.000 0.000 0.337 80 Y C -0.437 175.413 175.900 -0.083 0.000 0.965 80 Y CA 0.027 58.162 58.100 0.058 0.000 1.091 80 Y CB 1.808 40.150 38.460 -0.196 0.000 1.182 80 Y HN 1.039 nan 8.280 nan 0.000 0.450 81 S N 3.827 119.301 115.700 -0.376 0.000 2.547 81 S HA 0.343 4.814 4.470 0.000 0.000 0.270 81 S C -1.563 172.943 174.600 -0.157 0.000 1.150 81 S CA -0.580 57.376 58.200 -0.407 0.000 0.850 81 S CB 0.841 63.359 63.200 -1.136 0.000 1.118 81 S HN 0.820 nan 8.310 nan 0.000 0.461 82 D N 2.071 122.384 120.400 -0.143 0.000 2.708 82 D HA -0.157 4.483 4.640 0.000 0.000 0.236 82 D C 0.906 177.107 176.300 -0.164 0.000 1.146 82 D CA 2.120 56.084 54.000 -0.060 0.000 0.662 82 D CB -1.661 39.194 40.800 0.092 0.000 1.059 82 D HN 1.623 nan 8.370 nan 0.000 0.428 83 G N -0.332 108.272 108.800 -0.327 0.000 2.148 83 G HA2 -0.349 3.611 3.960 0.000 0.000 0.254 83 G HA3 -0.349 3.611 3.960 0.000 0.000 0.254 83 G C 0.218 174.809 174.900 -0.514 0.000 0.981 83 G CA 1.042 45.956 45.100 -0.311 0.000 0.670 83 G HN 0.846 nan 8.290 nan 0.000 0.528 84 K N -1.273 118.603 120.400 -0.873 0.000 2.509 84 K HA 0.760 5.080 4.320 0.000 0.000 0.266 84 K C -0.912 175.161 176.600 -0.879 0.000 0.987 84 K CA -1.388 54.439 56.287 -0.767 0.000 0.868 84 K CB 1.219 33.341 32.500 -0.629 0.000 1.421 84 K HN -0.036 nan 8.250 nan 0.000 0.444 85 F N 0.856 120.589 119.950 -0.362 0.000 2.396 85 F HA 0.353 4.880 4.527 0.000 0.000 0.343 85 F C -0.537 175.220 175.800 -0.071 0.000 1.104 85 F CA 0.104 58.093 58.000 -0.019 0.000 1.161 85 F CB 0.731 39.775 39.000 0.074 0.000 1.146 85 F HN 0.372 nan 8.300 nan 0.000 0.522 86 W N 5.441 126.980 121.300 0.398 0.000 2.471 86 W HA 0.610 5.270 4.660 0.000 0.000 0.318 86 W C -1.308 175.438 176.519 0.378 0.000 1.034 86 W CA -0.778 56.785 57.345 0.364 0.000 1.224 86 W CB 1.317 30.975 29.460 0.330 0.000 1.335 86 W HN 0.156 nan 8.180 nan 0.000 0.452 87 L N 6.016 127.561 121.223 0.537 0.000 2.343 87 L HA 0.612 4.952 4.340 0.000 0.000 0.278 87 L C -1.132 175.948 176.870 0.350 0.000 0.996 87 L CA -0.760 54.276 54.840 0.327 0.000 0.831 87 L CB 0.525 42.587 42.059 0.006 0.000 1.232 87 L HN 0.205 nan 8.230 nan 0.000 0.413 88 I N 6.131 126.899 120.570 0.330 0.000 2.377 88 I HA 0.459 4.629 4.170 0.000 0.000 0.293 88 I C -0.414 175.894 176.117 0.318 0.000 0.987 88 I CA -0.532 60.929 61.300 0.269 0.000 1.185 88 I CB 0.884 39.019 38.000 0.225 0.000 1.341 88 I HN 0.736 nan 8.210 nan 0.000 0.455 89 Y N 2.249 122.632 120.300 0.139 0.000 2.655 89 Y HA 0.771 5.321 4.550 0.000 0.000 0.336 89 Y C -0.245 175.752 175.900 0.162 0.000 1.154 89 Y CA -1.193 56.981 58.100 0.123 0.000 1.055 89 Y CB 1.175 39.673 38.460 0.063 0.000 1.295 89 Y HN 0.597 nan 8.280 nan 0.000 0.465 90 T N -1.097 113.597 114.554 0.234 0.000 2.945 90 T HA 0.475 4.825 4.350 0.000 0.000 0.286 90 T C -1.359 173.494 174.700 0.255 0.000 1.025 90 T CA -0.573 61.597 62.100 0.116 0.000 1.039 90 T CB 1.710 70.560 68.868 -0.030 0.000 1.068 90 T HN 0.723 nan 8.240 nan 0.000 0.497 91 D N 1.650 122.188 120.400 0.229 0.000 2.446 91 D HA 0.383 5.023 4.640 0.000 0.000 0.251 91 D C -0.792 175.489 176.300 -0.031 0.000 1.137 91 D CA -0.515 53.598 54.000 0.189 0.000 0.890 91 D CB 0.950 41.960 40.800 0.351 0.000 1.071 91 D HN 0.454 nan 8.370 nan 0.000 0.528 92 V N 5.474 125.263 119.914 -0.209 0.000 2.461 92 V HA 0.222 4.343 4.120 0.000 0.000 0.275 92 V C 1.276 177.261 176.094 -0.182 0.000 1.047 92 V CA -0.311 61.745 62.300 -0.407 0.000 0.955 92 V CB 1.496 32.729 31.823 -0.984 0.000 0.988 92 V HN 0.406 nan 8.190 nan 0.000 0.471 93 K N 3.104 123.389 120.400 -0.191 0.000 2.313 93 K HA 0.265 4.586 4.320 0.000 0.000 0.197 93 K C 0.034 176.594 176.600 -0.067 0.000 1.061 93 K CA 0.598 56.832 56.287 -0.089 0.000 0.980 93 K CB 0.821 33.278 32.500 -0.072 0.000 0.888 93 K HN 0.456 nan 8.250 nan 0.000 0.502 94 V N 2.399 122.247 119.914 -0.110 0.000 2.487 94 V HA 0.176 4.296 4.120 0.000 0.000 0.298 94 V C 0.606 176.682 176.094 -0.030 0.000 1.028 94 V CA -0.619 61.654 62.300 -0.046 0.000 0.860 94 V CB 1.856 33.660 31.823 -0.031 0.000 0.991 94 V HN 0.028 nan 8.190 nan 0.000 0.427 95 V N 0.695 120.655 119.914 0.077 0.000 3.380 95 V HA 0.548 4.668 4.120 0.000 0.000 0.307 95 V C 0.238 176.435 176.094 0.172 0.000 1.434 95 V CA 0.205 62.616 62.300 0.185 0.000 1.075 95 V CB -0.111 31.903 31.823 0.319 0.000 0.954 95 V HN 0.819 nan 8.190 nan 0.000 0.444 96 E N 0.190 120.473 120.200 0.138 0.000 2.356 96 E HA 0.634 4.984 4.350 0.000 0.000 0.275 96 E C 0.105 176.816 176.600 0.184 0.000 0.904 96 E CA -0.167 56.324 56.400 0.152 0.000 0.757 96 E CB 2.319 32.089 29.700 0.116 0.000 1.232 96 E HN 0.568 nan 8.360 nan 0.000 0.442 97 G N 1.421 110.342 108.800 0.202 0.000 2.548 97 G HA2 -0.245 3.715 3.960 0.000 0.000 0.208 97 G HA3 -0.245 3.715 3.960 0.000 0.000 0.208 97 G C 0.371 175.417 174.900 0.243 0.000 1.308 97 G CA -0.428 44.805 45.100 0.221 0.000 0.924 97 G HN 0.429 nan 8.290 nan 0.000 0.540 98 Q N -0.793 119.102 119.800 0.159 0.000 2.224 98 Q HA 0.037 4.377 4.340 0.000 0.000 0.203 98 Q C 0.986 177.049 176.000 0.105 0.000 0.970 98 Q CA 1.279 57.036 55.803 -0.077 0.000 0.865 98 Q CB 0.098 28.451 28.738 -0.642 0.000 0.922 98 Q HN 0.526 nan 8.270 nan 0.000 0.445 99 W N 0.195 121.685 121.300 0.316 0.000 2.509 99 W HA 0.353 5.013 4.660 0.000 0.000 0.351 99 W C 0.608 176.967 176.519 -0.266 0.000 1.107 99 W CA -0.781 56.651 57.345 0.146 0.000 1.264 99 W CB 0.947 30.416 29.460 0.016 0.000 1.312 99 W HN -0.196 nan 8.180 nan 0.000 0.608 100 K N 1.326 121.404 120.400 -0.537 0.000 3.165 100 K HA 0.107 4.428 4.320 0.000 0.000 0.206 100 K C -0.823 175.464 176.600 -0.522 0.000 1.123 100 K CA -0.136 55.723 56.287 -0.714 0.000 0.978 100 K CB -0.423 31.241 32.500 -1.394 0.000 0.749 100 K HN 0.128 nan 8.250 nan 0.000 0.454 101 D N 0.898 121.114 120.400 -0.307 0.000 2.658 101 D HA 0.227 4.867 4.640 0.000 0.000 0.230 101 D C 0.494 176.527 176.300 -0.445 0.000 1.118 101 D CA 1.124 54.934 54.000 -0.316 0.000 0.848 101 D CB 0.885 41.552 40.800 -0.223 0.000 1.160 101 D HN 0.481 nan 8.370 nan 0.000 0.497 102 G N 1.270 109.709 108.800 -0.602 0.000 2.547 102 G HA2 0.423 4.383 3.960 0.000 0.000 0.291 102 G HA3 0.423 4.383 3.960 0.000 0.000 0.291 102 G C -1.706 172.748 174.900 -0.743 0.000 1.471 102 G CA -0.801 43.902 45.100 -0.662 0.000 0.798 102 G HN 0.434 nan 8.290 nan 0.000 0.504 103 H N 0.351 119.340 119.070 -0.135 0.000 2.768 103 H HA 0.497 5.053 4.556 0.000 0.000 0.371 103 H C -0.731 174.354 175.328 -0.405 0.000 1.151 103 H CA -0.801 55.118 56.048 -0.215 0.000 1.165 103 H CB 2.321 31.993 29.762 -0.149 0.000 1.722 103 H HN 0.373 nan 8.280 nan 0.000 0.543 104 N N 1.836 120.252 118.700 -0.473 0.000 2.372 104 N HA 0.288 5.029 4.740 0.000 0.000 0.291 104 N C -1.072 173.991 175.510 -0.744 0.000 1.024 104 N CA -0.324 52.435 53.050 -0.485 0.000 0.873 104 N CB 1.751 40.051 38.487 -0.312 0.000 1.206 104 N HN 0.437 nan 8.380 nan 0.000 0.486 105 Y N 0.240 120.287 120.300 -0.422 0.000 2.524 105 Y HA 0.490 5.040 4.550 0.000 0.000 0.347 105 Y C -0.367 175.312 175.900 -0.368 0.000 1.005 105 Y CA -1.105 56.724 58.100 -0.452 0.000 1.025 105 Y CB 1.898 39.926 38.460 -0.721 0.000 1.275 105 Y HN 0.318 nan 8.280 nan 0.000 0.460 106 L N 4.397 125.638 121.223 0.029 0.000 2.322 106 L HA 0.909 5.249 4.340 0.000 0.000 0.281 106 L C -1.074 175.944 176.870 0.247 0.000 1.014 106 L CA -0.725 54.189 54.840 0.122 0.000 0.815 106 L CB 1.335 43.414 42.059 0.034 0.000 1.247 106 L HN 0.476 nan 8.230 nan 0.000 0.421 107 V N 1.176 121.296 119.914 0.344 0.000 2.962 107 V HA 0.962 5.082 4.120 0.000 0.000 0.313 107 V C -0.302 176.036 176.094 0.406 0.000 1.099 107 V CA 0.142 62.654 62.300 0.354 0.000 0.971 107 V CB 1.620 33.675 31.823 0.387 0.000 1.028 107 V HN 0.968 nan 8.190 nan 0.000 0.430 108 T N -0.284 114.434 114.554 0.272 0.000 2.916 108 T HA 0.798 5.148 4.350 0.000 0.000 0.292 108 T C -0.778 173.783 174.700 -0.232 0.000 1.055 108 T CA -0.638 61.473 62.100 0.018 0.000 1.009 108 T CB 1.590 70.229 68.868 -0.383 0.000 1.118 108 T HN 1.458 nan 8.240 nan 0.000 0.497 109 C N 1.203 120.114 119.300 -0.648 0.000 3.090 109 C HA 0.491 4.951 4.460 0.000 0.000 0.347 109 C C 0.664 175.361 174.990 -0.488 0.000 1.147 109 C CA -0.481 58.045 59.018 -0.819 0.000 1.305 109 C CB 1.111 27.775 27.740 -1.792 0.000 1.692 109 C HN 1.059 nan 8.230 nan 0.000 0.506 110 D N 1.097 121.295 120.400 -0.338 0.000 2.218 110 D HA 0.055 4.695 4.640 0.000 0.000 0.204 110 D C 0.935 177.216 176.300 -0.033 0.000 0.976 110 D CA 1.551 55.440 54.000 -0.186 0.000 0.853 110 D CB 0.290 40.998 40.800 -0.153 0.000 0.939 110 D HN 0.664 nan 8.370 nan 0.000 0.481 111 T N -1.458 113.036 114.554 -0.099 0.000 2.887 111 T HA 0.308 4.658 4.350 0.000 0.000 0.292 111 T C 0.730 175.273 174.700 -0.261 0.000 1.087 111 T CA -0.794 61.309 62.100 0.005 0.000 1.009 111 T CB 1.317 70.141 68.868 -0.074 0.000 1.203 111 T HN -0.256 nan 8.240 nan 0.000 0.518 112 I N 1.483 121.826 120.570 -0.378 0.000 2.439 112 I HA 0.052 4.222 4.170 0.000 0.000 0.251 112 I C 1.104 177.132 176.117 -0.149 0.000 1.139 112 I CA 1.612 62.525 61.300 -0.645 0.000 1.438 112 I CB 0.046 37.506 38.000 -0.901 0.000 1.085 112 I HN 0.762 nan 8.210 nan 0.000 0.427 113 D N -1.344 118.979 120.400 -0.129 0.000 2.501 113 D HA 0.241 4.881 4.640 0.000 0.000 0.224 113 D C 0.940 177.219 176.300 -0.035 0.000 1.202 113 D CA 0.044 54.032 54.000 -0.019 0.000 0.829 113 D CB -0.710 40.056 40.800 -0.056 0.000 1.023 113 D HN 0.209 nan 8.370 nan 0.000 0.499 114 G N 0.107 108.816 108.800 -0.152 0.000 2.531 114 G HA2 0.507 4.467 3.960 0.000 0.000 0.253 114 G HA3 0.507 4.467 3.960 0.000 0.000 0.253 114 G C -0.386 174.447 174.900 -0.113 0.000 1.439 114 G CA -0.519 44.484 45.100 -0.162 0.000 1.056 114 G HN 0.302 nan 8.290 nan 0.000 0.555 115 A N -0.744 122.006 122.820 -0.117 0.000 2.391 115 A HA 0.518 4.838 4.320 0.000 0.000 0.316 115 A C -0.800 176.751 177.584 -0.056 0.000 1.381 115 A CA -0.596 51.429 52.037 -0.019 0.000 0.998 115 A CB -0.329 18.663 19.000 -0.013 0.000 1.147 115 A HN 0.421 nan 8.150 nan 0.000 0.545 116 W N 2.452 123.715 121.300 -0.061 0.000 2.158 116 W HA 0.335 4.995 4.660 0.000 0.000 0.339 116 W C 1.273 177.772 176.519 -0.033 0.000 1.294 116 W CA 0.677 57.990 57.345 -0.054 0.000 1.231 116 W CB 0.588 30.009 29.460 -0.065 0.000 1.143 116 W HN 0.828 nan 8.180 nan 0.000 0.571 117 S N 1.333 117.137 115.700 0.174 0.000 2.572 117 S HA -0.007 4.463 4.470 0.000 0.000 0.267 117 S C -0.009 174.677 174.600 0.143 0.000 1.361 117 S CA -0.714 57.554 58.200 0.113 0.000 1.009 117 S CB 0.517 63.763 63.200 0.078 0.000 0.888 117 S HN 0.417 nan 8.310 nan 0.000 0.553 118 D N 2.533 122.995 120.400 0.103 0.000 2.382 118 D HA 0.321 4.961 4.640 0.000 0.000 0.240 118 D C -1.948 174.435 176.300 0.137 0.000 1.146 118 D CA -1.002 53.059 54.000 0.102 0.000 0.897 118 D CB 0.242 41.086 40.800 0.073 0.000 1.197 118 D HN 0.443 nan 8.370 nan 0.000 0.432 119 P HA 0.205 nan 4.420 nan 0.000 0.275 119 P C -0.388 177.046 177.300 0.223 0.000 1.227 119 P CA -0.170 63.050 63.100 0.199 0.000 0.781 119 P CB 0.766 32.536 31.700 0.117 0.000 0.906 120 I N 3.190 123.906 120.570 0.243 0.000 2.321 120 I HA 0.172 4.342 4.170 0.000 0.000 0.291 120 I C 0.417 176.693 176.117 0.265 0.000 0.998 120 I CA -1.051 60.397 61.300 0.247 0.000 1.227 120 I CB 0.618 38.763 38.000 0.240 0.000 1.368 120 I HN 0.341 nan 8.210 nan 0.000 0.466 121 Y N 6.914 127.314 120.300 0.167 0.000 2.442 121 Y HA 0.183 4.734 4.550 0.000 0.000 0.330 121 Y C 0.059 175.952 175.900 -0.012 0.000 1.129 121 Y CA 0.240 58.358 58.100 0.030 0.000 1.365 121 Y CB 0.700 39.167 38.460 0.012 0.000 1.233 121 Y HN 0.523 nan 8.280 nan 0.000 0.529 122 L N 3.905 124.595 121.223 -0.888 0.000 2.546 122 L HA 0.217 4.557 4.340 0.000 0.000 0.185 122 L C 0.047 176.410 176.870 -0.845 0.000 1.247 122 L CA 0.200 54.666 54.840 -0.622 0.000 0.848 122 L CB -0.177 41.641 42.059 -0.402 0.000 1.133 122 L HN 0.768 nan 8.230 nan 0.000 0.504 123 N N -3.118 115.053 118.700 -0.881 0.000 3.449 123 N HA 0.193 4.933 4.740 0.000 0.000 0.312 123 N C -0.673 174.662 175.510 -0.291 0.000 1.582 123 N CA -0.400 52.347 53.050 -0.506 0.000 0.850 123 N CB 1.402 39.774 38.487 -0.192 0.000 1.822 123 N HN -0.148 nan 8.380 nan 0.000 0.577 124 S N -1.285 114.383 115.700 -0.054 0.000 2.993 124 S HA 0.095 4.565 4.470 0.000 0.000 0.257 124 S C 0.716 175.242 174.600 -0.123 0.000 0.997 124 S CA 0.109 58.294 58.200 -0.026 0.000 1.191 124 S CB -0.317 62.983 63.200 0.168 0.000 1.143 124 S HN 0.685 nan 8.310 nan 0.000 0.655 125 S N 1.391 117.006 115.700 -0.142 0.000 2.507 125 S HA 0.398 4.868 4.470 0.000 0.000 0.235 125 S C 1.023 175.443 174.600 -0.300 0.000 0.988 125 S CA 0.568 58.611 58.200 -0.262 0.000 0.944 125 S CB 0.070 63.135 63.200 -0.224 0.000 0.762 125 S HN 0.747 nan 8.310 nan 0.000 0.526 126 G N 0.300 108.970 108.800 -0.217 0.000 2.340 126 G HA2 0.402 4.362 3.960 0.000 0.000 0.298 126 G HA3 0.402 4.362 3.960 0.000 0.000 0.298 126 G C -0.593 174.172 174.900 -0.226 0.000 1.498 126 G CA -0.694 44.253 45.100 -0.254 0.000 0.847 126 G HN 0.342 nan 8.290 nan 0.000 0.594 127 F N -0.630 119.242 119.950 -0.130 0.000 2.181 127 F HA 0.684 5.211 4.527 0.000 0.000 0.285 127 F C 0.737 176.566 175.800 0.048 0.000 1.134 127 F CA -0.019 57.924 58.000 -0.095 0.000 1.139 127 F CB 0.059 38.971 39.000 -0.147 0.000 1.614 127 F HN 0.420 nan 8.300 nan 0.000 0.519 128 D N -0.305 120.365 120.400 0.451 0.000 2.689 128 D HA -0.123 4.517 4.640 0.000 0.000 0.237 128 D C -2.446 173.924 176.300 0.117 0.000 1.148 128 D CA 0.489 54.685 54.000 0.327 0.000 0.656 128 D CB -1.689 39.341 40.800 0.383 0.000 1.050 128 D HN 0.362 nan 8.370 nan 0.000 0.426 129 P HA 0.191 nan 4.420 nan 0.000 0.271 129 P C -0.286 177.048 177.300 0.056 0.000 1.216 129 P CA 0.009 63.128 63.100 0.031 0.000 0.776 129 P CB 1.564 33.271 31.700 0.013 0.000 0.881 130 S N 2.041 117.718 115.700 -0.039 0.000 2.572 130 S HA 0.480 4.950 4.470 0.000 0.000 0.274 130 S C -1.384 173.150 174.600 -0.110 0.000 1.150 130 S CA -0.677 57.408 58.200 -0.190 0.000 0.944 130 S CB 0.553 63.551 63.200 -0.336 0.000 1.071 130 S HN 0.329 nan 8.310 nan 0.000 0.479 131 L N 5.281 126.518 121.223 0.024 0.000 2.282 131 L HA 0.721 5.061 4.340 0.000 0.000 0.288 131 L C -1.108 175.712 176.870 -0.083 0.000 1.033 131 L CA -0.359 54.458 54.840 -0.038 0.000 0.807 131 L CB 0.865 42.865 42.059 -0.098 0.000 1.209 131 L HN 0.667 nan 8.230 nan 0.000 0.423 132 F N 4.794 124.605 119.950 -0.231 0.000 2.420 132 F HA 0.456 4.983 4.527 0.000 0.000 0.342 132 F C -0.341 175.327 175.800 -0.221 0.000 1.113 132 F CA -0.355 57.553 58.000 -0.155 0.000 1.059 132 F CB 0.611 39.609 39.000 -0.003 0.000 1.128 132 F HN 0.487 nan 8.300 nan 0.000 0.475 133 H N 4.773 123.461 119.070 -0.637 0.000 2.685 133 H HA 0.166 4.722 4.556 0.000 0.000 0.286 133 H C -0.474 174.353 175.328 -0.835 0.000 1.102 133 H CA -0.582 55.115 56.048 -0.585 0.000 1.254 133 H CB 0.630 30.161 29.762 -0.385 0.000 1.397 133 H HN 0.593 nan 8.280 nan 0.000 0.473 134 D N 1.431 121.533 120.400 -0.498 0.000 2.360 134 D HA -0.042 4.599 4.640 0.000 0.000 0.242 134 D C 1.246 177.545 176.300 -0.001 0.000 1.184 134 D CA -0.155 53.728 54.000 -0.194 0.000 0.930 134 D CB 1.181 42.199 40.800 0.362 0.000 1.161 134 D HN 0.448 nan 8.370 nan 0.000 0.447 135 E N -0.266 119.998 120.200 0.106 0.000 2.333 135 E HA -0.138 4.212 4.350 0.000 0.000 0.198 135 E C 0.628 177.278 176.600 0.084 0.000 1.007 135 E CA 0.910 57.364 56.400 0.090 0.000 0.845 135 E CB 0.129 29.892 29.700 0.105 0.000 0.766 135 E HN 0.425 nan 8.360 nan 0.000 0.507 136 D N -2.132 118.336 120.400 0.114 0.000 2.339 136 D HA 0.106 4.746 4.640 0.000 0.000 0.217 136 D C 1.224 177.564 176.300 0.067 0.000 1.050 136 D CA 0.609 54.667 54.000 0.097 0.000 0.856 136 D CB 0.119 40.997 40.800 0.129 0.000 0.922 136 D HN 0.138 nan 8.370 nan 0.000 0.518 137 G N 0.305 109.133 108.800 0.047 0.000 2.176 137 G HA2 -0.326 3.634 3.960 0.000 0.000 0.253 137 G HA3 -0.326 3.634 3.960 0.000 0.000 0.253 137 G C 0.273 175.172 174.900 -0.002 0.000 0.979 137 G CA -0.073 45.036 45.100 0.016 0.000 0.641 137 G HN 0.461 nan 8.290 nan 0.000 0.530 138 R N -0.041 120.470 120.500 0.018 0.000 2.500 138 R HA 0.642 4.982 4.340 0.000 0.000 0.275 138 R C -0.174 176.023 176.300 -0.171 0.000 1.051 138 R CA -0.213 55.840 56.100 -0.078 0.000 1.088 138 R CB 0.676 30.954 30.300 -0.037 0.000 1.063 138 R HN 0.097 nan 8.270 nan 0.000 0.511 139 K N 1.602 121.781 120.400 -0.368 0.000 2.270 139 K HA 0.387 4.707 4.320 0.000 0.000 0.255 139 K C -1.581 174.742 176.600 -0.461 0.000 0.936 139 K CA -0.389 55.721 56.287 -0.295 0.000 0.809 139 K CB 1.412 33.834 32.500 -0.131 0.000 1.131 139 K HN 0.376 nan 8.250 nan 0.000 0.427 140 Y N 1.826 122.156 120.300 0.051 0.000 2.406 140 Y HA 0.435 4.986 4.550 0.000 0.000 0.340 140 Y C -0.956 174.960 175.900 0.028 0.000 0.975 140 Y CA -1.073 57.079 58.100 0.087 0.000 1.056 140 Y CB 1.509 40.050 38.460 0.134 0.000 1.210 140 Y HN 0.323 nan 8.280 nan 0.000 0.448 141 L N 5.286 126.593 121.223 0.140 0.000 2.289 141 L HA 0.774 5.114 4.340 0.000 0.000 0.285 141 L C -0.657 176.222 176.870 0.014 0.000 1.049 141 L CA -0.662 54.201 54.840 0.037 0.000 0.804 141 L CB 0.993 43.048 42.059 -0.006 0.000 1.195 141 L HN 0.485 nan 8.230 nan 0.000 0.428 142 V N 3.387 123.278 119.914 -0.039 0.000 2.581 142 V HA 0.775 4.895 4.120 0.000 0.000 0.303 142 V C -0.734 175.317 176.094 -0.072 0.000 1.041 142 V CA -0.558 61.696 62.300 -0.076 0.000 0.907 142 V CB 1.571 33.308 31.823 -0.143 0.000 0.994 142 V HN 0.957 nan 8.190 nan 0.000 0.442 143 N N 2.999 121.668 118.700 -0.052 0.000 2.825 143 N HA 0.471 5.211 4.740 0.000 0.000 0.253 143 N C -0.731 174.752 175.510 -0.044 0.000 1.426 143 N CA -0.881 52.134 53.050 -0.057 0.000 0.851 143 N CB 2.122 40.572 38.487 -0.062 0.000 1.470 143 N HN 0.890 nan 8.380 nan 0.000 0.517 144 M N -0.540 118.991 119.600 -0.116 0.000 2.226 144 M HA 0.387 4.867 4.480 0.000 0.000 0.324 144 M C -1.049 175.223 176.300 -0.048 0.000 1.112 144 M CA 0.074 55.308 55.300 -0.110 0.000 1.176 144 M CB 0.062 32.485 32.600 -0.295 0.000 1.430 144 M HN 0.538 nan 8.290 nan 0.000 0.462 145 Y N 2.804 123.064 120.300 -0.067 0.000 2.328 145 Y HA 0.400 4.950 4.550 0.000 0.000 0.336 145 Y C -1.529 174.361 175.900 -0.016 0.000 0.960 145 Y CA -0.579 57.514 58.100 -0.012 0.000 1.134 145 Y CB 0.920 39.425 38.460 0.075 0.000 1.166 145 Y HN 0.824 nan 8.280 nan 0.000 0.464 146 W N 8.102 129.144 121.300 -0.430 0.000 2.338 146 W HA 0.267 4.927 4.660 0.000 0.000 0.307 146 W C -1.213 175.163 176.519 -0.238 0.000 1.167 146 W CA -0.396 56.749 57.345 -0.334 0.000 1.208 146 W CB 1.331 30.603 29.460 -0.313 0.000 1.228 146 W HN 0.564 nan 8.180 nan 0.000 0.499 147 D N 4.840 124.767 120.400 -0.788 0.000 2.303 147 D HA 0.041 4.681 4.640 0.000 0.000 0.236 147 D C 1.159 176.959 176.300 -0.832 0.000 1.068 147 D CA -0.112 53.531 54.000 -0.595 0.000 0.830 147 D CB 0.903 41.504 40.800 -0.332 0.000 1.109 147 D HN 0.567 nan 8.370 nan 0.000 0.496 148 H N 2.403 121.149 119.070 -0.540 0.000 2.592 148 H HA 0.251 4.807 4.556 0.000 0.000 0.265 148 H C 0.002 175.040 175.328 -0.485 0.000 0.955 148 H CA -0.261 55.454 56.048 -0.555 0.000 1.175 148 H CB 0.351 29.672 29.762 -0.735 0.000 1.433 148 H HN 0.125 nan 8.280 nan 0.000 0.537 149 R N 1.001 120.954 120.500 -0.912 0.000 2.643 149 R HA 0.107 4.447 4.340 0.000 0.000 0.270 149 R C 1.427 177.591 176.300 -0.227 0.000 1.061 149 R CA 0.080 55.812 56.100 -0.615 0.000 1.107 149 R CB 1.279 31.170 30.300 -0.681 0.000 0.999 149 R HN -0.081 nan 8.270 nan 0.000 0.460 150 V N 1.490 121.336 119.914 -0.113 0.000 2.287 150 V HA -0.260 3.861 4.120 0.000 0.000 0.248 150 V C 1.308 177.413 176.094 0.019 0.000 1.053 150 V CA 2.226 64.504 62.300 -0.036 0.000 1.027 150 V CB -0.564 31.255 31.823 -0.007 0.000 0.646 150 V HN 0.889 nan 8.190 nan 0.000 0.447 151 D N -1.551 118.905 120.400 0.093 0.000 2.323 151 D HA 0.014 4.654 4.640 0.000 0.000 0.239 151 D C 0.338 176.568 176.300 -0.117 0.000 1.129 151 D CA 0.082 54.089 54.000 0.011 0.000 0.865 151 D CB -0.521 40.259 40.800 -0.032 0.000 0.913 151 D HN 0.562 nan 8.370 nan 0.000 0.517 152 H N -1.306 117.716 119.070 -0.080 0.000 2.747 152 H HA 0.362 4.918 4.556 0.000 0.000 0.371 152 H C -0.954 174.349 175.328 -0.040 0.000 1.161 152 H CA -0.960 55.053 56.048 -0.058 0.000 1.167 152 H CB 1.138 30.839 29.762 -0.101 0.000 1.732 152 H HN -0.015 nan 8.280 nan 0.000 0.544 153 H N 3.112 122.197 119.070 0.024 0.000 2.722 153 H HA 0.134 4.690 4.556 0.000 0.000 0.328 153 H C -1.763 173.546 175.328 -0.032 0.000 1.067 153 H CA -1.852 54.201 56.048 0.008 0.000 1.447 153 H CB 1.085 30.853 29.762 0.011 0.000 1.469 153 H HN 0.441 nan 8.280 nan 0.000 0.544 154 P HA -0.104 nan 4.420 nan 0.000 0.218 154 P C -0.381 176.446 177.300 -0.788 0.000 1.149 154 P CA 1.135 63.660 63.100 -0.959 0.000 0.817 154 P CB 0.160 31.050 31.700 -1.350 0.000 0.785 155 F N -1.245 118.339 119.950 -0.609 0.000 2.567 155 F HA 0.151 4.678 4.527 0.000 0.000 0.352 155 F C 1.382 177.232 175.800 0.084 0.000 1.229 155 F CA -0.655 57.265 58.000 -0.133 0.000 1.228 155 F CB -0.457 38.562 39.000 0.032 0.000 1.568 155 F HN -0.114 nan 8.300 nan 0.000 0.634 156 Y N 2.114 122.432 120.300 0.030 0.000 2.680 156 Y HA 0.198 4.748 4.550 0.000 0.000 0.303 156 Y C 1.358 177.293 175.900 0.059 0.000 1.166 156 Y CA 0.778 58.919 58.100 0.067 0.000 1.344 156 Y CB -0.396 38.135 38.460 0.120 0.000 1.002 156 Y HN 0.616 nan 8.280 nan 0.000 0.537 157 G N -0.070 108.823 108.800 0.155 0.000 2.447 157 G HA2 -0.124 3.836 3.960 0.000 0.000 0.220 157 G HA3 -0.124 3.836 3.960 0.000 0.000 0.220 157 G C -1.422 173.553 174.900 0.125 0.000 1.261 157 G CA -0.517 44.623 45.100 0.066 0.000 1.000 157 G HN -0.022 nan 8.290 nan 0.000 0.515 158 I N 0.786 121.411 120.570 0.093 0.000 2.336 158 I HA 0.600 4.770 4.170 0.000 0.000 0.292 158 I C 0.761 176.896 176.117 0.030 0.000 0.991 158 I CA -0.888 60.450 61.300 0.064 0.000 1.227 158 I CB 0.639 38.658 38.000 0.032 0.000 1.366 158 I HN 0.585 nan 8.210 nan 0.000 0.466 159 V N 7.922 127.864 119.914 0.048 0.000 2.713 159 V HA 0.637 4.757 4.120 0.000 0.000 0.307 159 V C -0.801 175.280 176.094 -0.021 0.000 1.052 159 V CA -0.586 61.732 62.300 0.029 0.000 0.967 159 V CB 2.489 34.401 31.823 0.149 0.000 1.019 159 V HN 0.625 nan 8.190 nan 0.000 0.459 160 L N 4.722 125.918 121.223 -0.046 0.000 2.422 160 L HA 0.681 5.021 4.340 0.000 0.000 0.264 160 L C -0.900 175.983 176.870 0.022 0.000 0.984 160 L CA 0.110 54.899 54.840 -0.084 0.000 0.819 160 L CB 1.967 43.841 42.059 -0.309 0.000 1.330 160 L HN 0.811 nan 8.230 nan 0.000 0.410 161 Q N 2.595 122.456 119.800 0.102 0.000 2.320 161 Q HA 0.284 4.624 4.340 0.000 0.000 0.272 161 Q C -1.543 174.590 176.000 0.221 0.000 1.023 161 Q CA -0.647 55.263 55.803 0.178 0.000 0.855 161 Q CB 2.085 30.900 28.738 0.128 0.000 1.367 161 Q HN 0.749 nan 8.270 nan 0.000 0.406 162 E N 2.062 122.401 120.200 0.232 0.000 2.384 162 E HA -0.002 4.348 4.350 0.000 0.000 0.266 162 E C -1.516 175.099 176.600 0.024 0.000 1.012 162 E CA -0.005 56.400 56.400 0.008 0.000 0.901 162 E CB 0.603 30.251 29.700 -0.086 0.000 0.967 162 E HN 0.448 nan 8.360 nan 0.000 0.435 163 Y N 3.297 123.499 120.300 -0.163 0.000 2.335 163 Y HA 0.192 4.742 4.550 0.000 0.000 0.339 163 Y C -0.388 175.454 175.900 -0.097 0.000 0.987 163 Y CA -0.614 57.429 58.100 -0.094 0.000 1.140 163 Y CB 1.436 39.854 38.460 -0.070 0.000 1.173 163 Y HN 0.344 nan 8.280 nan 0.000 0.486 164 S N 5.547 120.870 115.700 -0.629 0.000 2.416 164 S HA 0.217 4.687 4.470 0.000 0.000 0.287 164 S C 0.800 174.944 174.600 -0.761 0.000 1.139 164 S CA -0.560 57.330 58.200 -0.518 0.000 1.058 164 S CB 0.217 63.240 63.200 -0.295 0.000 0.967 164 S HN 0.731 nan 8.310 nan 0.000 0.495 165 V N 5.446 125.124 119.914 -0.392 0.000 2.287 165 V HA -0.156 3.965 4.120 0.000 0.000 0.248 165 V C 2.594 178.649 176.094 -0.065 0.000 1.053 165 V CA 2.327 64.576 62.300 -0.085 0.000 1.027 165 V CB -0.782 31.140 31.823 0.165 0.000 0.646 165 V HN 0.960 nan 8.190 nan 0.000 0.447 166 E N -0.050 120.106 120.200 -0.074 0.000 2.058 166 E HA -0.289 4.061 4.350 0.000 0.000 0.194 166 E C 2.152 178.722 176.600 -0.051 0.000 0.997 166 E CA 1.778 58.154 56.400 -0.040 0.000 0.801 166 E CB -0.055 29.622 29.700 -0.037 0.000 0.746 166 E HN 0.712 nan 8.360 nan 0.000 0.450 167 Q N -0.358 119.379 119.800 -0.104 0.000 2.408 167 Q HA 0.054 4.394 4.340 0.000 0.000 0.205 167 Q C -0.069 175.892 176.000 -0.066 0.000 0.919 167 Q CA 0.105 55.862 55.803 -0.077 0.000 0.932 167 Q CB 0.388 29.076 28.738 -0.084 0.000 1.058 167 Q HN 0.133 nan 8.270 nan 0.000 0.517 168 K N 1.246 121.574 120.400 -0.120 0.000 3.071 168 K HA -0.222 4.099 4.320 0.000 0.000 0.265 168 K C -0.774 175.877 176.600 0.085 0.000 1.060 168 K CA 0.978 57.279 56.287 0.024 0.000 0.767 168 K CB -1.419 31.156 32.500 0.124 0.000 1.241 168 K HN 0.337 nan 8.250 nan 0.000 0.486 169 K N -1.032 119.308 120.400 -0.100 0.000 2.579 169 K HA 0.447 4.767 4.320 0.000 0.000 0.284 169 K C -0.743 175.851 176.600 -0.009 0.000 0.990 169 K CA -1.209 55.117 56.287 0.067 0.000 0.880 169 K CB 1.149 33.687 32.500 0.064 0.000 1.488 169 K HN -0.030 nan 8.250 nan 0.000 0.425 170 L N 1.927 123.238 121.223 0.145 0.000 2.426 170 L HA 0.310 4.650 4.340 0.000 0.000 0.271 170 L C 0.266 177.162 176.870 0.042 0.000 1.169 170 L CA -0.629 54.280 54.840 0.116 0.000 0.836 170 L CB 0.969 43.098 42.059 0.116 0.000 1.112 170 L HN 0.549 nan 8.230 nan 0.000 0.465 171 V N -0.215 119.714 119.914 0.025 0.000 3.046 171 V HA 1.032 5.152 4.120 0.000 0.000 0.316 171 V C 0.387 176.512 176.094 0.052 0.000 1.104 171 V CA 0.030 62.342 62.300 0.019 0.000 1.006 171 V CB 1.086 32.897 31.823 -0.019 0.000 1.058 171 V HN 1.030 nan 8.190 nan 0.000 0.440 172 G N 1.394 110.222 108.800 0.048 0.000 2.598 172 G HA2 -0.094 3.866 3.960 0.000 0.000 0.244 172 G HA3 -0.094 3.866 3.960 0.000 0.000 0.244 172 G C -0.547 174.398 174.900 0.075 0.000 1.302 172 G CA 0.243 45.380 45.100 0.062 0.000 0.903 172 G HN 1.180 nan 8.290 nan 0.000 0.575 173 E N 1.533 121.786 120.200 0.087 0.000 2.179 173 E HA 0.503 4.853 4.350 0.000 0.000 0.275 173 E C -2.215 174.462 176.600 0.128 0.000 0.945 173 E CA -1.673 54.781 56.400 0.090 0.000 0.792 173 E CB 1.762 31.502 29.700 0.067 0.000 1.125 173 E HN 0.440 nan 8.360 nan 0.000 0.397 174 P HA 0.219 nan 4.420 nan 0.000 0.279 174 P C -0.565 176.792 177.300 0.094 0.000 1.239 174 P CA -0.354 62.817 63.100 0.119 0.000 0.789 174 P CB 0.974 32.745 31.700 0.118 0.000 0.933 175 K N 2.598 123.062 120.400 0.106 0.000 2.468 175 K HA 0.432 4.753 4.320 0.000 0.000 0.252 175 K C -0.132 176.480 176.600 0.021 0.000 0.932 175 K CA -0.938 55.403 56.287 0.091 0.000 0.794 175 K CB 2.092 34.737 32.500 0.242 0.000 1.241 175 K HN 0.357 nan 8.250 nan 0.000 0.428 176 I N 4.259 124.819 120.570 -0.018 0.000 2.556 176 I HA 0.053 4.223 4.170 0.000 0.000 0.284 176 I C 1.627 177.761 176.117 0.028 0.000 1.114 176 I CA 0.282 61.568 61.300 -0.022 0.000 1.418 176 I CB 0.110 38.083 38.000 -0.045 0.000 1.394 176 I HN 0.678 nan 8.210 nan 0.000 0.552 177 I N 2.652 123.239 120.570 0.029 0.000 4.227 177 I HA 0.395 4.566 4.170 0.000 0.000 0.334 177 I C -0.287 175.953 176.117 0.206 0.000 1.341 177 I CA 0.064 61.417 61.300 0.088 0.000 1.123 177 I CB 0.791 38.774 38.000 -0.029 0.000 1.097 177 I HN 0.298 nan 8.210 nan 0.000 0.399 178 F N 1.706 121.609 119.950 -0.080 0.000 2.651 178 F HA 0.409 4.936 4.527 0.000 0.000 0.327 178 F C -0.111 175.640 175.800 -0.081 0.000 1.133 178 F CA -0.903 57.044 58.000 -0.089 0.000 1.076 178 F CB 1.444 40.323 39.000 -0.202 0.000 1.315 178 F HN -0.262 nan 8.300 nan 0.000 0.499 179 K N 3.249 123.291 120.400 -0.596 0.000 2.379 179 K HA 0.465 4.785 4.320 0.000 0.000 0.194 179 K C 0.835 177.041 176.600 -0.656 0.000 1.031 179 K CA 0.728 56.712 56.287 -0.505 0.000 1.037 179 K CB -0.064 32.204 32.500 -0.388 0.000 0.824 179 K HN 1.021 nan 8.250 nan 0.000 0.516 180 G N 1.206 109.144 108.800 -1.436 0.000 2.710 180 G HA2 -0.262 3.698 3.960 0.000 0.000 0.668 180 G HA3 -0.262 3.698 3.960 0.000 0.000 0.668 180 G C 0.061 174.629 174.900 -0.554 0.000 1.320 180 G CA -0.242 44.284 45.100 -0.955 0.000 0.860 180 G HN 0.242 nan 8.290 nan 0.000 0.538 181 T N -3.069 111.351 114.554 -0.224 0.000 2.867 181 T HA 0.545 4.895 4.350 0.000 0.000 0.286 181 T C 1.504 176.102 174.700 -0.170 0.000 1.022 181 T CA 1.005 63.017 62.100 -0.147 0.000 0.933 181 T CB 1.136 69.969 68.868 -0.058 0.000 1.280 181 T HN 1.201 nan 8.240 nan 0.000 0.566 182 D N -0.167 120.141 120.400 -0.152 0.000 2.312 182 D HA -0.054 4.586 4.640 0.000 0.000 0.211 182 D C 1.999 178.184 176.300 -0.191 0.000 0.964 182 D CA 0.574 54.471 54.000 -0.172 0.000 0.877 182 D CB -0.729 39.982 40.800 -0.148 0.000 0.924 182 D HN 0.495 nan 8.370 nan 0.000 0.515 183 L N -0.560 120.559 121.223 -0.173 0.000 2.127 183 L HA -0.162 4.179 4.340 0.000 0.000 0.211 183 L C 1.161 177.919 176.870 -0.185 0.000 1.089 183 L CA 0.812 55.544 54.840 -0.179 0.000 0.757 183 L CB -0.293 41.680 42.059 -0.143 0.000 0.899 183 L HN 0.030 nan 8.230 nan 0.000 0.434 184 R N -1.327 119.060 120.500 -0.188 0.000 3.819 184 R HA -0.259 4.081 4.340 0.000 0.000 0.488 184 R C 0.795 177.030 176.300 -0.108 0.000 0.241 184 R CA 1.194 57.173 56.100 -0.202 0.000 1.530 184 R CB -1.378 28.614 30.300 -0.514 0.000 1.019 184 R HN 0.325 nan 8.270 nan 0.000 0.557 185 I N -0.959 119.600 120.570 -0.018 0.000 6.679 185 I HA -0.257 3.914 4.170 0.000 0.000 0.126 185 I C 0.020 176.016 176.117 -0.201 0.000 1.811 185 I CA 1.221 62.168 61.300 -0.588 0.000 2.117 185 I CB -2.009 35.653 38.000 -0.564 0.000 3.492 185 I HN 0.468 nan 8.210 nan 0.000 0.193 186 T N 3.049 117.687 114.554 0.141 0.000 2.752 186 T HA 0.426 4.776 4.350 0.000 0.000 0.295 186 T C 0.464 175.381 174.700 0.362 0.000 0.923 186 T CA -0.037 62.193 62.100 0.216 0.000 1.112 186 T CB 0.873 69.834 68.868 0.155 0.000 0.884 186 T HN 0.714 nan 8.240 nan 0.000 0.525 187 E N 1.425 121.793 120.200 0.281 0.000 2.368 187 E HA 0.575 4.925 4.350 0.000 0.000 0.257 187 E C 0.235 176.890 176.600 0.091 0.000 1.022 187 E CA -1.370 55.198 56.400 0.281 0.000 0.886 187 E CB 0.351 30.391 29.700 0.568 0.000 1.740 187 E HN 0.543 nan 8.360 nan 0.000 0.456 188 G N 1.696 110.526 108.800 0.050 0.000 2.395 188 G HA2 -0.183 3.778 3.960 0.000 0.000 0.300 188 G HA3 -0.183 3.778 3.960 0.000 0.000 0.300 188 G C -2.279 172.342 174.900 -0.464 0.000 0.998 188 G CA 0.283 45.184 45.100 -0.332 0.000 1.046 188 G HN 0.401 nan 8.290 nan 0.000 0.513 189 P HA 0.304 nan 4.420 nan 0.000 0.280 189 P C -0.443 176.544 177.300 -0.522 0.000 1.244 189 P CA 0.200 63.100 63.100 -0.334 0.000 0.784 189 P CB 1.052 32.631 31.700 -0.202 0.000 0.913 190 H N 2.127 121.098 119.070 -0.166 0.000 2.759 190 H HA 0.393 4.949 4.556 0.000 0.000 0.354 190 H C -0.247 174.822 175.328 -0.431 0.000 1.074 190 H CA -0.607 55.269 56.048 -0.287 0.000 1.226 190 H CB 1.474 31.152 29.762 -0.141 0.000 1.648 190 H HN 0.313 nan 8.280 nan 0.000 0.529 191 L N 3.540 124.508 121.223 -0.423 0.000 2.309 191 L HA 0.390 4.731 4.340 0.000 0.000 0.282 191 L C -0.937 175.599 176.870 -0.557 0.000 1.036 191 L CA -0.679 53.841 54.840 -0.533 0.000 0.806 191 L CB 0.735 42.263 42.059 -0.885 0.000 1.220 191 L HN 0.494 nan 8.230 nan 0.000 0.429 192 Y N 1.506 121.903 120.300 0.161 0.000 2.396 192 Y HA 0.308 4.858 4.550 0.000 0.000 0.332 192 Y C -0.348 175.803 175.900 0.420 0.000 1.034 192 Y CA -1.154 57.195 58.100 0.416 0.000 1.057 192 Y CB 1.637 40.345 38.460 0.412 0.000 1.220 192 Y HN 0.321 nan 8.280 nan 0.000 0.440 193 K N 4.335 125.112 120.400 0.629 0.000 2.250 193 K HA 0.583 4.903 4.320 0.000 0.000 0.280 193 K C -1.507 175.287 176.600 0.324 0.000 1.098 193 K CA 0.205 56.691 56.287 0.331 0.000 0.916 193 K CB -0.195 32.453 32.500 0.247 0.000 1.209 193 K HN 0.676 nan 8.250 nan 0.000 0.461 194 I N 4.346 125.129 120.570 0.354 0.000 2.498 194 I HA 0.278 4.448 4.170 0.000 0.000 0.290 194 I C 0.687 176.906 176.117 0.170 0.000 1.032 194 I CA -1.030 60.407 61.300 0.229 0.000 1.073 194 I CB 1.809 39.826 38.000 0.029 0.000 1.251 194 I HN 0.808 nan 8.210 nan 0.000 0.426 195 N N 3.686 122.395 118.700 0.016 0.000 1.414 195 N HA -0.262 4.478 4.740 0.000 0.000 0.142 195 N C 1.169 176.638 175.510 -0.068 0.000 0.587 195 N CA 2.551 55.581 53.050 -0.034 0.000 1.068 195 N CB -0.997 37.456 38.487 -0.056 0.000 1.317 195 N HN 0.959 nan 8.380 nan 0.000 0.463 196 G N -2.399 106.307 108.800 -0.156 0.000 3.233 196 G HA2 0.279 4.239 3.960 0.000 0.000 0.234 196 G HA3 0.279 4.239 3.960 0.000 0.000 0.234 196 G C -0.779 173.842 174.900 -0.466 0.000 1.137 196 G CA 0.103 45.004 45.100 -0.331 0.000 0.763 196 G HN 0.383 nan 8.290 nan 0.000 0.549 197 Y N -0.610 119.571 120.300 -0.198 0.000 2.429 197 Y HA 0.520 5.070 4.550 0.000 0.000 0.342 197 Y C -0.624 175.083 175.900 -0.322 0.000 1.004 197 Y CA -1.592 56.296 58.100 -0.353 0.000 1.075 197 Y CB 1.339 39.375 38.460 -0.707 0.000 1.214 197 Y HN 0.029 nan 8.280 nan 0.000 0.455 198 Y N 2.375 122.664 120.300 -0.019 0.000 2.436 198 Y HA 0.194 4.744 4.550 0.000 0.000 0.343 198 Y C -0.787 175.104 175.900 -0.015 0.000 1.008 198 Y CA -0.386 57.725 58.100 0.018 0.000 1.241 198 Y CB -0.114 38.315 38.460 -0.051 0.000 1.153 198 Y HN 0.427 nan 8.280 nan 0.000 0.521 199 Y N 3.877 124.355 120.300 0.297 0.000 2.326 199 Y HA 0.353 4.903 4.550 0.000 0.000 0.337 199 Y C -0.378 175.651 175.900 0.216 0.000 1.023 199 Y CA -0.886 57.375 58.100 0.268 0.000 1.143 199 Y CB 0.997 39.626 38.460 0.281 0.000 1.183 199 Y HN 0.433 nan 8.280 nan 0.000 0.485 200 L N 5.842 127.170 121.223 0.174 0.000 2.277 200 L HA 0.474 4.814 4.340 0.000 0.000 0.284 200 L C -1.354 175.479 176.870 -0.063 0.000 1.028 200 L CA -0.693 54.053 54.840 -0.157 0.000 0.835 200 L CB 0.539 42.129 42.059 -0.783 0.000 1.215 200 L HN 0.587 nan 8.230 nan 0.000 0.425 201 L N 5.674 126.956 121.223 0.098 0.000 2.276 201 L HA 0.717 5.057 4.340 0.000 0.000 0.286 201 L C 0.135 177.006 176.870 0.001 0.000 1.061 201 L CA 0.432 55.354 54.840 0.137 0.000 0.807 201 L CB 1.228 43.515 42.059 0.380 0.000 1.177 201 L HN 0.846 nan 8.230 nan 0.000 0.429 202 T N 2.114 116.653 114.554 -0.025 0.000 2.907 202 T HA 0.932 5.282 4.350 0.000 0.000 0.290 202 T C -0.522 174.164 174.700 -0.022 0.000 1.066 202 T CA -0.528 61.552 62.100 -0.035 0.000 1.012 202 T CB 1.541 70.439 68.868 0.051 0.000 1.184 202 T HN 0.832 nan 8.240 nan 0.000 0.522 203 A N 0.654 123.463 122.820 -0.018 0.000 2.337 203 A HA 0.810 5.130 4.320 0.000 0.000 0.329 203 A C -0.376 177.270 177.584 0.104 0.000 1.146 203 A CA -0.729 51.322 52.037 0.023 0.000 0.800 203 A CB 0.852 19.900 19.000 0.080 0.000 1.220 203 A HN 0.881 nan 8.150 nan 0.000 0.472 204 E N -0.161 120.090 120.200 0.085 0.000 2.446 204 E HA 0.580 4.930 4.350 0.000 0.000 0.276 204 E C 0.411 177.059 176.600 0.080 0.000 0.969 204 E CA -0.475 55.962 56.400 0.061 0.000 0.800 204 E CB 1.913 31.622 29.700 0.014 0.000 1.341 204 E HN 1.520 nan 8.360 nan 0.000 0.460 205 G N 0.325 109.124 108.800 -0.000 0.000 2.199 205 G HA2 -0.130 3.830 3.960 0.000 0.000 0.254 205 G HA3 -0.130 3.830 3.960 0.000 0.000 0.254 205 G C 0.586 175.500 174.900 0.023 0.000 0.982 205 G CA 0.158 45.252 45.100 -0.010 0.000 0.632 205 G HN 1.350 nan 8.290 nan 0.000 0.529 206 G N -1.890 106.937 108.800 0.044 0.000 2.755 206 G HA2 0.202 4.162 3.960 0.000 0.000 0.686 206 G HA3 0.202 4.162 3.960 0.000 0.000 0.686 206 G C 0.447 175.274 174.900 -0.123 0.000 1.427 206 G CA 0.771 45.867 45.100 -0.007 0.000 0.873 206 G HN 1.617 nan 8.290 nan 0.000 0.580 207 T N 0.811 115.190 114.554 -0.290 0.000 3.284 207 T HA 0.165 4.515 4.350 0.000 0.000 0.252 207 T C 1.680 176.159 174.700 -0.369 0.000 1.144 207 T CA 1.673 63.357 62.100 -0.695 0.000 1.021 207 T CB -0.368 68.232 68.868 -0.447 0.000 0.984 207 T HN 0.573 nan 8.240 nan 0.000 0.545 208 R N -0.781 119.601 120.500 -0.196 0.000 2.271 208 R HA 0.303 4.643 4.340 0.000 0.000 0.175 208 R C 0.918 177.096 176.300 -0.203 0.000 1.055 208 R CA -0.354 55.614 56.100 -0.221 0.000 1.336 208 R CB -0.166 30.089 30.300 -0.075 0.000 1.733 208 R HN 0.209 nan 8.270 nan 0.000 0.565 209 Y N 0.519 120.871 120.300 0.086 0.000 2.583 209 Y HA 0.061 4.611 4.550 0.000 0.000 0.293 209 Y C 1.082 177.141 175.900 0.266 0.000 1.157 209 Y CA 0.761 58.953 58.100 0.155 0.000 1.315 209 Y CB -0.280 38.238 38.460 0.097 0.000 1.021 209 Y HN 0.437 nan 8.280 nan 0.000 0.536 210 N N -1.351 117.518 118.700 0.283 0.000 2.270 210 N HA -0.040 4.701 4.740 0.000 0.000 0.198 210 N C -0.001 175.607 175.510 0.164 0.000 1.117 210 N CA -0.116 53.032 53.050 0.164 0.000 0.845 210 N CB -0.011 38.464 38.487 -0.020 0.000 0.980 210 N HN 0.373 nan 8.380 nan 0.000 0.486 211 H N 1.037 120.164 119.070 0.094 0.000 3.001 211 H HA 0.254 4.810 4.556 0.000 0.000 0.334 211 H C -0.375 175.003 175.328 0.084 0.000 1.034 211 H CA -0.297 55.799 56.048 0.079 0.000 1.420 211 H CB 0.583 30.400 29.762 0.093 0.000 1.405 211 H HN 0.177 nan 8.280 nan 0.000 0.593 212 A N 3.078 125.880 122.820 -0.030 0.000 2.566 212 A HA 0.671 4.991 4.320 0.000 0.000 0.292 212 A C -1.390 176.078 177.584 -0.194 0.000 1.112 212 A CA -0.202 51.773 52.037 -0.104 0.000 0.707 212 A CB 1.480 20.454 19.000 -0.043 0.000 1.302 212 A HN 0.771 nan 8.150 nan 0.000 0.409 213 A N 0.857 123.586 122.820 -0.152 0.000 2.258 213 A HA 0.683 5.004 4.320 0.000 0.000 0.316 213 A C -0.057 177.472 177.584 -0.092 0.000 1.279 213 A CA -0.258 51.712 52.037 -0.113 0.000 0.876 213 A CB 0.095 19.035 19.000 -0.099 0.000 1.170 213 A HN 0.768 nan 8.150 nan 0.000 0.520 214 T N 2.802 117.328 114.554 -0.046 0.000 2.867 214 T HA 0.573 4.924 4.350 0.000 0.000 0.282 214 T C -0.365 174.332 174.700 -0.004 0.000 1.000 214 T CA 0.014 62.098 62.100 -0.026 0.000 1.042 214 T CB 0.880 69.779 68.868 0.051 0.000 0.973 214 T HN 0.576 nan 8.240 nan 0.000 0.465 215 I N 2.093 122.671 120.570 0.013 0.000 2.545 215 I HA 0.739 4.910 4.170 0.000 0.000 0.292 215 I C -0.781 175.466 176.117 0.217 0.000 1.040 215 I CA -0.611 60.766 61.300 0.127 0.000 1.068 215 I CB 1.228 39.361 38.000 0.221 0.000 1.251 215 I HN 0.775 nan 8.210 nan 0.000 0.424 216 A N 7.106 130.033 122.820 0.178 0.000 2.485 216 A HA 0.963 5.283 4.320 0.000 0.000 0.292 216 A C -1.193 176.565 177.584 0.291 0.000 1.147 216 A CA -0.740 51.449 52.037 0.253 0.000 0.750 216 A CB 1.840 20.753 19.000 -0.145 0.000 1.331 216 A HN 0.800 nan 8.150 nan 0.000 0.419 217 R N -0.568 120.054 120.500 0.203 0.000 2.739 217 R HA 0.846 5.187 4.340 0.000 0.000 0.271 217 R C -1.233 174.896 176.300 -0.284 0.000 1.010 217 R CA -0.219 55.729 56.100 -0.254 0.000 0.897 217 R CB 1.574 31.158 30.300 -1.194 0.000 1.236 217 R HN 1.053 nan 8.270 nan 0.000 0.466 218 S N -0.718 114.769 115.700 -0.354 0.000 2.567 218 S HA 0.239 4.709 4.470 0.000 0.000 0.270 218 S C 0.138 174.732 174.600 -0.009 0.000 1.152 218 S CA -0.078 57.932 58.200 -0.318 0.000 0.835 218 S CB 1.716 64.346 63.200 -0.950 0.000 1.115 218 S HN 0.770 nan 8.310 nan 0.000 0.459 219 T N -0.361 114.194 114.554 0.001 0.000 3.081 219 T HA 0.257 4.607 4.350 0.000 0.000 0.255 219 T C 0.790 175.552 174.700 0.104 0.000 1.113 219 T CA 0.447 62.533 62.100 -0.023 0.000 1.082 219 T CB -0.000 68.792 68.868 -0.126 0.000 0.939 219 T HN 0.430 nan 8.240 nan 0.000 0.506 220 S N 0.484 116.183 115.700 -0.001 0.000 2.451 220 S HA 0.495 4.965 4.470 0.000 0.000 0.301 220 S C 0.758 175.209 174.600 -0.249 0.000 1.116 220 S CA -0.951 57.224 58.200 -0.041 0.000 1.093 220 S CB 1.268 64.436 63.200 -0.054 0.000 1.017 220 S HN 0.284 nan 8.310 nan 0.000 0.482 221 L N 5.720 126.653 121.223 -0.484 0.000 2.079 221 L HA 0.023 4.363 4.340 0.000 0.000 0.210 221 L C 1.060 177.729 176.870 -0.336 0.000 1.081 221 L CA 2.041 56.380 54.840 -0.834 0.000 0.752 221 L CB -0.562 40.877 42.059 -1.034 0.000 0.896 221 L HN 0.873 nan 8.230 nan 0.000 0.433 222 Y N 0.295 120.460 120.300 -0.224 0.000 2.502 222 Y HA 0.369 4.919 4.550 0.000 0.000 0.295 222 Y C 1.650 177.565 175.900 0.025 0.000 1.193 222 Y CA 0.205 58.269 58.100 -0.060 0.000 1.295 222 Y CB -0.726 37.694 38.460 -0.066 0.000 1.059 222 Y HN 0.353 nan 8.280 nan 0.000 0.514 223 G N 0.766 109.557 108.800 -0.015 0.000 2.598 223 G HA2 -0.255 3.705 3.960 0.000 0.000 0.244 223 G HA3 -0.255 3.705 3.960 0.000 0.000 0.244 223 G C -2.322 172.557 174.900 -0.036 0.000 1.302 223 G CA -0.740 44.274 45.100 -0.143 0.000 0.903 223 G HN 0.137 nan 8.290 nan 0.000 0.575 224 P HA 0.395 nan 4.420 nan 0.000 0.269 224 P C -0.947 176.370 177.300 0.028 0.000 1.215 224 P CA 0.154 63.314 63.100 0.099 0.000 0.780 224 P CB 0.282 32.037 31.700 0.092 0.000 0.898 225 Y N 0.233 120.597 120.300 0.107 0.000 2.334 225 Y HA 0.223 4.773 4.550 0.000 0.000 0.328 225 Y C 1.292 177.271 175.900 0.132 0.000 1.130 225 Y CA -0.270 57.871 58.100 0.068 0.000 1.163 225 Y CB 1.134 39.562 38.460 -0.054 0.000 1.207 225 Y HN 0.402 nan 8.280 nan 0.000 0.471 226 E N 1.464 121.802 120.200 0.230 0.000 2.179 226 E HA 0.586 4.936 4.350 0.000 0.000 0.275 226 E C -1.445 175.344 176.600 0.314 0.000 0.945 226 E CA -0.917 55.626 56.400 0.238 0.000 0.792 226 E CB 1.624 31.435 29.700 0.185 0.000 1.125 226 E HN 0.301 nan 8.360 nan 0.000 0.397 227 V N 3.182 123.212 119.914 0.194 0.000 2.649 227 V HA -0.007 4.113 4.120 0.000 0.000 0.292 227 V C 0.802 176.712 176.094 -0.306 0.000 1.055 227 V CA -0.609 61.734 62.300 0.072 0.000 1.023 227 V CB 0.714 32.584 31.823 0.079 0.000 0.992 227 V HN 0.755 nan 8.190 nan 0.000 0.480 228 H N 7.863 126.450 119.070 -0.804 0.000 3.173 228 H HA -0.035 4.521 4.556 0.000 0.000 0.311 228 H C -1.479 173.353 175.328 -0.827 0.000 0.972 228 H CA -0.771 54.399 56.048 -1.464 0.000 1.384 228 H CB 1.310 30.559 29.762 -0.855 0.000 1.349 228 H HN 0.426 nan 8.280 nan 0.000 0.582 229 P HA -0.055 nan 4.420 nan 0.000 0.225 229 P C 0.037 177.296 177.300 -0.068 0.000 1.156 229 P CA 0.983 63.913 63.100 -0.284 0.000 0.787 229 P CB 0.597 32.129 31.700 -0.280 0.000 0.802 230 D N -0.333 120.139 120.400 0.120 0.000 2.772 230 D HA 0.095 4.735 4.640 0.000 0.000 0.272 230 D C 0.144 176.324 176.300 -0.200 0.000 1.314 230 D CA -0.376 53.649 54.000 0.040 0.000 0.835 230 D CB -0.420 40.492 40.800 0.185 0.000 1.080 230 D HN 0.086 nan 8.370 nan 0.000 0.482 231 N N 2.698 121.265 118.700 -0.221 0.000 2.416 231 N HA 0.057 4.798 4.740 0.000 0.000 0.246 231 N C -2.107 173.293 175.510 -0.183 0.000 1.260 231 N CA -0.607 52.260 53.050 -0.305 0.000 0.897 231 N CB 0.661 39.037 38.487 -0.185 0.000 1.110 231 N HN -0.029 nan 8.380 nan 0.000 0.439 232 P HA 0.009 nan 4.420 nan 0.000 0.274 232 P C 0.704 177.803 177.300 -0.334 0.000 1.237 232 P CA -0.403 62.570 63.100 -0.211 0.000 0.793 232 P CB 0.746 32.377 31.700 -0.115 0.000 0.977 233 L N 1.556 122.545 121.223 -0.391 0.000 2.083 233 L HA 0.060 4.400 4.340 0.000 0.000 0.209 233 L C 0.626 177.339 176.870 -0.262 0.000 1.083 233 L CA 1.826 56.408 54.840 -0.430 0.000 0.752 233 L CB -0.567 41.295 42.059 -0.329 0.000 0.899 233 L HN 0.399 nan 8.230 nan 0.000 0.433 234 L N -1.395 119.715 121.223 -0.189 0.000 2.526 234 L HA 0.595 4.935 4.340 0.000 0.000 0.263 234 L C -0.855 175.961 176.870 -0.091 0.000 0.943 234 L CA 0.246 54.993 54.840 -0.156 0.000 0.859 234 L CB 1.913 43.838 42.059 -0.224 0.000 1.313 234 L HN -0.010 nan 8.230 nan 0.000 0.406 235 T N 1.258 115.812 114.554 -0.001 0.000 2.830 235 T HA 0.454 4.805 4.350 0.000 0.000 0.322 235 T C -0.185 174.652 174.700 0.228 0.000 1.501 235 T CA 0.104 62.272 62.100 0.112 0.000 1.036 235 T CB 1.714 70.681 68.868 0.165 0.000 1.379 235 T HN 0.525 nan 8.240 nan 0.000 0.493 236 S N 0.721 116.595 115.700 0.291 0.000 2.526 236 S HA 0.130 4.600 4.470 0.000 0.000 0.220 236 S C 1.103 175.933 174.600 0.384 0.000 1.017 236 S CA -0.331 58.083 58.200 0.356 0.000 0.930 236 S CB -0.118 63.250 63.200 0.281 0.000 0.856 236 S HN 0.734 nan 8.310 nan 0.000 0.497 237 W N 4.290 125.692 121.300 0.170 0.000 2.318 237 W HA -0.117 4.543 4.660 0.000 0.000 0.313 237 W C -1.736 174.762 176.519 -0.036 0.000 1.221 237 W CA 1.772 59.166 57.345 0.082 0.000 1.266 237 W CB -1.222 28.268 29.460 0.050 0.000 1.150 237 W HN 0.213 nan 8.180 nan 0.000 0.496 238 P HA -0.071 nan 4.420 nan 0.000 0.242 238 P C -0.919 175.843 177.300 -0.897 0.000 1.197 238 P CA 1.289 63.883 63.100 -0.843 0.000 0.765 238 P CB -0.309 30.879 31.700 -0.854 0.000 0.936 239 Y N -0.392 119.821 120.300 -0.144 0.000 2.747 239 Y HA 0.299 4.849 4.550 0.000 0.000 0.362 239 Y C -1.494 174.360 175.900 -0.077 0.000 1.026 239 Y CA -2.538 55.510 58.100 -0.087 0.000 1.135 239 Y CB 0.616 39.063 38.460 -0.022 0.000 1.175 239 Y HN -0.008 nan 8.280 nan 0.000 0.643 240 P HA -0.093 nan 4.420 nan 0.000 0.226 240 P C 0.695 177.990 177.300 -0.008 0.000 1.153 240 P CA 1.143 64.203 63.100 -0.067 0.000 0.777 240 P CB 0.414 32.024 31.700 -0.149 0.000 0.794 241 R N -1.436 119.080 120.500 0.026 0.000 2.312 241 R HA 0.122 4.462 4.340 0.000 0.000 0.205 241 R C 0.941 177.276 176.300 0.058 0.000 0.904 241 R CA -0.351 55.767 56.100 0.031 0.000 1.052 241 R CB -0.272 30.041 30.300 0.022 0.000 1.014 241 R HN 0.084 nan 8.270 nan 0.000 0.503 242 N N 2.742 121.496 118.700 0.090 0.000 2.447 242 N HA -0.011 4.729 4.740 0.000 0.000 0.263 242 N C -1.599 173.972 175.510 0.102 0.000 1.226 242 N CA -1.240 51.864 53.050 0.090 0.000 0.906 242 N CB 1.214 39.765 38.487 0.106 0.000 1.060 242 N HN -0.033 nan 8.380 nan 0.000 0.468 243 P HA -0.031 nan 4.420 nan 0.000 0.234 243 P C -0.206 177.184 177.300 0.150 0.000 1.167 243 P CA 0.907 64.074 63.100 0.111 0.000 0.763 243 P CB 0.342 32.101 31.700 0.098 0.000 0.835 244 L N 0.301 121.615 121.223 0.151 0.000 2.318 244 L HA 0.333 4.674 4.340 0.000 0.000 0.277 244 L C 0.490 177.481 176.870 0.202 0.000 1.008 244 L CA -0.637 54.310 54.840 0.178 0.000 0.846 244 L CB 1.363 43.525 42.059 0.172 0.000 1.220 244 L HN -0.153 nan 8.230 nan 0.000 0.423 245 Q N 2.175 122.114 119.800 0.231 0.000 2.194 245 Q HA 0.388 4.728 4.340 0.000 0.000 0.245 245 Q C 0.160 176.292 176.000 0.220 0.000 0.993 245 Q CA -0.646 55.317 55.803 0.268 0.000 0.930 245 Q CB 1.379 30.359 28.738 0.404 0.000 1.238 245 Q HN 0.380 nan 8.270 nan 0.000 0.486 246 K N -1.512 119.015 120.400 0.212 0.000 3.209 246 K HA -0.198 4.122 4.320 0.000 0.000 0.289 246 K C -0.366 176.450 176.600 0.360 0.000 1.191 246 K CA 0.633 57.043 56.287 0.205 0.000 0.851 246 K CB -2.062 30.449 32.500 0.017 0.000 1.242 246 K HN 0.666 nan 8.250 nan 0.000 0.480 247 A N 1.172 124.159 122.820 0.277 0.000 2.505 247 A HA 0.496 4.816 4.320 0.000 0.000 0.271 247 A C 0.948 178.544 177.584 0.020 0.000 1.112 247 A CA 1.035 53.211 52.037 0.232 0.000 0.781 247 A CB 0.248 19.274 19.000 0.044 0.000 1.059 247 A HN 0.620 nan 8.150 nan 0.000 0.508 248 G N 0.717 109.506 108.800 -0.020 0.000 2.427 248 G HA2 0.429 4.389 3.960 0.000 0.000 0.306 248 G HA3 0.429 4.389 3.960 0.000 0.000 0.306 248 G C -0.303 174.555 174.900 -0.071 0.000 1.280 248 G CA 0.003 44.801 45.100 -0.502 0.000 0.837 248 G HN 1.282 nan 8.290 nan 0.000 0.482 249 H N -0.653 118.314 119.070 -0.172 0.000 2.591 249 H HA -0.069 4.487 4.556 0.000 0.000 0.325 249 H C 0.452 175.916 175.328 0.225 0.000 1.096 249 H CA 1.114 57.264 56.048 0.170 0.000 1.108 249 H CB -1.248 28.717 29.762 0.338 0.000 1.590 249 H HN 1.417 nan 8.280 nan 0.000 0.399 250 A N 2.062 125.016 122.820 0.224 0.000 2.264 250 A HA 0.703 5.023 4.320 0.000 0.000 0.304 250 A C 0.277 178.081 177.584 0.366 0.000 1.100 250 A CA 0.165 52.373 52.037 0.285 0.000 0.839 250 A CB 1.200 20.309 19.000 0.182 0.000 1.121 250 A HN 0.815 nan 8.150 nan 0.000 0.496 251 S N -0.153 115.738 115.700 0.319 0.000 2.549 251 S HA 0.724 5.194 4.470 0.000 0.000 0.280 251 S C -0.867 173.881 174.600 0.247 0.000 1.109 251 S CA -0.553 57.825 58.200 0.297 0.000 0.905 251 S CB 0.895 64.197 63.200 0.171 0.000 1.081 251 S HN 0.552 nan 8.310 nan 0.000 0.477 252 I N 2.246 122.932 120.570 0.194 0.000 2.359 252 I HA 0.537 4.708 4.170 0.000 0.000 0.294 252 I C -0.484 175.739 176.117 0.176 0.000 0.987 252 I CA -1.004 60.339 61.300 0.071 0.000 1.225 252 I CB 1.817 39.657 38.000 -0.266 0.000 1.366 252 I HN 0.550 nan 8.210 nan 0.000 0.466 253 V N 6.719 126.789 119.914 0.260 0.000 2.513 253 V HA 0.354 4.474 4.120 0.000 0.000 0.299 253 V C -0.756 175.450 176.094 0.186 0.000 1.035 253 V CA -0.341 62.121 62.300 0.270 0.000 0.889 253 V CB 1.703 33.696 31.823 0.284 0.000 0.988 253 V HN 0.744 nan 8.190 nan 0.000 0.440 254 H N 4.842 123.832 119.070 -0.134 0.000 2.595 254 H HA 0.444 5.000 4.556 0.000 0.000 0.313 254 H C 0.346 175.570 175.328 -0.174 0.000 1.023 254 H CA -0.259 55.430 56.048 -0.599 0.000 1.218 254 H CB 1.181 30.361 29.762 -0.971 0.000 1.403 254 H HN 0.913 nan 8.280 nan 0.000 0.477 255 T N 0.979 115.510 114.554 -0.038 0.000 2.667 255 T HA -0.103 4.247 4.350 0.000 0.000 0.305 255 T C 1.518 176.192 174.700 -0.044 0.000 1.022 255 T CA -0.409 61.761 62.100 0.116 0.000 0.995 255 T CB 0.574 69.500 68.868 0.098 0.000 1.026 255 T HN 0.825 nan 8.240 nan 0.000 0.527 256 H N -1.038 118.053 119.070 0.035 0.000 2.539 256 H HA 0.109 4.665 4.556 0.000 0.000 0.267 256 H C 1.187 176.495 175.328 -0.035 0.000 0.982 256 H CA 0.871 56.888 56.048 -0.053 0.000 1.146 256 H CB -0.905 28.844 29.762 -0.022 0.000 1.382 256 H HN 0.756 nan 8.280 nan 0.000 0.577 257 T N -2.576 111.748 114.554 -0.385 0.000 3.134 257 T HA 0.078 4.428 4.350 0.000 0.000 0.260 257 T C 0.150 174.799 174.700 -0.084 0.000 1.027 257 T CA 0.156 62.092 62.100 -0.275 0.000 0.913 257 T CB -0.243 68.460 68.868 -0.274 0.000 1.046 257 T HN 0.207 nan 8.240 nan 0.000 0.553 258 D N 1.162 121.516 120.400 -0.076 0.000 2.699 258 D HA -0.141 4.499 4.640 0.000 0.000 0.239 258 D C -0.427 175.962 176.300 0.149 0.000 1.136 258 D CA 0.792 54.843 54.000 0.083 0.000 0.668 258 D CB -1.234 39.645 40.800 0.131 0.000 1.060 258 D HN 0.778 nan 8.370 nan 0.000 0.429 259 E N -0.871 119.383 120.200 0.091 0.000 2.263 259 E HA 0.664 5.014 4.350 0.000 0.000 0.264 259 E C -0.506 176.131 176.600 0.062 0.000 0.923 259 E CA -0.880 55.615 56.400 0.158 0.000 0.802 259 E CB 1.069 30.905 29.700 0.227 0.000 1.228 259 E HN 0.121 nan 8.360 nan 0.000 0.417 260 W N 1.295 122.605 121.300 0.016 0.000 2.656 260 W HA 0.499 5.160 4.660 0.000 0.000 0.327 260 W C -1.013 175.322 176.519 -0.306 0.000 1.041 260 W CA -0.344 57.030 57.345 0.048 0.000 1.229 260 W CB 0.895 30.437 29.460 0.137 0.000 1.397 260 W HN 0.365 nan 8.180 nan 0.000 0.479 261 F N 2.522 122.628 119.950 0.260 0.000 2.603 261 F HA 0.657 5.184 4.527 0.000 0.000 0.317 261 F C -0.766 175.126 175.800 0.155 0.000 1.066 261 F CA -1.374 56.724 58.000 0.163 0.000 0.941 261 F CB 1.637 40.696 39.000 0.098 0.000 1.291 261 F HN -0.050 nan 8.300 nan 0.000 0.472 262 L N 3.342 124.755 121.223 0.317 0.000 2.377 262 L HA 0.645 4.985 4.340 0.000 0.000 0.270 262 L C -0.869 176.170 176.870 0.281 0.000 0.991 262 L CA -0.705 54.274 54.840 0.231 0.000 0.851 262 L CB 1.325 43.456 42.059 0.119 0.000 1.218 262 L HN 0.444 nan 8.230 nan 0.000 0.420 263 V N 2.317 122.381 119.914 0.250 0.000 2.686 263 V HA 0.817 4.937 4.120 0.000 0.000 0.295 263 V C -0.510 175.745 176.094 0.269 0.000 1.057 263 V CA 0.162 62.583 62.300 0.202 0.000 1.012 263 V CB 1.145 33.019 31.823 0.086 0.000 1.006 263 V HN 1.037 nan 8.190 nan 0.000 0.477 264 H N 2.794 121.920 119.070 0.094 0.000 3.014 264 H HA 0.738 5.294 4.556 0.000 0.000 0.337 264 H C -0.906 174.486 175.328 0.107 0.000 1.320 264 H CA -1.037 55.084 56.048 0.123 0.000 1.128 264 H CB 1.247 31.065 29.762 0.093 0.000 1.862 264 H HN 0.955 nan 8.280 nan 0.000 0.536 265 L N -0.600 120.709 121.223 0.144 0.000 2.421 265 L HA 0.819 5.159 4.340 0.000 0.000 0.263 265 L C 0.050 177.003 176.870 0.139 0.000 1.122 265 L CA -0.179 54.705 54.840 0.073 0.000 0.804 265 L CB 1.494 43.646 42.059 0.155 0.000 1.150 265 L HN 0.894 nan 8.230 nan 0.000 0.457 266 T N 0.588 115.185 114.554 0.071 0.000 2.932 266 T HA 0.713 5.064 4.350 0.000 0.000 0.318 266 T C -0.466 174.304 174.700 0.116 0.000 1.265 266 T CA -0.106 62.080 62.100 0.143 0.000 1.036 266 T CB 1.124 70.081 68.868 0.147 0.000 1.209 266 T HN 1.168 nan 8.240 nan 0.000 0.484 267 G N 2.040 110.917 108.800 0.128 0.000 2.367 267 G HA2 0.593 4.553 3.960 0.000 0.000 0.314 267 G HA3 0.593 4.553 3.960 0.000 0.000 0.314 267 G C -0.771 174.250 174.900 0.201 0.000 1.130 267 G CA -0.631 44.549 45.100 0.133 0.000 0.864 267 G HN 0.701 nan 8.290 nan 0.000 0.486 268 R N 2.767 123.423 120.500 0.259 0.000 2.332 268 R HA 0.356 4.696 4.340 0.000 0.000 0.306 268 R C -2.424 174.128 176.300 0.420 0.000 1.117 268 R CA -1.472 54.838 56.100 0.349 0.000 1.108 268 R CB 1.100 31.666 30.300 0.444 0.000 1.126 268 R HN 0.306 nan 8.270 nan 0.000 0.548 269 P HA -0.035 nan 4.420 nan 0.000 0.269 269 P C -0.344 177.060 177.300 0.174 0.000 1.209 269 P CA -0.080 63.195 63.100 0.291 0.000 0.776 269 P CB 0.646 32.495 31.700 0.248 0.000 0.876 270 L N 3.989 125.325 121.223 0.188 0.000 2.479 270 L HA 0.133 4.474 4.340 0.000 0.000 0.270 270 L C -1.681 175.172 176.870 -0.028 0.000 1.236 270 L CA -1.438 53.403 54.840 0.001 0.000 0.823 270 L CB -0.827 41.322 42.059 0.151 0.000 1.098 270 L HN 0.302 nan 8.230 nan 0.000 0.500 271 P HA 0.014 nan 4.420 nan 0.000 0.261 271 P C -0.871 176.427 177.300 -0.003 0.000 1.183 271 P CA 0.222 63.294 63.100 -0.047 0.000 0.761 271 P CB 0.224 31.893 31.700 -0.050 0.000 0.785 272 R N 0.940 121.443 120.500 0.005 0.000 2.718 272 R HA 0.351 4.691 4.340 0.000 0.000 0.307 272 R C -0.790 175.509 176.300 -0.003 0.000 1.244 272 R CA -0.624 55.481 56.100 0.009 0.000 1.348 272 R CB 0.011 30.332 30.300 0.035 0.000 1.304 272 R HN 0.203 nan 8.270 nan 0.000 0.663 273 E N 0.588 120.784 120.200 -0.008 0.000 2.373 273 E HA 0.318 4.669 4.350 0.000 0.000 0.267 273 E C 1.018 177.611 176.600 -0.013 0.000 1.032 273 E CA 1.120 57.514 56.400 -0.010 0.000 0.889 273 E CB 0.796 30.491 29.700 -0.009 0.000 0.984 273 E HN 0.528 nan 8.360 nan 0.000 0.425 274 G N 1.917 110.709 108.800 -0.013 0.000 2.148 274 G HA2 -0.295 3.665 3.960 0.000 0.000 0.254 274 G HA3 -0.295 3.665 3.960 0.000 0.000 0.254 274 G C -0.193 174.697 174.900 -0.016 0.000 0.981 274 G CA -0.010 45.081 45.100 -0.015 0.000 0.670 274 G HN 0.395 nan 8.290 nan 0.000 0.528 275 Q N -0.091 119.700 119.800 -0.015 0.000 2.306 275 Q HA 0.491 4.832 4.340 0.000 0.000 0.265 275 Q C -2.603 173.388 176.000 -0.015 0.000 1.022 275 Q CA -1.977 53.818 55.803 -0.013 0.000 0.853 275 Q CB 1.718 30.451 28.738 -0.008 0.000 1.327 275 Q HN 0.138 nan 8.270 nan 0.000 0.449 276 P HA -0.051 nan 4.420 nan 0.000 0.263 276 P C 0.433 177.713 177.300 -0.034 0.000 1.195 276 P CA -0.045 63.042 63.100 -0.021 0.000 0.762 276 P CB 0.463 32.154 31.700 -0.015 0.000 0.799 277 L N 4.191 125.386 121.223 -0.046 0.000 2.079 277 L HA -0.166 4.174 4.340 0.000 0.000 0.210 277 L C 1.534 178.345 176.870 -0.098 0.000 1.081 277 L CA 1.986 56.786 54.840 -0.066 0.000 0.752 277 L CB -0.369 41.648 42.059 -0.069 0.000 0.896 277 L HN 0.411 nan 8.230 nan 0.000 0.433 278 L N -2.112 119.055 121.223 -0.093 0.000 2.731 278 L HA 0.131 4.471 4.340 0.000 0.000 0.240 278 L C 2.038 178.853 176.870 -0.092 0.000 1.120 278 L CA -0.135 54.635 54.840 -0.116 0.000 0.913 278 L CB -0.030 41.962 42.059 -0.112 0.000 1.213 278 L HN 0.148 nan 8.230 nan 0.000 0.515 279 E N 0.992 121.161 120.200 -0.051 0.000 2.017 279 E HA -0.172 4.178 4.350 0.000 0.000 0.193 279 E C 0.371 176.973 176.600 0.004 0.000 0.997 279 E CA 1.507 57.901 56.400 -0.011 0.000 0.804 279 E CB 0.132 29.841 29.700 0.015 0.000 0.757 279 E HN 0.426 nan 8.360 nan 0.000 0.448 280 H N -1.336 117.672 119.070 -0.104 0.000 2.924 280 H HA 0.417 4.973 4.556 0.000 0.000 0.333 280 H C -0.178 174.995 175.328 -0.258 0.000 0.979 280 H CA -0.581 55.372 56.048 -0.158 0.000 1.326 280 H CB 0.880 30.587 29.762 -0.091 0.000 1.600 280 H HN -0.044 nan 8.280 nan 0.000 0.520 281 R N 3.192 123.326 120.500 -0.610 0.000 2.313 281 R HA 0.270 4.610 4.340 0.000 0.000 0.199 281 R C 0.174 176.206 176.300 -0.446 0.000 0.958 281 R CA 0.457 56.147 56.100 -0.685 0.000 1.047 281 R CB 0.559 30.138 30.300 -1.202 0.000 0.955 281 R HN 0.791 nan 8.270 nan 0.000 0.481 282 G N -0.363 108.368 108.800 -0.114 0.000 2.347 282 G HA2 -0.084 3.877 3.960 0.000 0.000 0.477 282 G HA3 -0.084 3.877 3.960 0.000 0.000 0.477 282 G C -1.864 173.078 174.900 0.071 0.000 1.349 282 G CA -1.055 44.123 45.100 0.131 0.000 1.000 282 G HN 0.081 nan 8.290 nan 0.000 0.605 283 Y N -0.692 119.806 120.300 0.329 0.000 2.331 283 Y HA 0.539 5.090 4.550 0.000 0.000 0.334 283 Y C 0.452 176.534 175.900 0.303 0.000 0.960 283 Y CA -0.682 57.610 58.100 0.320 0.000 1.130 283 Y CB 2.082 40.714 38.460 0.287 0.000 1.164 283 Y HN 0.685 nan 8.280 nan 0.000 0.458 284 C N 5.806 125.336 119.300 0.383 0.000 2.242 284 C HA 0.234 4.694 4.460 0.000 0.000 0.317 284 C C -1.200 173.952 174.990 0.270 0.000 1.087 284 C CA -1.458 57.761 59.018 0.336 0.000 1.535 284 C CB 0.234 28.125 27.740 0.253 0.000 1.893 284 C HN 0.655 nan 8.230 nan 0.000 0.426 285 P HA -0.051 nan 4.420 nan 0.000 0.222 285 P C 1.005 178.360 177.300 0.092 0.000 1.153 285 P CA 1.122 64.309 63.100 0.147 0.000 0.798 285 P CB 0.249 32.067 31.700 0.197 0.000 0.796 286 L N -1.313 119.975 121.223 0.109 0.000 2.599 286 L HA 0.172 4.512 4.340 0.000 0.000 0.230 286 L C 1.585 178.490 176.870 0.057 0.000 1.141 286 L CA 0.347 55.197 54.840 0.016 0.000 0.877 286 L CB -1.334 40.627 42.059 -0.164 0.000 1.009 286 L HN 0.096 nan 8.230 nan 0.000 0.447 287 G N 1.351 110.222 108.800 0.118 0.000 2.564 287 G HA2 -0.328 3.632 3.960 0.000 0.000 0.273 287 G HA3 -0.328 3.632 3.960 0.000 0.000 0.273 287 G C -0.040 174.936 174.900 0.126 0.000 1.242 287 G CA -0.256 44.927 45.100 0.140 0.000 0.951 287 G HN 0.406 nan 8.290 nan 0.000 0.564 288 R N 1.269 121.852 120.500 0.139 0.000 2.202 288 R HA 0.483 4.823 4.340 0.000 0.000 0.334 288 R C 0.178 176.534 176.300 0.093 0.000 1.036 288 R CA -0.210 55.955 56.100 0.109 0.000 0.878 288 R CB 1.101 31.460 30.300 0.098 0.000 1.067 288 R HN 0.624 nan 8.270 nan 0.000 0.457 289 E N 0.795 121.027 120.200 0.053 0.000 2.259 289 E HA 0.289 4.639 4.350 0.000 0.000 0.257 289 E C -0.513 176.046 176.600 -0.067 0.000 0.998 289 E CA -0.782 55.625 56.400 0.011 0.000 0.866 289 E CB 1.600 31.297 29.700 -0.006 0.000 1.220 289 E HN 0.284 nan 8.360 nan 0.000 0.415 290 T N 0.921 115.379 114.554 -0.160 0.000 2.767 290 T HA 0.589 4.939 4.350 0.000 0.000 0.284 290 T C -0.715 173.802 174.700 -0.306 0.000 0.973 290 T CA -0.471 61.472 62.100 -0.263 0.000 0.996 290 T CB 1.040 69.692 68.868 -0.360 0.000 0.927 290 T HN 0.494 nan 8.240 nan 0.000 0.456 291 A N 3.344 125.923 122.820 -0.402 0.000 2.435 291 A HA 0.925 5.245 4.320 0.000 0.000 0.296 291 A C -1.173 176.281 177.584 -0.216 0.000 1.147 291 A CA -0.838 50.993 52.037 -0.343 0.000 0.775 291 A CB 1.249 20.018 19.000 -0.384 0.000 1.340 291 A HN 0.850 nan 8.150 nan 0.000 0.427 292 I N -0.007 120.583 120.570 0.034 0.000 2.533 292 I HA 0.436 4.606 4.170 0.000 0.000 0.290 292 I C -1.265 175.020 176.117 0.279 0.000 1.056 292 I CA -0.463 60.951 61.300 0.191 0.000 1.057 292 I CB 1.850 39.941 38.000 0.152 0.000 1.240 292 I HN 0.613 nan 8.210 nan 0.000 0.423 293 Q N 6.148 126.131 119.800 0.305 0.000 2.345 293 Q HA 0.481 4.821 4.340 0.000 0.000 0.268 293 Q C -0.876 175.238 176.000 0.190 0.000 1.054 293 Q CA -0.766 55.158 55.803 0.202 0.000 0.835 293 Q CB 2.517 31.302 28.738 0.080 0.000 1.339 293 Q HN 0.638 nan 8.270 nan 0.000 0.447 294 R N 1.120 121.662 120.500 0.069 0.000 2.531 294 R HA 0.554 4.895 4.340 0.000 0.000 0.273 294 R C -0.640 175.566 176.300 -0.156 0.000 1.070 294 R CA -0.149 55.843 56.100 -0.180 0.000 1.112 294 R CB 0.560 30.745 30.300 -0.193 0.000 1.049 294 R HN 0.515 nan 8.270 nan 0.000 0.508 295 L N 2.851 123.943 121.223 -0.219 0.000 2.354 295 L HA 0.465 4.805 4.340 0.000 0.000 0.269 295 L C -0.433 176.350 176.870 -0.146 0.000 1.005 295 L CA -0.709 54.028 54.840 -0.171 0.000 0.819 295 L CB 2.036 43.991 42.059 -0.173 0.000 1.311 295 L HN 0.774 nan 8.230 nan 0.000 0.423 296 E N 0.799 120.890 120.200 -0.182 0.000 2.359 296 E HA 0.477 4.827 4.350 0.000 0.000 0.266 296 E C -1.963 174.503 176.600 -0.223 0.000 0.920 296 E CA -0.900 55.447 56.400 -0.088 0.000 0.788 296 E CB 1.886 31.574 29.700 -0.020 0.000 1.279 296 E HN 0.351 nan 8.360 nan 0.000 0.438 297 W N 0.767 122.013 121.300 -0.090 0.000 2.606 297 W HA 0.500 5.160 4.660 0.000 0.000 0.332 297 W C -0.486 176.029 176.519 -0.006 0.000 1.052 297 W CA -0.611 56.684 57.345 -0.083 0.000 1.223 297 W CB 2.049 31.359 29.460 -0.250 0.000 1.383 297 W HN 0.342 nan 8.180 nan 0.000 0.524 298 K N 2.291 122.877 120.400 0.311 0.000 2.615 298 K HA 0.167 4.487 4.320 0.000 0.000 0.249 298 K C -1.309 175.458 176.600 0.278 0.000 0.977 298 K CA -0.791 55.603 56.287 0.179 0.000 0.833 298 K CB 1.794 34.237 32.500 -0.095 0.000 1.208 298 K HN 0.432 nan 8.250 nan 0.000 0.443 299 D N 2.063 122.578 120.400 0.191 0.000 2.701 299 D HA -0.191 4.449 4.640 0.000 0.000 0.235 299 D C 0.728 177.132 176.300 0.173 0.000 1.155 299 D CA 2.137 56.245 54.000 0.181 0.000 0.649 299 D CB -0.986 39.925 40.800 0.185 0.000 1.050 299 D HN 1.037 nan 8.370 nan 0.000 0.425 300 G N -1.902 106.997 108.800 0.165 0.000 2.160 300 G HA2 -0.266 3.694 3.960 0.000 0.000 0.244 300 G HA3 -0.266 3.694 3.960 0.000 0.000 0.244 300 G C -0.181 174.673 174.900 -0.076 0.000 1.022 300 G CA 0.045 45.179 45.100 0.055 0.000 0.741 300 G HN 0.391 nan 8.290 nan 0.000 0.508 301 W N 0.282 121.750 121.300 0.280 0.000 3.042 301 W HA 0.529 5.189 4.660 0.000 0.000 0.337 301 W C -2.193 174.128 176.519 -0.331 0.000 1.086 301 W CA -2.404 54.905 57.345 -0.060 0.000 1.236 301 W CB 2.233 31.489 29.460 -0.341 0.000 1.381 301 W HN -0.005 nan 8.180 nan 0.000 0.472 302 P HA 0.232 nan 4.420 nan 0.000 0.277 302 P C -1.422 175.598 177.300 -0.467 0.000 1.240 302 P CA -0.033 62.401 63.100 -1.109 0.000 0.798 302 P CB 1.332 32.131 31.700 -1.502 0.000 0.979 303 Y N -0.444 119.635 120.300 -0.369 0.000 2.421 303 Y HA 0.224 4.774 4.550 0.000 0.000 0.339 303 Y C 0.117 175.899 175.900 -0.198 0.000 0.996 303 Y CA -1.115 56.883 58.100 -0.170 0.000 1.046 303 Y CB 2.103 40.510 38.460 -0.088 0.000 1.226 303 Y HN 0.017 nan 8.280 nan 0.000 0.445 304 V N 4.695 124.574 119.914 -0.058 0.000 2.521 304 V HA 0.028 4.148 4.120 0.000 0.000 0.286 304 V C 0.088 176.166 176.094 -0.027 0.000 1.034 304 V CA -0.545 61.711 62.300 -0.072 0.000 1.045 304 V CB 0.624 32.383 31.823 -0.106 0.000 0.974 304 V HN 0.519 nan 8.190 nan 0.000 0.480 305 V N 5.470 125.360 119.914 -0.040 0.000 2.434 305 V HA 0.362 4.482 4.120 0.000 0.000 0.281 305 V C 1.129 177.206 176.094 -0.028 0.000 1.005 305 V CA 1.216 63.498 62.300 -0.029 0.000 1.089 305 V CB -0.056 31.744 31.823 -0.038 0.000 0.978 305 V HN 1.336 nan 8.190 nan 0.000 0.474 306 G N 3.742 112.528 108.800 -0.023 0.000 2.638 306 G HA2 0.323 4.283 3.960 0.000 0.000 0.269 306 G HA3 0.323 4.283 3.960 0.000 0.000 0.269 306 G C 0.450 175.316 174.900 -0.056 0.000 1.141 306 G CA -0.206 44.874 45.100 -0.033 0.000 1.081 306 G HN 2.203 nan 8.290 nan 0.000 0.527 307 G N 0.472 109.257 108.800 -0.026 0.000 2.856 307 G HA2 0.088 4.048 3.960 0.000 0.000 0.674 307 G HA3 0.088 4.048 3.960 0.000 0.000 0.674 307 G C 0.617 175.482 174.900 -0.059 0.000 1.519 307 G CA 0.333 45.420 45.100 -0.022 0.000 0.940 307 G HN 2.117 nan 8.290 nan 0.000 0.564 308 N N 0.421 119.111 118.700 -0.016 0.000 2.485 308 N HA 0.280 5.020 4.740 0.000 0.000 0.199 308 N C 0.868 176.324 175.510 -0.090 0.000 1.236 308 N CA 1.005 54.027 53.050 -0.046 0.000 0.852 308 N CB 0.040 38.514 38.487 -0.021 0.000 1.018 308 N HN 1.176 nan 8.380 nan 0.000 0.457 309 G N 0.572 109.189 108.800 -0.305 0.000 2.410 309 G HA2 0.480 4.440 3.960 0.000 0.000 0.330 309 G HA3 0.480 4.440 3.960 0.000 0.000 0.330 309 G C -2.853 171.873 174.900 -0.290 0.000 1.142 309 G CA -1.465 43.343 45.100 -0.487 0.000 0.902 309 G HN 0.092 nan 8.290 nan 0.000 0.491 310 P HA 0.189 nan 4.420 nan 0.000 0.276 310 P C -0.125 177.151 177.300 -0.041 0.000 1.243 310 P CA -0.140 62.912 63.100 -0.079 0.000 0.768 310 P CB 1.290 33.011 31.700 0.034 0.000 0.856 311 S N 2.779 118.473 115.700 -0.011 0.000 2.565 311 S HA 0.095 4.565 4.470 0.000 0.000 0.274 311 S C 1.384 176.018 174.600 0.057 0.000 1.309 311 S CA -0.505 57.700 58.200 0.009 0.000 1.043 311 S CB 0.670 63.877 63.200 0.012 0.000 0.939 311 S HN 0.427 nan 8.310 nan 0.000 0.504 312 L N 2.112 123.366 121.223 0.052 0.000 2.109 312 L HA 0.207 4.547 4.340 0.000 0.000 0.207 312 L C 0.701 177.614 176.870 0.072 0.000 1.086 312 L CA 1.710 56.592 54.840 0.069 0.000 0.760 312 L CB -0.114 41.983 42.059 0.063 0.000 0.910 312 L HN 0.750 nan 8.230 nan 0.000 0.437 313 E N -0.650 119.588 120.200 0.062 0.000 2.272 313 E HA 0.526 4.876 4.350 0.000 0.000 0.269 313 E C -1.037 175.605 176.600 0.070 0.000 0.877 313 E CA -0.647 55.792 56.400 0.065 0.000 0.755 313 E CB 1.603 31.335 29.700 0.053 0.000 1.192 313 E HN 0.255 nan 8.360 nan 0.000 0.422 314 I N -0.922 119.702 120.570 0.089 0.000 3.294 314 I HA 0.606 4.776 4.170 0.000 0.000 0.311 314 I C -0.863 175.321 176.117 0.111 0.000 1.111 314 I CA -1.026 60.339 61.300 0.108 0.000 0.976 314 I CB 2.014 40.112 38.000 0.163 0.000 1.260 314 I HN 0.212 nan 8.210 nan 0.000 0.474 315 D N 2.323 122.801 120.400 0.130 0.000 2.274 315 D HA 0.361 5.002 4.640 0.000 0.000 0.239 315 D C 0.260 176.697 176.300 0.228 0.000 1.104 315 D CA 0.072 54.150 54.000 0.130 0.000 0.840 315 D CB 1.911 42.768 40.800 0.096 0.000 1.100 315 D HN 0.862 nan 8.370 nan 0.000 0.477 316 G N 2.679 111.570 108.800 0.151 0.000 2.647 316 G HA2 0.229 4.189 3.960 0.000 0.000 0.271 316 G HA3 0.229 4.189 3.960 0.000 0.000 0.271 316 G C -2.234 172.791 174.900 0.209 0.000 1.300 316 G CA -0.597 44.568 45.100 0.107 0.000 0.997 316 G HN 0.282 nan 8.290 nan 0.000 0.533 317 P HA 0.217 nan 4.420 nan 0.000 0.276 317 P C -0.227 177.091 177.300 0.030 0.000 1.244 317 P CA -0.471 62.697 63.100 0.114 0.000 0.801 317 P CB 1.113 32.756 31.700 -0.096 0.000 1.006 318 S N -0.005 115.711 115.700 0.028 0.000 4.117 318 S HA 0.253 4.723 4.470 0.000 0.000 0.191 318 S C 0.635 175.217 174.600 -0.030 0.000 1.308 318 S CA -0.380 57.818 58.200 -0.003 0.000 0.906 318 S CB -1.520 61.677 63.200 -0.005 0.000 1.565 318 S HN 0.400 nan 8.310 nan 0.000 0.439 319 V N -1.393 118.507 119.914 -0.024 0.000 3.130 319 V HA 0.593 4.713 4.120 0.000 0.000 0.310 319 V C -0.517 175.560 176.094 -0.029 0.000 1.158 319 V CA -1.512 60.783 62.300 -0.007 0.000 1.029 319 V CB 1.587 33.433 31.823 0.040 0.000 1.057 319 V HN 0.280 nan 8.190 nan 0.000 0.436 320 E N 1.172 121.354 120.200 -0.029 0.000 2.373 320 E HA 0.202 4.552 4.350 0.000 0.000 0.267 320 E C -0.172 176.369 176.600 -0.098 0.000 1.032 320 E CA -0.098 56.269 56.400 -0.056 0.000 0.889 320 E CB 0.859 30.529 29.700 -0.050 0.000 0.984 320 E HN 0.761 nan 8.360 nan 0.000 0.425 321 E N 2.068 122.198 120.200 -0.116 0.000 2.376 321 E HA 0.073 4.423 4.350 0.000 0.000 0.266 321 E C -1.189 175.269 176.600 -0.237 0.000 1.009 321 E CA -0.143 56.156 56.400 -0.170 0.000 0.902 321 E CB 0.756 30.370 29.700 -0.143 0.000 0.972 321 E HN 0.137 nan 8.360 nan 0.000 0.439 322 V N 4.941 124.639 119.914 -0.360 0.000 2.325 322 V HA 0.120 4.240 4.120 0.000 0.000 0.280 322 V C 0.155 175.732 176.094 -0.861 0.000 1.016 322 V CA -0.656 61.306 62.300 -0.564 0.000 0.818 322 V CB 1.088 32.533 31.823 -0.629 0.000 1.019 322 V HN 0.701 nan 8.190 nan 0.000 0.434 323 S N 3.664 118.972 115.700 -0.654 0.000 2.652 323 S HA 0.696 5.166 4.470 0.000 0.000 0.270 323 S C -0.950 173.256 174.600 -0.656 0.000 1.243 323 S CA -0.576 57.265 58.200 -0.599 0.000 0.999 323 S CB 1.104 64.152 63.200 -0.253 0.000 0.973 323 S HN 0.546 nan 8.310 nan 0.000 0.544 324 W N 0.549 121.855 121.300 0.009 0.000 2.689 324 W HA 0.447 5.108 4.660 0.000 0.000 0.340 324 W C 0.143 176.687 176.519 0.042 0.000 1.060 324 W CA -0.996 56.371 57.345 0.037 0.000 1.218 324 W CB 1.004 30.507 29.460 0.072 0.000 1.410 324 W HN 0.863 nan 8.180 nan 0.000 0.528 325 E N 1.596 121.969 120.200 0.288 0.000 2.404 325 E HA 0.116 4.466 4.350 0.000 0.000 0.261 325 E C -0.238 176.464 176.600 0.170 0.000 1.074 325 E CA -0.689 55.810 56.400 0.166 0.000 0.917 325 E CB 0.991 30.762 29.700 0.119 0.000 0.965 325 E HN 0.300 nan 8.360 nan 0.000 0.433 326 K N 1.622 122.078 120.400 0.093 0.000 2.436 326 K HA -0.067 4.253 4.320 0.000 0.000 0.282 326 K C -0.098 176.559 176.600 0.095 0.000 1.044 326 K CA 0.152 56.475 56.287 0.059 0.000 1.028 326 K CB 0.351 32.800 32.500 -0.085 0.000 0.919 326 K HN 0.606 nan 8.250 nan 0.000 0.474 327 D N 3.884 124.423 120.400 0.232 0.000 2.358 327 D HA -0.011 4.629 4.640 0.000 0.000 0.224 327 D C -0.488 176.042 176.300 0.384 0.000 1.123 327 D CA -0.019 54.152 54.000 0.284 0.000 0.833 327 D CB -0.365 40.656 40.800 0.369 0.000 0.946 327 D HN 0.462 nan 8.370 nan 0.000 0.505 328 Y N -2.545 117.864 120.300 0.182 0.000 2.656 328 Y HA 0.535 5.085 4.550 0.000 0.000 0.334 328 Y C -1.501 174.460 175.900 0.101 0.000 1.179 328 Y CA -1.512 56.676 58.100 0.147 0.000 1.050 328 Y CB 0.776 39.369 38.460 0.222 0.000 1.308 328 Y HN -0.349 nan 8.280 nan 0.000 0.456 329 D N 2.446 122.924 120.400 0.130 0.000 2.249 329 D HA 0.079 4.719 4.640 0.000 0.000 0.246 329 D C 0.820 177.187 176.300 0.111 0.000 1.114 329 D CA -0.075 53.936 54.000 0.018 0.000 0.854 329 D CB 2.017 42.847 40.800 0.050 0.000 1.132 329 D HN 0.951 nan 8.370 nan 0.000 0.461 330 E N 2.925 123.108 120.200 -0.029 0.000 2.086 330 E HA -0.262 4.088 4.350 0.000 0.000 0.205 330 E C 0.244 176.910 176.600 0.108 0.000 1.027 330 E CA 1.316 57.761 56.400 0.076 0.000 0.830 330 E CB 0.238 29.919 29.700 -0.031 0.000 0.751 330 E HN 0.228 nan 8.360 nan 0.000 0.456 331 K N 1.307 121.720 120.400 0.021 0.000 2.354 331 K HA 0.051 4.371 4.320 0.000 0.000 0.257 331 K C -1.295 175.305 176.600 0.001 0.000 1.062 331 K CA -0.468 55.804 56.287 -0.025 0.000 0.971 331 K CB 0.940 33.337 32.500 -0.171 0.000 1.305 331 K HN -0.062 nan 8.250 nan 0.000 0.449 332 D N 3.510 123.950 120.400 0.066 0.000 2.365 332 D HA 0.014 4.654 4.640 0.000 0.000 0.237 332 D C -0.071 176.096 176.300 -0.222 0.000 1.190 332 D CA 0.005 53.999 54.000 -0.010 0.000 0.867 332 D CB 1.061 41.921 40.800 0.099 0.000 1.050 332 D HN 0.555 nan 8.370 nan 0.000 0.491 333 D N 3.120 123.449 120.400 -0.117 0.000 2.336 333 D HA -0.071 4.570 4.640 0.000 0.000 0.229 333 D C 0.094 176.403 176.300 0.016 0.000 1.061 333 D CA -0.015 53.949 54.000 -0.060 0.000 0.875 333 D CB -0.032 40.774 40.800 0.009 0.000 0.904 333 D HN 0.407 nan 8.370 nan 0.000 0.525 334 F N 0.407 120.461 119.950 0.174 0.000 2.905 334 F HA -0.213 4.314 4.527 0.000 0.000 0.291 334 F C 0.988 176.847 175.800 0.099 0.000 1.002 334 F CA -0.084 57.998 58.000 0.136 0.000 0.978 334 F CB -1.909 37.161 39.000 0.117 0.000 1.036 334 F HN 0.025 nan 8.300 nan 0.000 0.820 335 D N -0.505 120.023 120.400 0.213 0.000 2.327 335 D HA 0.120 4.761 4.640 0.000 0.000 0.205 335 D C 1.837 178.214 176.300 0.129 0.000 0.989 335 D CA 1.089 55.176 54.000 0.145 0.000 0.873 335 D CB 0.102 40.959 40.800 0.096 0.000 0.955 335 D HN 0.495 nan 8.370 nan 0.000 0.515 336 G N 1.110 109.995 108.800 0.142 0.000 2.570 336 G HA2 0.067 4.027 3.960 0.000 0.000 0.276 336 G HA3 0.067 4.027 3.960 0.000 0.000 0.276 336 G C 0.563 175.519 174.900 0.094 0.000 1.346 336 G CA -0.105 45.057 45.100 0.104 0.000 1.034 336 G HN 0.066 nan 8.290 nan 0.000 0.512 337 D N -1.947 118.493 120.400 0.067 0.000 2.363 337 D HA 0.125 4.765 4.640 0.000 0.000 0.214 337 D C 0.203 176.533 176.300 0.050 0.000 1.093 337 D CA 0.114 54.147 54.000 0.054 0.000 0.837 337 D CB 0.433 41.256 40.800 0.038 0.000 0.948 337 D HN 0.125 nan 8.370 nan 0.000 0.507 338 T N 0.383 114.976 114.554 0.064 0.000 2.923 338 T HA 0.354 4.704 4.350 0.000 0.000 0.311 338 T C -0.212 174.553 174.700 0.109 0.000 1.183 338 T CA -0.664 61.473 62.100 0.062 0.000 1.020 338 T CB 2.154 71.044 68.868 0.037 0.000 1.165 338 T HN -0.018 nan 8.240 nan 0.000 0.482 339 L N 2.773 124.067 121.223 0.117 0.000 2.456 339 L HA 0.269 4.610 4.340 0.000 0.000 0.272 339 L C 1.297 178.326 176.870 0.265 0.000 1.189 339 L CA -0.534 54.441 54.840 0.224 0.000 0.846 339 L CB 0.311 42.462 42.059 0.153 0.000 1.111 339 L HN 0.621 nan 8.230 nan 0.000 0.475 340 N N 1.814 120.751 118.700 0.395 0.000 2.407 340 N HA -0.110 4.630 4.740 0.000 0.000 0.250 340 N C 1.020 176.628 175.510 0.163 0.000 1.236 340 N CA 0.076 53.256 53.050 0.216 0.000 0.879 340 N CB 0.562 39.153 38.487 0.173 0.000 1.088 340 N HN 0.722 nan 8.380 nan 0.000 0.450 341 H N 1.753 120.732 119.070 -0.152 0.000 2.567 341 H HA 0.018 4.574 4.556 0.000 0.000 0.276 341 H C 0.403 175.527 175.328 -0.340 0.000 1.016 341 H CA 0.360 56.271 56.048 -0.228 0.000 1.186 341 H CB 0.031 29.636 29.762 -0.262 0.000 1.351 341 H HN 0.564 nan 8.280 nan 0.000 0.605 342 H N 0.261 119.243 119.070 -0.146 0.000 2.548 342 H HA 0.036 4.592 4.556 0.000 0.000 0.268 342 H C -0.219 174.882 175.328 -0.378 0.000 0.975 342 H CA -0.007 55.802 56.048 -0.397 0.000 1.195 342 H CB -0.082 29.320 29.762 -0.599 0.000 1.397 342 H HN 0.279 nan 8.280 nan 0.000 0.572 343 F N 1.965 121.888 119.950 -0.044 0.000 2.427 343 F HA 0.261 4.788 4.527 0.000 0.000 0.352 343 F C 0.771 176.548 175.800 -0.039 0.000 1.100 343 F CA -0.228 57.721 58.000 -0.085 0.000 1.191 343 F CB 0.873 39.824 39.000 -0.081 0.000 1.128 343 F HN -0.067 nan 8.300 nan 0.000 0.533 344 Q N 0.721 120.638 119.800 0.195 0.000 2.496 344 Q HA 0.610 4.950 4.340 0.000 0.000 0.286 344 Q C -0.569 175.562 176.000 0.219 0.000 1.103 344 Q CA -1.118 54.813 55.803 0.213 0.000 0.813 344 Q CB 2.678 31.583 28.738 0.278 0.000 1.444 344 Q HN 0.698 nan 8.270 nan 0.000 0.443 345 T N -2.320 112.383 114.554 0.249 0.000 2.942 345 T HA 0.615 4.965 4.350 0.000 0.000 0.289 345 T C -0.273 174.441 174.700 0.022 0.000 1.044 345 T CA -0.864 61.295 62.100 0.097 0.000 1.023 345 T CB 0.625 69.516 68.868 0.039 0.000 1.123 345 T HN 0.381 nan 8.240 nan 0.000 0.512 346 L N 2.673 123.756 121.223 -0.234 0.000 2.315 346 L HA 0.412 4.753 4.340 0.000 0.000 0.283 346 L C 1.384 178.108 176.870 -0.244 0.000 1.089 346 L CA -0.342 54.230 54.840 -0.448 0.000 0.833 346 L CB 0.231 41.994 42.059 -0.493 0.000 1.170 346 L HN 0.903 nan 8.230 nan 0.000 0.442 347 R N 1.353 121.745 120.500 -0.179 0.000 2.991 347 R HA -0.255 4.086 4.340 0.000 0.000 0.236 347 R C 0.026 176.213 176.300 -0.188 0.000 0.788 347 R CA 2.139 58.166 56.100 -0.122 0.000 1.764 347 R CB -1.206 28.979 30.300 -0.191 0.000 1.289 347 R HN 0.722 nan 8.270 nan 0.000 0.583 348 I N -1.474 118.893 120.570 -0.339 0.000 2.785 348 I HA 0.627 4.797 4.170 0.000 0.000 0.302 348 I C -2.654 173.000 176.117 -0.771 0.000 1.069 348 I CA -2.861 58.050 61.300 -0.647 0.000 1.045 348 I CB 2.408 40.194 38.000 -0.357 0.000 1.236 348 I HN -0.230 nan 8.210 nan 0.000 0.429 349 P HA 0.242 nan 4.420 nan 0.000 0.271 349 P C -1.051 176.119 177.300 -0.217 0.000 1.216 349 P CA -0.035 62.815 63.100 -0.416 0.000 0.776 349 P CB 1.034 32.573 31.700 -0.269 0.000 0.881 350 L N 2.548 123.711 121.223 -0.099 0.000 2.264 350 L HA 0.476 4.816 4.340 0.000 0.000 0.289 350 L C 1.407 178.246 176.870 -0.050 0.000 1.044 350 L CA -0.489 54.304 54.840 -0.079 0.000 0.807 350 L CB 1.136 43.154 42.059 -0.068 0.000 1.192 350 L HN 0.440 nan 8.230 nan 0.000 0.425 351 G N 1.364 110.133 108.800 -0.052 0.000 2.588 351 G HA2 0.149 4.109 3.960 0.000 0.000 0.281 351 G HA3 0.149 4.109 3.960 0.000 0.000 0.281 351 G C 0.610 175.496 174.900 -0.022 0.000 1.236 351 G CA -0.383 44.694 45.100 -0.037 0.000 0.969 351 G HN 0.721 nan 8.290 nan 0.000 0.504 352 E N 0.335 120.524 120.200 -0.019 0.000 2.333 352 E HA -0.148 4.202 4.350 0.000 0.000 0.198 352 E C 1.773 178.372 176.600 -0.002 0.000 1.007 352 E CA 1.218 57.618 56.400 -0.001 0.000 0.845 352 E CB 0.043 29.738 29.700 -0.009 0.000 0.766 352 E HN 0.687 nan 8.360 nan 0.000 0.507 353 D N 0.188 120.550 120.400 -0.062 0.000 2.348 353 D HA -0.108 4.533 4.640 0.000 0.000 0.216 353 D C 1.694 177.938 176.300 -0.093 0.000 0.970 353 D CA 0.618 54.520 54.000 -0.163 0.000 0.889 353 D CB -0.066 40.639 40.800 -0.160 0.000 0.912 353 D HN 0.311 nan 8.370 nan 0.000 0.524 354 I N -0.513 120.091 120.570 0.056 0.000 3.873 354 I HA 0.249 4.419 4.170 0.000 0.000 0.284 354 I C 0.584 176.791 176.117 0.150 0.000 1.186 354 I CA 0.031 61.411 61.300 0.135 0.000 1.362 354 I CB 0.524 38.537 38.000 0.021 0.000 1.432 354 I HN -0.039 nan 8.210 nan 0.000 0.454 355 A N 0.690 123.544 122.820 0.058 0.000 2.357 355 A HA 0.714 5.034 4.320 0.000 0.000 0.295 355 A C -0.547 177.027 177.584 -0.016 0.000 1.121 355 A CA -0.258 51.767 52.037 -0.019 0.000 0.742 355 A CB 1.270 20.217 19.000 -0.089 0.000 1.181 355 A HN 0.053 nan 8.150 nan 0.000 0.454 356 T N 2.193 116.729 114.554 -0.030 0.000 2.993 356 T HA 0.494 4.844 4.350 0.000 0.000 0.312 356 T C -0.043 174.629 174.700 -0.047 0.000 1.115 356 T CA -0.415 61.676 62.100 -0.014 0.000 1.027 356 T CB 0.666 69.564 68.868 0.050 0.000 1.116 356 T HN 0.453 nan 8.240 nan 0.000 0.464 357 L N 3.614 124.822 121.223 -0.025 0.000 2.607 357 L HA 0.377 4.717 4.340 0.000 0.000 0.228 357 L C 2.072 178.963 176.870 0.035 0.000 1.123 357 L CA 0.102 54.943 54.840 0.001 0.000 0.890 357 L CB 0.022 42.096 42.059 0.025 0.000 1.103 357 L HN 0.563 nan 8.230 nan 0.000 0.468 358 K N -0.039 120.374 120.400 0.022 0.000 2.361 358 K HA 0.207 4.528 4.320 0.000 0.000 0.194 358 K C 1.972 178.582 176.600 0.016 0.000 1.032 358 K CA 0.595 56.897 56.287 0.025 0.000 1.048 358 K CB 0.472 32.983 32.500 0.019 0.000 0.842 358 K HN 0.204 nan 8.250 nan 0.000 0.526 359 A N 1.428 124.248 122.820 0.000 0.000 1.935 359 A HA 0.022 4.342 4.320 0.000 0.000 0.214 359 A C 1.038 178.593 177.584 -0.048 0.000 1.178 359 A CA 0.625 52.642 52.037 -0.033 0.000 0.640 359 A CB 0.122 19.081 19.000 -0.068 0.000 0.825 359 A HN 0.093 nan 8.150 nan 0.000 0.447 360 R N 0.263 120.749 120.500 -0.024 0.000 2.473 360 R HA 0.382 4.722 4.340 0.000 0.000 0.303 360 R C -3.184 173.198 176.300 0.137 0.000 1.002 360 R CA -2.227 53.871 56.100 -0.005 0.000 0.884 360 R CB 1.507 31.725 30.300 -0.137 0.000 1.173 360 R HN 0.026 nan 8.270 nan 0.000 0.464 361 P HA 0.025 nan 4.420 nan 0.000 0.264 361 P C 0.331 177.826 177.300 0.326 0.000 1.183 361 P CA 0.970 64.184 63.100 0.190 0.000 0.763 361 P CB 0.771 32.556 31.700 0.142 0.000 0.807 362 G N 1.134 110.081 108.800 0.245 0.000 2.168 362 G HA2 -0.240 3.720 3.960 0.000 0.000 0.257 362 G HA3 -0.240 3.720 3.960 0.000 0.000 0.257 362 G C -0.234 174.749 174.900 0.137 0.000 0.997 362 G CA 0.144 45.367 45.100 0.204 0.000 0.708 362 G HN 0.705 nan 8.290 nan 0.000 0.520 363 H N -1.833 117.359 119.070 0.204 0.000 2.679 363 H HA 0.568 5.124 4.556 0.000 0.000 0.360 363 H C -0.195 175.118 175.328 -0.025 0.000 1.105 363 H CA -0.922 55.239 56.048 0.189 0.000 1.196 363 H CB 1.672 31.526 29.762 0.154 0.000 1.636 363 H HN 0.241 nan 8.280 nan 0.000 0.531 364 L N 2.820 123.904 121.223 -0.231 0.000 2.369 364 L HA 0.289 4.629 4.340 0.000 0.000 0.279 364 L C 0.111 176.942 176.870 -0.065 0.000 1.108 364 L CA 0.026 54.599 54.840 -0.445 0.000 0.852 364 L CB 0.041 41.388 42.059 -1.186 0.000 1.169 364 L HN 0.588 nan 8.230 nan 0.000 0.452 365 R N 5.655 126.105 120.500 -0.083 0.000 2.265 365 R HA 0.543 4.883 4.340 0.000 0.000 0.319 365 R C -1.484 174.727 176.300 -0.148 0.000 1.006 365 R CA -0.550 55.487 56.100 -0.106 0.000 0.880 365 R CB 0.596 30.727 30.300 -0.282 0.000 1.077 365 R HN 0.768 nan 8.270 nan 0.000 0.454 366 L N 5.867 127.056 121.223 -0.057 0.000 2.294 366 L HA 0.354 4.694 4.340 0.000 0.000 0.283 366 L C -0.907 175.910 176.870 -0.089 0.000 1.015 366 L CA -0.950 53.856 54.840 -0.058 0.000 0.831 366 L CB 1.091 43.155 42.059 0.008 0.000 1.217 366 L HN 0.623 nan 8.230 nan 0.000 0.420 367 Y N 1.615 121.945 120.300 0.051 0.000 2.436 367 Y HA 0.215 4.765 4.550 0.000 0.000 0.336 367 Y C 1.350 177.265 175.900 0.025 0.000 1.049 367 Y CA -0.085 58.065 58.100 0.082 0.000 1.294 367 Y CB 0.919 39.401 38.460 0.037 0.000 1.179 367 Y HN 0.624 nan 8.280 nan 0.000 0.520 368 G N 5.243 114.145 108.800 0.169 0.000 2.272 368 G HA2 0.180 4.140 3.960 0.000 0.000 0.247 368 G HA3 0.180 4.140 3.960 0.000 0.000 0.247 368 G C 0.411 175.342 174.900 0.052 0.000 1.272 368 G CA -0.466 44.675 45.100 0.069 0.000 0.921 368 G HN 0.518 nan 8.290 nan 0.000 0.495 369 R N 1.737 122.232 120.500 -0.010 0.000 2.769 369 R HA 0.337 4.677 4.340 0.000 0.000 0.117 369 R C 0.471 176.780 176.300 0.015 0.000 1.152 369 R CA -0.615 55.484 56.100 -0.002 0.000 0.887 369 R CB -0.218 30.069 30.300 -0.021 0.000 1.099 369 R HN 0.667 nan 8.270 nan 0.000 0.398 370 E N 1.040 121.254 120.200 0.022 0.000 2.351 370 E HA 0.162 4.512 4.350 0.000 0.000 0.255 370 E C 0.005 176.658 176.600 0.089 0.000 1.188 370 E CA -0.361 56.071 56.400 0.054 0.000 0.940 370 E CB 0.547 30.285 29.700 0.062 0.000 1.094 370 E HN 0.468 nan 8.360 nan 0.000 0.474 371 S N -0.027 115.722 115.700 0.082 0.000 2.596 371 S HA 0.031 4.501 4.470 0.000 0.000 0.260 371 S C 1.053 175.636 174.600 -0.028 0.000 1.336 371 S CA -0.447 57.783 58.200 0.049 0.000 0.993 371 S CB 0.303 63.544 63.200 0.068 0.000 0.923 371 S HN 0.512 nan 8.310 nan 0.000 0.567 372 L N 0.862 121.909 121.223 -0.293 0.000 2.450 372 L HA -0.036 4.304 4.340 0.000 0.000 0.224 372 L C 2.510 179.347 176.870 -0.056 0.000 1.149 372 L CA 1.356 55.883 54.840 -0.522 0.000 0.816 372 L CB -0.830 40.348 42.059 -1.469 0.000 0.932 372 L HN 1.034 nan 8.230 nan 0.000 0.449 373 T N -5.438 109.190 114.554 0.123 0.000 3.086 373 T HA 0.059 4.409 4.350 0.000 0.000 0.250 373 T C 0.793 175.588 174.700 0.158 0.000 1.074 373 T CA -0.141 62.092 62.100 0.221 0.000 0.988 373 T CB 0.135 69.150 68.868 0.244 0.000 0.988 373 T HN 0.095 nan 8.240 nan 0.000 0.530 374 S N 0.833 116.610 115.700 0.130 0.000 2.513 374 S HA 0.378 4.848 4.470 0.000 0.000 0.276 374 S C 0.772 175.434 174.600 0.103 0.000 1.254 374 S CA -0.880 57.419 58.200 0.165 0.000 1.053 374 S CB 0.633 63.934 63.200 0.169 0.000 0.958 374 S HN 0.461 nan 8.310 nan 0.000 0.491 375 R N 3.184 123.728 120.500 0.074 0.000 2.391 375 R HA 0.210 4.550 4.340 0.000 0.000 0.249 375 R C -0.172 175.804 176.300 -0.540 0.000 0.957 375 R CA 0.277 56.239 56.100 -0.230 0.000 1.093 375 R CB 0.046 30.153 30.300 -0.321 0.000 1.156 375 R HN 0.608 nan 8.270 nan 0.000 0.526 376 F N -1.004 118.926 119.950 -0.033 0.000 2.376 376 F HA 0.211 4.739 4.527 0.000 0.000 0.234 376 F C 0.862 176.624 175.800 -0.064 0.000 1.010 376 F CA -0.039 57.934 58.000 -0.045 0.000 1.100 376 F CB 0.220 39.202 39.000 -0.031 0.000 1.360 376 F HN -0.353 nan 8.300 nan 0.000 0.649 377 T N 2.277 116.920 114.554 0.149 0.000 2.977 377 T HA 0.361 4.711 4.350 0.000 0.000 0.346 377 T C -0.803 173.902 174.700 0.009 0.000 1.140 377 T CA -0.536 61.586 62.100 0.037 0.000 1.040 377 T CB 0.668 69.553 68.868 0.029 0.000 1.046 377 T HN 0.082 nan 8.240 nan 0.000 0.494 378 Q N 1.667 121.451 119.800 -0.026 0.000 2.316 378 Q HA 0.619 4.959 4.340 0.000 0.000 0.264 378 Q C -0.439 175.497 176.000 -0.107 0.000 0.987 378 Q CA -0.901 54.871 55.803 -0.051 0.000 0.852 378 Q CB 2.275 31.014 28.738 0.002 0.000 1.287 378 Q HN 0.719 nan 8.270 nan 0.000 0.448 379 A N 3.578 126.264 122.820 -0.223 0.000 2.915 379 A HA 0.366 4.686 4.320 0.000 0.000 0.292 379 A C -1.130 176.281 177.584 -0.289 0.000 1.632 379 A CA 0.097 52.002 52.037 -0.219 0.000 1.337 379 A CB -0.502 18.386 19.000 -0.188 0.000 1.111 379 A HN 0.505 nan 8.150 nan 0.000 0.569 380 F N 2.351 122.094 119.950 -0.344 0.000 2.573 380 F HA 0.536 5.063 4.527 0.000 0.000 0.316 380 F C -1.276 174.404 175.800 -0.200 0.000 1.148 380 F CA -1.381 56.453 58.000 -0.276 0.000 0.940 380 F CB 2.053 40.942 39.000 -0.186 0.000 1.214 380 F HN 0.096 nan 8.300 nan 0.000 0.448 381 V N 5.563 125.232 119.914 -0.408 0.000 2.443 381 V HA 0.895 5.015 4.120 0.000 0.000 0.293 381 V C -0.459 175.275 176.094 -0.601 0.000 1.021 381 V CA -0.422 61.573 62.300 -0.508 0.000 0.848 381 V CB 1.018 32.481 31.823 -0.599 0.000 0.998 381 V HN 1.031 nan 8.190 nan 0.000 0.424 382 A N 5.499 128.072 122.820 -0.412 0.000 2.515 382 A HA 1.028 5.348 4.320 0.000 0.000 0.296 382 A C -0.628 177.007 177.584 0.085 0.000 1.094 382 A CA -0.951 50.945 52.037 -0.235 0.000 0.718 382 A CB 2.094 20.807 19.000 -0.479 0.000 1.307 382 A HN 0.963 nan 8.150 nan 0.000 0.408 383 R N 0.437 120.931 120.500 -0.009 0.000 2.854 383 R HA 0.765 5.105 4.340 0.000 0.000 0.271 383 R C -0.679 175.205 176.300 -0.693 0.000 0.996 383 R CA -0.906 54.992 56.100 -0.336 0.000 0.961 383 R CB 1.194 31.148 30.300 -0.578 0.000 1.182 383 R HN 0.617 nan 8.270 nan 0.000 0.479 384 R N 0.707 120.524 120.500 -1.138 0.000 2.679 384 R HA 0.017 4.358 4.340 0.000 0.000 0.268 384 R C -0.625 175.286 176.300 -0.647 0.000 1.044 384 R CA 0.042 55.392 56.100 -1.252 0.000 1.105 384 R CB 0.339 30.041 30.300 -0.997 0.000 0.989 384 R HN 0.473 nan 8.270 nan 0.000 0.447 385 W N 2.298 123.224 121.300 -0.624 0.000 2.308 385 W HA 0.060 4.720 4.660 0.000 0.000 0.324 385 W C 0.807 177.066 176.519 -0.434 0.000 1.387 385 W CA 0.142 57.240 57.345 -0.411 0.000 1.250 385 W CB 0.424 29.828 29.460 -0.093 0.000 1.257 385 W HN 0.587 nan 8.180 nan 0.000 0.554 386 Q N 1.532 121.176 119.800 -0.259 0.000 2.140 386 Q HA 0.094 4.434 4.340 0.000 0.000 0.227 386 Q C -0.683 174.871 176.000 -0.743 0.000 0.798 386 Q CA 0.192 55.712 55.803 -0.471 0.000 0.987 386 Q CB 0.783 29.180 28.738 -0.569 0.000 1.161 386 Q HN 0.533 nan 8.270 nan 0.000 0.480 387 H N -2.539 116.526 119.070 -0.009 0.000 3.012 387 H HA 0.192 4.748 4.556 0.000 0.000 0.367 387 H C -0.449 174.930 175.328 0.086 0.000 1.211 387 H CA -0.713 55.359 56.048 0.041 0.000 1.139 387 H CB 0.875 30.721 29.762 0.139 0.000 1.838 387 H HN -0.129 nan 8.280 nan 0.000 0.550 388 F N 0.012 120.144 119.950 0.303 0.000 2.293 388 F HA -0.033 4.495 4.527 0.000 0.000 0.300 388 F C 0.802 176.459 175.800 -0.237 0.000 1.086 388 F CA 0.953 58.987 58.000 0.056 0.000 1.375 388 F CB 0.180 39.156 39.000 -0.040 0.000 1.045 388 F HN 0.376 nan 8.300 nan 0.000 0.516 389 H N -0.614 118.618 119.070 0.270 0.000 2.658 389 H HA 0.459 5.015 4.556 0.000 0.000 0.337 389 H C -0.886 174.458 175.328 0.028 0.000 1.009 389 H CA -0.773 55.301 56.048 0.044 0.000 1.231 389 H CB 1.181 30.966 29.762 0.038 0.000 1.508 389 H HN 0.027 nan 8.280 nan 0.000 0.517 390 F N 0.308 120.168 119.950 -0.149 0.000 2.773 390 F HA 0.529 5.056 4.527 0.000 0.000 0.314 390 F C -2.182 173.424 175.800 -0.323 0.000 1.160 390 F CA -1.116 56.692 58.000 -0.319 0.000 0.920 390 F CB 1.060 39.755 39.000 -0.509 0.000 1.323 390 F HN 0.260 nan 8.300 nan 0.000 0.457 391 V N 1.702 121.567 119.914 -0.082 0.000 2.604 391 V HA 0.944 5.064 4.120 0.000 0.000 0.305 391 V C -0.950 175.158 176.094 0.023 0.000 1.043 391 V CA -0.122 62.111 62.300 -0.112 0.000 0.888 391 V CB 1.268 32.992 31.823 -0.164 0.000 0.995 391 V HN 1.517 nan 8.190 nan 0.000 0.429 392 A N 5.147 128.007 122.820 0.066 0.000 2.435 392 A HA 0.942 5.262 4.320 0.000 0.000 0.304 392 A C -0.801 176.778 177.584 -0.009 0.000 1.064 392 A CA -0.566 51.495 52.037 0.041 0.000 0.727 392 A CB 1.877 21.031 19.000 0.258 0.000 1.284 392 A HN 0.931 nan 8.150 nan 0.000 0.415 393 E N 0.059 120.181 120.200 -0.130 0.000 2.375 393 E HA 0.603 4.953 4.350 0.000 0.000 0.280 393 E C -1.477 175.151 176.600 0.048 0.000 0.972 393 E CA -0.329 56.119 56.400 0.080 0.000 0.782 393 E CB 2.194 32.004 29.700 0.183 0.000 1.229 393 E HN 0.734 nan 8.360 nan 0.000 0.439 394 T N 1.664 116.326 114.554 0.180 0.000 2.816 394 T HA 0.481 4.831 4.350 0.000 0.000 0.299 394 T C -1.908 172.743 174.700 -0.082 0.000 1.230 394 T CA -0.713 61.421 62.100 0.058 0.000 1.007 394 T CB 1.535 70.664 68.868 0.434 0.000 1.289 394 T HN 0.387 nan 8.240 nan 0.000 0.508 395 K N 2.421 122.606 120.400 -0.359 0.000 2.507 395 K HA 0.725 5.045 4.320 0.000 0.000 0.252 395 K C -2.007 174.483 176.600 -0.183 0.000 0.943 395 K CA -0.691 55.299 56.287 -0.494 0.000 0.808 395 K CB 1.887 33.800 32.500 -0.979 0.000 1.142 395 K HN 0.423 nan 8.250 nan 0.000 0.426 396 V N 2.595 122.472 119.914 -0.062 0.000 2.760 396 V HA 0.461 4.581 4.120 0.000 0.000 0.309 396 V C -1.420 174.692 176.094 0.030 0.000 1.077 396 V CA -0.412 61.821 62.300 -0.112 0.000 0.910 396 V CB 2.106 33.612 31.823 -0.528 0.000 1.008 396 V HN 0.850 nan 8.190 nan 0.000 0.424 397 S N 6.540 122.215 115.700 -0.042 0.000 2.429 397 S HA 0.798 5.268 4.470 0.000 0.000 0.302 397 S C -1.265 173.298 174.600 -0.061 0.000 1.115 397 S CA -0.343 57.746 58.200 -0.185 0.000 1.095 397 S CB 0.542 63.509 63.200 -0.388 0.000 0.987 397 S HN 0.869 nan 8.310 nan 0.000 0.474 398 F N 4.874 124.680 119.950 -0.241 0.000 2.622 398 F HA 0.513 5.041 4.527 0.000 0.000 0.318 398 F C -1.063 174.628 175.800 -0.183 0.000 1.135 398 F CA -0.764 57.099 58.000 -0.228 0.000 1.015 398 F CB 1.391 40.282 39.000 -0.182 0.000 1.275 398 F HN 0.527 nan 8.300 nan 0.000 0.457 399 R N 6.152 126.227 120.500 -0.708 0.000 2.443 399 R HA 0.330 4.670 4.340 0.000 0.000 0.287 399 R C -2.900 172.896 176.300 -0.841 0.000 1.425 399 R CA -1.658 54.071 56.100 -0.618 0.000 1.300 399 R CB 1.175 31.248 30.300 -0.379 0.000 1.129 399 R HN 0.322 nan 8.270 nan 0.000 0.577 400 P HA 0.079 nan 4.420 nan 0.000 0.275 400 P C 0.622 177.660 177.300 -0.437 0.000 1.227 400 P CA 0.000 62.681 63.100 -0.698 0.000 0.781 400 P CB 1.022 32.483 31.700 -0.398 0.000 0.906 401 T N -1.935 112.297 114.554 -0.537 0.000 3.054 401 T HA 0.225 4.575 4.350 0.000 0.000 0.255 401 T C 0.426 174.338 174.700 -1.313 0.000 1.035 401 T CA -0.052 61.558 62.100 -0.816 0.000 0.941 401 T CB -0.228 68.309 68.868 -0.552 0.000 1.026 401 T HN 0.578 nan 8.240 nan 0.000 0.533 402 T N 0.243 114.277 114.554 -0.868 0.000 2.830 402 T HA 0.427 4.777 4.350 0.000 0.000 0.322 402 T C -0.294 174.326 174.700 -0.133 0.000 1.501 402 T CA -0.745 60.914 62.100 -0.734 0.000 1.036 402 T CB 0.513 68.935 68.868 -0.743 0.000 1.379 402 T HN 0.075 nan 8.240 nan 0.000 0.493 403 F N 1.218 121.341 119.950 0.289 0.000 2.546 403 F HA 0.208 4.735 4.527 0.000 0.000 0.298 403 F C 2.040 177.935 175.800 0.158 0.000 1.120 403 F CA 0.371 58.528 58.000 0.261 0.000 1.456 403 F CB -0.796 38.345 39.000 0.235 0.000 1.088 403 F HN 0.552 nan 8.300 nan 0.000 0.572 404 Q N 0.547 120.303 119.800 -0.073 0.000 2.488 404 Q HA -0.001 4.339 4.340 0.000 0.000 0.211 404 Q C 0.054 176.099 176.000 0.076 0.000 0.967 404 Q CA 0.633 56.453 55.803 0.028 0.000 0.926 404 Q CB -0.123 28.545 28.738 -0.117 0.000 0.992 404 Q HN 0.604 nan 8.270 nan 0.000 0.506 405 Q N 0.394 120.257 119.800 0.105 0.000 2.316 405 Q HA 0.374 4.715 4.340 0.000 0.000 0.264 405 Q C -0.872 175.346 176.000 0.364 0.000 0.987 405 Q CA -0.481 55.453 55.803 0.220 0.000 0.852 405 Q CB 2.158 31.001 28.738 0.175 0.000 1.287 405 Q HN 0.056 nan 8.270 nan 0.000 0.448 406 S N 0.372 116.275 115.700 0.338 0.000 2.579 406 S HA 0.939 5.409 4.470 0.000 0.000 0.272 406 S C -1.452 173.058 174.600 -0.151 0.000 1.141 406 S CA -0.818 57.535 58.200 0.254 0.000 0.843 406 S CB 2.090 65.388 63.200 0.164 0.000 1.122 406 S HN 0.691 nan 8.310 nan 0.000 0.468 407 A N 0.252 122.922 122.820 -0.250 0.000 2.517 407 A HA 0.981 5.301 4.320 0.000 0.000 0.297 407 A C -0.057 177.531 177.584 0.006 0.000 1.050 407 A CA -0.187 51.649 52.037 -0.336 0.000 0.694 407 A CB 1.037 19.412 19.000 -1.042 0.000 1.277 407 A HN 2.141 nan 8.150 nan 0.000 0.400 408 G N -0.315 108.597 108.800 0.187 0.000 2.488 408 G HA2 0.612 4.572 3.960 0.000 0.000 0.301 408 G HA3 0.612 4.572 3.960 0.000 0.000 0.301 408 G C -2.065 173.041 174.900 0.344 0.000 1.339 408 G CA -0.535 44.713 45.100 0.246 0.000 0.803 408 G HN 1.506 nan 8.290 nan 0.000 0.482 409 L N 0.533 121.966 121.223 0.350 0.000 2.289 409 L HA 0.793 5.133 4.340 0.000 0.000 0.285 409 L C -0.483 176.642 176.870 0.426 0.000 1.049 409 L CA -0.601 54.511 54.840 0.452 0.000 0.804 409 L CB 1.520 43.891 42.059 0.520 0.000 1.195 409 L HN 0.383 nan 8.230 nan 0.000 0.428 410 V N 4.862 125.067 119.914 0.485 0.000 2.638 410 V HA 0.522 4.643 4.120 0.000 0.000 0.306 410 V C -0.577 175.876 176.094 0.598 0.000 1.052 410 V CA -0.882 61.679 62.300 0.435 0.000 0.885 410 V CB 1.916 33.852 31.823 0.188 0.000 0.999 410 V HN 0.764 nan 8.190 nan 0.000 0.424 411 N N 3.163 122.219 118.700 0.594 0.000 2.417 411 N HA 0.489 5.229 4.740 0.000 0.000 0.274 411 N C -1.668 174.169 175.510 0.544 0.000 0.987 411 N CA -0.297 53.102 53.050 0.582 0.000 0.912 411 N CB 2.493 41.262 38.487 0.471 0.000 1.177 411 N HN 0.806 nan 8.380 nan 0.000 0.490 412 Y N 2.156 122.680 120.300 0.373 0.000 2.421 412 Y HA 0.177 4.727 4.550 0.000 0.000 0.339 412 Y C -0.648 175.438 175.900 0.310 0.000 0.996 412 Y CA -0.639 57.704 58.100 0.406 0.000 1.046 412 Y CB 1.257 40.034 38.460 0.528 0.000 1.226 412 Y HN 0.525 nan 8.280 nan 0.000 0.445 413 Y N 4.279 124.500 120.300 -0.131 0.000 2.333 413 Y HA 0.255 4.805 4.550 0.000 0.000 0.287 413 Y C -0.058 175.691 175.900 -0.251 0.000 1.149 413 Y CA 1.063 59.089 58.100 -0.124 0.000 1.193 413 Y CB 0.435 38.799 38.460 -0.161 0.000 1.175 413 Y HN 0.748 nan 8.280 nan 0.000 0.518 414 N N -2.360 116.117 118.700 -0.371 0.000 3.204 414 N HA 0.103 4.844 4.740 0.000 0.000 0.285 414 N C 0.363 175.614 175.510 -0.431 0.000 1.536 414 N CA 0.169 52.989 53.050 -0.383 0.000 0.832 414 N CB 0.385 38.829 38.487 -0.073 0.000 1.645 414 N HN 0.061 nan 8.380 nan 0.000 0.586 415 T N -3.052 111.469 114.554 -0.055 0.000 2.946 415 T HA -0.159 4.191 4.350 0.000 0.000 0.271 415 T C 0.800 175.647 174.700 0.245 0.000 1.104 415 T CA 1.431 63.631 62.100 0.166 0.000 1.114 415 T CB -0.356 68.594 68.868 0.138 0.000 0.867 415 T HN 0.616 nan 8.240 nan 0.000 0.513 416 Q N 0.313 120.130 119.800 0.029 0.000 2.189 416 Q HA 0.279 4.619 4.340 0.000 0.000 0.223 416 Q C -0.446 175.368 176.000 -0.311 0.000 0.828 416 Q CA -0.187 55.559 55.803 -0.095 0.000 0.967 416 Q CB 0.683 29.363 28.738 -0.097 0.000 1.139 416 Q HN 0.474 nan 8.270 nan 0.000 0.497 417 N N 1.198 119.723 118.700 -0.292 0.000 2.558 417 N HA 0.244 4.984 4.740 0.000 0.000 0.285 417 N C -1.563 173.853 175.510 -0.157 0.000 1.112 417 N CA -0.181 52.681 53.050 -0.313 0.000 0.857 417 N CB 1.633 39.986 38.487 -0.223 0.000 1.376 417 N HN 0.167 nan 8.380 nan 0.000 0.526 418 W N 0.141 121.385 121.300 -0.093 0.000 3.079 418 W HA 0.352 5.013 4.660 0.000 0.000 0.329 418 W C -1.447 175.106 176.519 0.056 0.000 1.181 418 W CA -0.853 56.482 57.345 -0.016 0.000 1.160 418 W CB 0.315 29.759 29.460 -0.026 0.000 1.423 418 W HN 0.264 nan 8.180 nan 0.000 0.566 419 T N -0.636 114.250 114.554 0.552 0.000 2.901 419 T HA 0.764 5.114 4.350 0.000 0.000 0.293 419 T C -1.143 173.825 174.700 0.445 0.000 1.084 419 T CA -0.654 61.698 62.100 0.419 0.000 1.008 419 T CB 2.549 71.499 68.868 0.137 0.000 1.170 419 T HN 0.776 nan 8.240 nan 0.000 0.509 420 T N 0.888 115.549 114.554 0.178 0.000 3.012 420 T HA 0.503 4.854 4.350 0.000 0.000 0.330 420 T C -2.142 172.357 174.700 -0.334 0.000 1.321 420 T CA -0.694 61.404 62.100 -0.003 0.000 1.067 420 T CB 1.444 70.335 68.868 0.038 0.000 1.235 420 T HN 0.855 nan 8.240 nan 0.000 0.479 421 L N 5.893 126.828 121.223 -0.480 0.000 2.262 421 L HA 0.691 5.031 4.340 0.000 0.000 0.288 421 L C -0.309 176.556 176.870 -0.008 0.000 1.035 421 L CA 0.134 54.793 54.840 -0.302 0.000 0.820 421 L CB 0.765 42.642 42.059 -0.302 0.000 1.204 421 L HN 0.782 nan 8.230 nan 0.000 0.424 422 Q N 4.404 124.222 119.800 0.031 0.000 2.423 422 Q HA 0.642 4.983 4.340 0.000 0.000 0.278 422 Q C -1.385 174.693 176.000 0.129 0.000 1.097 422 Q CA -0.942 54.915 55.803 0.091 0.000 0.809 422 Q CB 2.142 30.922 28.738 0.070 0.000 1.391 422 Q HN 0.622 nan 8.270 nan 0.000 0.428 423 I N 1.860 122.539 120.570 0.182 0.000 2.331 423 I HA 0.418 4.588 4.170 0.000 0.000 0.292 423 I C 0.082 176.405 176.117 0.344 0.000 0.998 423 I CA -0.204 61.249 61.300 0.254 0.000 1.267 423 I CB 1.667 39.876 38.000 0.347 0.000 1.386 423 I HN 0.808 nan 8.210 nan 0.000 0.476 424 T N 4.400 119.120 114.554 0.277 0.000 2.591 424 T HA 0.484 4.835 4.350 0.000 0.000 0.274 424 T C -2.118 172.765 174.700 0.305 0.000 0.945 424 T CA -0.514 61.777 62.100 0.319 0.000 1.087 424 T CB 1.225 70.275 68.868 0.303 0.000 1.416 424 T HN 0.556 nan 8.240 nan 0.000 0.514 425 W N 1.199 122.575 121.300 0.126 0.000 2.844 425 W HA 0.685 5.345 4.660 0.000 0.000 0.340 425 W C -1.416 175.233 176.519 0.217 0.000 1.093 425 W CA -0.522 56.883 57.345 0.101 0.000 1.212 425 W CB 1.198 30.657 29.460 -0.002 0.000 1.422 425 W HN 0.684 nan 8.180 nan 0.000 0.515 426 H N 3.255 121.911 119.070 -0.690 0.000 2.806 426 H HA 0.197 4.753 4.556 0.000 0.000 0.367 426 H C 0.324 174.901 175.328 -1.253 0.000 1.136 426 H CA -0.266 55.404 56.048 -0.629 0.000 1.178 426 H CB 2.305 31.871 29.762 -0.327 0.000 1.718 426 H HN 0.639 nan 8.280 nan 0.000 0.540 427 E N 2.358 121.898 120.200 -1.099 0.000 2.097 427 E HA -0.234 4.117 4.350 0.000 0.000 0.196 427 E C 1.485 177.875 176.600 -0.351 0.000 1.000 427 E CA 2.063 58.057 56.400 -0.678 0.000 0.804 427 E CB 0.377 29.916 29.700 -0.269 0.000 0.740 427 E HN 0.642 nan 8.360 nan 0.000 0.454 428 E N 0.552 120.695 120.200 -0.096 0.000 2.079 428 E HA 0.001 4.351 4.350 0.000 0.000 0.191 428 E C 1.282 177.857 176.600 -0.041 0.000 0.961 428 E CA 0.961 57.368 56.400 0.012 0.000 0.823 428 E CB 0.159 29.924 29.700 0.109 0.000 0.789 428 E HN 0.010 nan 8.360 nan 0.000 0.459 429 K N 0.188 120.582 120.400 -0.010 0.000 2.418 429 K HA 0.188 4.508 4.320 0.000 0.000 0.195 429 K C 1.014 177.499 176.600 -0.191 0.000 1.035 429 K CA 0.386 56.587 56.287 -0.145 0.000 1.003 429 K CB 0.263 32.605 32.500 -0.263 0.000 0.793 429 K HN 0.301 nan 8.250 nan 0.000 0.494 430 G N 2.481 111.067 108.800 -0.357 0.000 2.527 430 G HA2 -0.352 3.608 3.960 0.000 0.000 0.268 430 G HA3 -0.352 3.608 3.960 0.000 0.000 0.268 430 G C -0.540 174.143 174.900 -0.362 0.000 1.175 430 G CA -0.070 44.770 45.100 -0.434 0.000 0.962 430 G HN 0.372 nan 8.290 nan 0.000 0.560 431 R N 1.054 121.506 120.500 -0.080 0.000 2.389 431 R HA 0.507 4.847 4.340 0.000 0.000 0.295 431 R C 0.317 176.605 176.300 -0.020 0.000 1.075 431 R CA 0.496 56.607 56.100 0.019 0.000 1.005 431 R CB -0.381 29.932 30.300 0.023 0.000 0.987 431 R HN 0.940 nan 8.270 nan 0.000 0.452 432 I N 0.958 121.545 120.570 0.028 0.000 3.074 432 I HA 0.447 4.617 4.170 0.000 0.000 0.310 432 I C -1.247 174.905 176.117 0.058 0.000 1.153 432 I CA -1.309 60.001 61.300 0.016 0.000 0.993 432 I CB 1.993 39.982 38.000 -0.018 0.000 1.237 432 I HN 0.387 nan 8.210 nan 0.000 0.443 433 L N 2.545 123.781 121.223 0.021 0.000 2.325 433 L HA 0.651 4.992 4.340 0.000 0.000 0.278 433 L C -0.404 176.460 176.870 -0.010 0.000 1.023 433 L CA -0.194 54.650 54.840 0.007 0.000 0.811 433 L CB 1.726 43.724 42.059 -0.101 0.000 1.249 433 L HN 0.862 nan 8.230 nan 0.000 0.431 434 E N 3.179 123.393 120.200 0.023 0.000 2.430 434 E HA 0.559 4.909 4.350 0.000 0.000 0.279 434 E C -1.772 174.849 176.600 0.036 0.000 1.003 434 E CA -0.946 55.475 56.400 0.035 0.000 0.801 434 E CB 1.916 31.654 29.700 0.063 0.000 1.313 434 E HN 0.369 nan 8.360 nan 0.000 0.459 435 L N 1.597 122.857 121.223 0.062 0.000 2.334 435 L HA 0.646 4.986 4.340 0.000 0.000 0.275 435 L C -0.142 176.798 176.870 0.117 0.000 1.036 435 L CA -0.848 54.034 54.840 0.070 0.000 0.807 435 L CB 1.598 43.777 42.059 0.200 0.000 1.231 435 L HN 0.650 nan 8.230 nan 0.000 0.438 436 M N 2.282 121.962 119.600 0.133 0.000 2.322 436 M HA 0.423 4.903 4.480 0.000 0.000 0.286 436 M C -1.118 175.317 176.300 0.225 0.000 1.111 436 M CA -0.267 55.154 55.300 0.201 0.000 0.941 436 M CB 2.353 35.116 32.600 0.271 0.000 1.671 436 M HN 0.686 nan 8.290 nan 0.000 0.470 437 T N 0.761 115.363 114.554 0.081 0.000 2.907 437 T HA 0.722 5.072 4.350 0.000 0.000 0.292 437 T C -1.309 173.090 174.700 -0.503 0.000 1.043 437 T CA -0.712 61.324 62.100 -0.107 0.000 1.003 437 T CB 1.699 70.606 68.868 0.065 0.000 1.084 437 T HN 0.837 nan 8.240 nan 0.000 0.483 438 C N 2.895 121.628 119.300 -0.946 0.000 2.396 438 C HA 0.744 5.204 4.460 0.000 0.000 0.321 438 C C -1.401 173.248 174.990 -0.568 0.000 1.233 438 C CA -0.422 58.015 59.018 -0.968 0.000 1.440 438 C CB 0.466 27.100 27.740 -1.844 0.000 2.110 438 C HN 1.030 nan 8.230 nan 0.000 0.473 439 D N 3.351 123.584 120.400 -0.278 0.000 2.473 439 D HA 0.301 4.941 4.640 0.000 0.000 0.253 439 D C -0.155 176.166 176.300 0.036 0.000 1.233 439 D CA -0.074 53.884 54.000 -0.070 0.000 0.908 439 D CB 0.295 41.129 40.800 0.058 0.000 1.170 439 D HN 0.831 nan 8.370 nan 0.000 0.558 440 H N 3.086 122.081 119.070 -0.126 0.000 2.604 440 H HA -0.222 4.334 4.556 0.000 0.000 0.321 440 H C 1.319 176.590 175.328 -0.094 0.000 1.132 440 H CA 0.723 56.705 56.048 -0.111 0.000 1.129 440 H CB -0.926 28.768 29.762 -0.115 0.000 1.526 440 H HN 0.437 nan 8.280 nan 0.000 0.415 441 L N -2.722 118.457 121.223 -0.075 0.000 4.982 441 L HA -0.245 4.095 4.340 0.000 0.000 0.402 441 L C -0.118 176.721 176.870 -0.053 0.000 0.863 441 L CA 1.580 56.390 54.840 -0.049 0.000 1.876 441 L CB -0.837 41.227 42.059 0.009 0.000 1.554 441 L HN 0.241 nan 8.230 nan 0.000 0.603 442 V N 1.218 121.101 119.914 -0.052 0.000 2.455 442 V HA 0.365 4.485 4.120 0.000 0.000 0.273 442 V C 0.621 176.658 176.094 -0.096 0.000 1.045 442 V CA -0.125 62.148 62.300 -0.046 0.000 0.976 442 V CB 1.283 33.095 31.823 -0.017 0.000 0.993 442 V HN 0.061 nan 8.190 nan 0.000 0.475 443 V N 4.568 124.439 119.914 -0.071 0.000 2.532 443 V HA 0.455 4.575 4.120 0.000 0.000 0.295 443 V C -0.297 175.776 176.094 -0.035 0.000 1.041 443 V CA -0.440 61.808 62.300 -0.086 0.000 0.926 443 V CB 1.972 33.781 31.823 -0.023 0.000 0.992 443 V HN 0.951 nan 8.190 nan 0.000 0.457 444 D N 2.212 122.595 120.400 -0.027 0.000 2.619 444 D HA 0.492 5.133 4.640 0.000 0.000 0.241 444 D C -0.772 175.561 176.300 0.054 0.000 1.087 444 D CA -0.430 53.580 54.000 0.016 0.000 0.851 444 D CB 2.006 42.820 40.800 0.023 0.000 1.474 444 D HN 0.524 nan 8.370 nan 0.000 0.478 445 Q N 3.215 123.050 119.800 0.058 0.000 2.523 445 Q HA 0.278 4.618 4.340 0.000 0.000 0.251 445 Q C -1.848 174.192 176.000 0.067 0.000 1.033 445 Q CA -1.644 54.205 55.803 0.077 0.000 0.746 445 Q CB 1.963 30.743 28.738 0.070 0.000 1.189 445 Q HN 0.268 nan 8.270 nan 0.000 0.508 446 P HA -0.180 nan 4.420 nan 0.000 0.218 446 P C 0.305 177.632 177.300 0.044 0.000 1.146 446 P CA 1.312 64.448 63.100 0.060 0.000 0.813 446 P CB 0.312 32.067 31.700 0.093 0.000 0.778 447 L N -1.157 120.099 121.223 0.055 0.000 2.818 447 L HA 0.186 4.526 4.340 0.000 0.000 0.243 447 L C 1.086 177.966 176.870 0.016 0.000 1.185 447 L CA -0.663 54.198 54.840 0.035 0.000 0.988 447 L CB -0.373 41.710 42.059 0.041 0.000 1.292 447 L HN -0.019 nan 8.230 nan 0.000 0.519 448 R N 0.760 121.273 120.500 0.021 0.000 2.537 448 R HA 0.104 4.444 4.340 0.000 0.000 0.281 448 R C 0.913 177.210 176.300 -0.005 0.000 0.988 448 R CA 0.987 57.094 56.100 0.013 0.000 1.077 448 R CB 0.120 30.432 30.300 0.021 0.000 0.932 448 R HN 0.259 nan 8.270 nan 0.000 0.409 449 G N 3.609 112.396 108.800 -0.022 0.000 2.328 449 G HA2 -0.408 3.552 3.960 0.000 0.000 0.256 449 G HA3 -0.408 3.552 3.960 0.000 0.000 0.256 449 G C 0.518 175.382 174.900 -0.059 0.000 1.014 449 G CA 0.682 45.758 45.100 -0.040 0.000 0.620 449 G HN 0.791 nan 8.290 nan 0.000 0.530 450 R N 0.400 120.873 120.500 -0.045 0.000 2.816 450 R HA 0.583 4.923 4.340 0.000 0.000 0.382 450 R C -0.396 175.878 176.300 -0.043 0.000 1.140 450 R CA -0.483 55.594 56.100 -0.039 0.000 1.050 450 R CB 0.314 30.608 30.300 -0.011 0.000 1.396 450 R HN 0.298 nan 8.270 nan 0.000 0.583 451 E N 1.201 121.351 120.200 -0.083 0.000 2.392 451 E HA 0.109 4.459 4.350 0.000 0.000 0.264 451 E C 0.070 176.625 176.600 -0.075 0.000 1.024 451 E CA -0.244 56.107 56.400 -0.081 0.000 0.903 451 E CB 0.752 30.381 29.700 -0.118 0.000 0.963 451 E HN 0.198 nan 8.360 nan 0.000 0.432 452 I N 3.282 123.810 120.570 -0.069 0.000 2.436 452 I HA 0.010 4.180 4.170 0.000 0.000 0.289 452 I C -0.156 175.960 176.117 -0.001 0.000 1.083 452 I CA -0.208 61.059 61.300 -0.055 0.000 1.372 452 I CB -0.038 37.825 38.000 -0.228 0.000 1.408 452 I HN 0.236 nan 8.210 nan 0.000 0.516 453 V N 8.019 127.948 119.914 0.026 0.000 2.485 453 V HA 0.039 4.159 4.120 0.000 0.000 0.287 453 V C 0.526 176.652 176.094 0.053 0.000 1.022 453 V CA -0.350 61.956 62.300 0.010 0.000 1.067 453 V CB 1.077 32.896 31.823 -0.007 0.000 0.967 453 V HN 0.407 nan 8.190 nan 0.000 0.479 454 V N 8.249 128.128 119.914 -0.059 0.000 2.364 454 V HA 0.294 4.414 4.120 0.000 0.000 0.272 454 V C -1.989 173.933 176.094 -0.287 0.000 1.036 454 V CA -1.721 60.398 62.300 -0.303 0.000 0.880 454 V CB 1.232 32.904 31.823 -0.251 0.000 0.991 454 V HN 0.777 nan 8.190 nan 0.000 0.460 455 P HA 0.113 nan 4.420 nan 0.000 0.269 455 P C 0.545 177.735 177.300 -0.184 0.000 1.209 455 P CA -0.120 62.858 63.100 -0.204 0.000 0.776 455 P CB 0.756 32.354 31.700 -0.169 0.000 0.876 456 D N 0.894 121.227 120.400 -0.111 0.000 2.218 456 D HA -0.180 4.460 4.640 0.000 0.000 0.204 456 D C 1.018 177.264 176.300 -0.090 0.000 0.976 456 D CA 1.152 55.097 54.000 -0.091 0.000 0.853 456 D CB -0.078 40.687 40.800 -0.058 0.000 0.939 456 D HN 0.411 nan 8.370 nan 0.000 0.481 457 D N -0.260 120.090 120.400 -0.082 0.000 2.349 457 D HA -0.086 4.554 4.640 0.000 0.000 0.224 457 D C 0.314 176.575 176.300 -0.064 0.000 1.029 457 D CA -0.063 53.901 54.000 -0.059 0.000 0.879 457 D CB 0.010 40.791 40.800 -0.032 0.000 0.906 457 D HN 0.218 nan 8.370 nan 0.000 0.528 458 I N 2.023 122.525 120.570 -0.113 0.000 2.379 458 I HA 0.061 4.231 4.170 0.000 0.000 0.290 458 I C 1.529 177.587 176.117 -0.099 0.000 1.063 458 I CA -0.070 61.169 61.300 -0.102 0.000 1.351 458 I CB 1.049 38.902 38.000 -0.246 0.000 1.410 458 I HN 0.038 nan 8.210 nan 0.000 0.505 459 E N 5.458 125.617 120.200 -0.069 0.000 2.086 459 E HA -0.068 4.283 4.350 0.000 0.000 0.190 459 E C -0.486 175.909 176.600 -0.342 0.000 0.975 459 E CA 0.941 57.206 56.400 -0.225 0.000 0.813 459 E CB 0.414 29.974 29.700 -0.234 0.000 0.768 459 E HN 0.528 nan 8.360 nan 0.000 0.457 460 Y N -0.386 119.930 120.300 0.027 0.000 2.425 460 Y HA 0.379 4.929 4.550 0.000 0.000 0.344 460 Y C -0.627 175.304 175.900 0.052 0.000 0.969 460 Y CA -0.963 57.119 58.100 -0.031 0.000 1.052 460 Y CB 2.110 40.489 38.460 -0.134 0.000 1.215 460 Y HN -0.276 nan 8.280 nan 0.000 0.451 461 V N 4.011 124.047 119.914 0.204 0.000 2.435 461 V HA 0.352 4.472 4.120 0.000 0.000 0.290 461 V C -0.960 175.253 176.094 0.198 0.000 1.030 461 V CA -1.240 61.258 62.300 0.330 0.000 0.881 461 V CB 0.960 32.985 31.823 0.337 0.000 0.983 461 V HN 0.603 nan 8.190 nan 0.000 0.445 462 Y N 4.930 125.351 120.300 0.203 0.000 2.320 462 Y HA 0.689 5.239 4.550 0.000 0.000 0.334 462 Y C 0.061 176.163 175.900 0.337 0.000 1.055 462 Y CA -0.664 57.548 58.100 0.187 0.000 1.143 462 Y CB 1.321 39.759 38.460 -0.036 0.000 1.193 462 Y HN 0.406 nan 8.280 nan 0.000 0.477 463 L N 4.481 126.038 121.223 0.558 0.000 2.386 463 L HA 0.695 5.036 4.340 0.000 0.000 0.271 463 L C -0.524 176.691 176.870 0.575 0.000 0.993 463 L CA -0.903 54.278 54.840 0.568 0.000 0.819 463 L CB 2.340 44.666 42.059 0.445 0.000 1.294 463 L HN 0.577 nan 8.230 nan 0.000 0.414 464 R N 1.877 122.713 120.500 0.560 0.000 2.673 464 R HA 0.774 5.114 4.340 0.000 0.000 0.281 464 R C -2.096 174.370 176.300 0.277 0.000 0.991 464 R CA -0.547 55.744 56.100 0.319 0.000 0.896 464 R CB 2.890 33.217 30.300 0.046 0.000 1.201 464 R HN 0.448 nan 8.270 nan 0.000 0.457 465 V N 2.886 122.869 119.914 0.115 0.000 2.604 465 V HA 0.582 4.702 4.120 0.000 0.000 0.305 465 V C -1.131 174.857 176.094 -0.176 0.000 1.043 465 V CA -0.212 62.038 62.300 -0.083 0.000 0.888 465 V CB 2.356 34.041 31.823 -0.230 0.000 0.995 465 V HN 0.884 nan 8.190 nan 0.000 0.429 466 T N 5.910 120.342 114.554 -0.204 0.000 2.864 466 T HA 0.459 4.809 4.350 0.000 0.000 0.310 466 T C -0.621 173.887 174.700 -0.320 0.000 1.040 466 T CA -0.240 61.701 62.100 -0.264 0.000 0.977 466 T CB 1.118 69.893 68.868 -0.156 0.000 0.976 466 T HN 0.484 nan 8.240 nan 0.000 0.459 467 V N 4.998 124.507 119.914 -0.675 0.000 2.407 467 V HA 0.353 4.473 4.120 0.000 0.000 0.278 467 V C 0.129 175.982 176.094 -0.401 0.000 1.037 467 V CA -0.606 61.285 62.300 -0.682 0.000 0.900 467 V CB 1.230 32.121 31.823 -1.552 0.000 0.983 467 V HN 0.793 nan 8.190 nan 0.000 0.459 468 Q N 4.284 123.990 119.800 -0.155 0.000 2.907 468 Q HA 0.583 4.923 4.340 0.000 0.000 0.262 468 Q C 0.727 176.672 176.000 -0.092 0.000 0.997 468 Q CA 0.140 55.914 55.803 -0.049 0.000 0.797 468 Q CB 1.529 30.302 28.738 0.059 0.000 1.228 468 Q HN 0.970 nan 8.270 nan 0.000 0.466 469 A N 1.783 124.430 122.820 -0.289 0.000 5.078 469 A HA -0.415 3.905 4.320 0.000 0.000 0.342 469 A C 1.794 179.447 177.584 0.114 0.000 1.749 469 A CA 2.843 54.808 52.037 -0.120 0.000 0.700 469 A CB -2.252 16.622 19.000 -0.210 0.000 1.446 469 A HN 0.793 nan 8.150 nan 0.000 0.395 470 T N -1.872 112.735 114.554 0.088 0.000 3.023 470 T HA 0.354 4.704 4.350 0.000 0.000 0.266 470 T C 0.912 175.716 174.700 0.173 0.000 1.093 470 T CA 2.171 64.355 62.100 0.139 0.000 1.129 470 T CB -0.882 68.032 68.868 0.076 0.000 0.899 470 T HN 2.236 nan 8.240 nan 0.000 0.491 471 T N -0.397 114.244 114.554 0.145 0.000 2.887 471 T HA 0.679 5.029 4.350 0.000 0.000 0.292 471 T C -1.239 173.583 174.700 0.204 0.000 1.087 471 T CA -1.119 61.057 62.100 0.128 0.000 1.009 471 T CB 2.108 70.998 68.868 0.036 0.000 1.203 471 T HN 0.572 nan 8.240 nan 0.000 0.518 472 Y N -1.756 118.592 120.300 0.080 0.000 2.624 472 Y HA 0.815 5.365 4.550 0.000 0.000 0.334 472 Y C -1.446 174.509 175.900 0.093 0.000 1.155 472 Y CA -1.287 56.813 58.100 0.001 0.000 1.046 472 Y CB 1.541 39.949 38.460 -0.086 0.000 1.316 472 Y HN 0.807 nan 8.280 nan 0.000 0.457 473 K N 1.947 122.436 120.400 0.148 0.000 2.422 473 K HA 0.451 4.771 4.320 0.000 0.000 0.251 473 K C -1.888 174.802 176.600 0.150 0.000 0.933 473 K CA -0.959 55.435 56.287 0.179 0.000 0.798 473 K CB 2.226 34.799 32.500 0.122 0.000 1.238 473 K HN 0.725 nan 8.250 nan 0.000 0.428 474 Y N 0.440 120.951 120.300 0.352 0.000 2.335 474 Y HA 0.263 4.813 4.550 0.000 0.000 0.323 474 Y C 0.704 176.781 175.900 0.295 0.000 1.224 474 Y CA 0.064 58.353 58.100 0.315 0.000 1.241 474 Y CB 1.731 40.391 38.460 0.332 0.000 1.235 474 Y HN 0.563 nan 8.280 nan 0.000 0.492 475 S N 1.212 117.211 115.700 0.498 0.000 2.618 475 S HA 0.768 5.238 4.470 0.000 0.000 0.277 475 S C -1.586 173.413 174.600 0.665 0.000 1.138 475 S CA -0.993 57.499 58.200 0.487 0.000 0.844 475 S CB 1.883 65.289 63.200 0.344 0.000 1.127 475 S HN 0.666 nan 8.310 nan 0.000 0.474 476 Y N -1.346 119.205 120.300 0.418 0.000 2.638 476 Y HA 0.890 5.440 4.550 0.000 0.000 0.339 476 Y C -0.667 175.135 175.900 -0.163 0.000 1.084 476 Y CA -0.842 57.399 58.100 0.236 0.000 1.068 476 Y CB 1.463 39.978 38.460 0.093 0.000 1.294 476 Y HN 0.944 nan 8.280 nan 0.000 0.480 477 S N 0.763 116.200 115.700 -0.439 0.000 2.533 477 S HA 0.516 4.986 4.470 0.000 0.000 0.271 477 S C -1.253 173.258 174.600 -0.149 0.000 1.143 477 S CA -0.622 57.087 58.200 -0.818 0.000 0.891 477 S CB 0.670 62.770 63.200 -1.833 0.000 1.105 477 S HN 0.613 nan 8.310 nan 0.000 0.468 478 F N 2.094 121.999 119.950 -0.075 0.000 2.746 478 F HA 0.254 4.781 4.527 0.000 0.000 0.297 478 F C 1.616 177.476 175.800 0.099 0.000 1.113 478 F CA 0.117 58.181 58.000 0.107 0.000 1.367 478 F CB 0.127 39.190 39.000 0.106 0.000 1.111 478 F HN 0.723 nan 8.300 nan 0.000 0.590 479 D N -2.763 117.639 120.400 0.002 0.000 2.514 479 D HA 0.244 4.884 4.640 0.000 0.000 0.225 479 D C 1.780 177.819 176.300 -0.434 0.000 1.159 479 D CA 0.795 54.757 54.000 -0.065 0.000 0.823 479 D CB 0.046 40.821 40.800 -0.042 0.000 1.097 479 D HN 0.177 nan 8.370 nan 0.000 0.519 480 G N 0.464 108.568 108.800 -1.160 0.000 2.176 480 G HA2 -0.350 3.610 3.960 0.000 0.000 0.253 480 G HA3 -0.350 3.610 3.960 0.000 0.000 0.253 480 G C 0.878 175.468 174.900 -0.517 0.000 0.979 480 G CA 0.776 45.028 45.100 -1.413 0.000 0.641 480 G HN 0.376 nan 8.290 nan 0.000 0.530 481 M N -0.768 118.575 119.600 -0.428 0.000 2.879 481 M HA 0.268 4.748 4.480 0.000 0.000 0.241 481 M C 0.403 176.637 176.300 -0.110 0.000 1.523 481 M CA 0.201 55.419 55.300 -0.138 0.000 1.195 481 M CB 0.261 32.807 32.600 -0.089 0.000 1.277 481 M HN 0.032 nan 8.290 nan 0.000 0.557 482 N N 0.622 119.156 118.700 -0.277 0.000 2.426 482 N HA 0.225 4.965 4.740 0.000 0.000 0.257 482 N C -1.787 173.471 175.510 -0.420 0.000 1.002 482 N CA 0.009 52.932 53.050 -0.212 0.000 0.942 482 N CB 0.916 39.301 38.487 -0.169 0.000 1.112 482 N HN 0.120 nan 8.380 nan 0.000 0.499 483 W N 2.225 123.410 121.300 -0.192 0.000 2.570 483 W HA 0.578 5.238 4.660 0.000 0.000 0.337 483 W C 0.207 176.550 176.519 -0.293 0.000 1.067 483 W CA -0.519 56.682 57.345 -0.239 0.000 1.229 483 W CB 1.154 30.535 29.460 -0.131 0.000 1.355 483 W HN 0.200 nan 8.180 nan 0.000 0.555 484 I N 2.736 123.168 120.570 -0.230 0.000 2.447 484 I HA 0.145 4.315 4.170 0.000 0.000 0.287 484 I C -0.785 175.318 176.117 -0.022 0.000 1.023 484 I CA -0.940 60.211 61.300 -0.248 0.000 1.083 484 I CB 1.510 39.178 38.000 -0.553 0.000 1.245 484 I HN 0.204 nan 8.210 nan 0.000 0.434 485 D N 6.279 126.727 120.400 0.080 0.000 2.350 485 D HA 0.348 4.988 4.640 0.000 0.000 0.249 485 D C -0.282 176.142 176.300 0.207 0.000 1.119 485 D CA 0.084 54.179 54.000 0.159 0.000 0.886 485 D CB 1.049 41.915 40.800 0.111 0.000 1.195 485 D HN 0.262 nan 8.370 nan 0.000 0.437 486 L N 4.405 125.798 121.223 0.283 0.000 2.331 486 L HA 0.255 4.595 4.340 0.000 0.000 0.278 486 L C -1.528 175.450 176.870 0.180 0.000 1.106 486 L CA -1.545 53.453 54.840 0.264 0.000 0.824 486 L CB 0.853 43.108 42.059 0.326 0.000 1.142 486 L HN 0.277 nan 8.230 nan 0.000 0.443 487 P HA 0.076 nan 4.420 nan 0.000 0.237 487 P C -0.765 176.532 177.300 -0.006 0.000 1.723 487 P CA 0.178 63.309 63.100 0.051 0.000 0.882 487 P CB -0.081 31.643 31.700 0.040 0.000 1.810 488 V N -0.158 119.743 119.914 -0.021 0.000 2.623 488 V HA 0.288 4.408 4.120 0.000 0.000 0.304 488 V C 0.104 176.007 176.094 -0.318 0.000 1.054 488 V CA -0.400 61.765 62.300 -0.224 0.000 0.882 488 V CB 2.272 33.894 31.823 -0.335 0.000 1.002 488 V HN 0.009 nan 8.190 nan 0.000 0.424 489 T N 5.206 119.533 114.554 -0.378 0.000 2.767 489 T HA 0.688 5.038 4.350 0.000 0.000 0.284 489 T C -0.534 173.836 174.700 -0.550 0.000 0.973 489 T CA -0.046 61.864 62.100 -0.317 0.000 0.996 489 T CB 0.487 69.257 68.868 -0.164 0.000 0.927 489 T HN 0.287 nan 8.240 nan 0.000 0.456 490 F N 1.378 121.108 119.950 -0.367 0.000 2.440 490 F HA 0.451 4.978 4.527 0.000 0.000 0.328 490 F C 0.989 176.508 175.800 -0.468 0.000 1.070 490 F CA -1.100 56.582 58.000 -0.531 0.000 1.011 490 F CB 1.188 39.590 39.000 -0.996 0.000 1.226 490 F HN 0.458 nan 8.300 nan 0.000 0.491 491 E N 0.141 120.291 120.200 -0.084 0.000 2.158 491 E HA 0.263 4.614 4.350 0.000 0.000 0.271 491 E C -0.048 176.637 176.600 0.142 0.000 0.911 491 E CA -0.364 56.056 56.400 0.033 0.000 0.767 491 E CB 1.610 31.329 29.700 0.032 0.000 1.120 491 E HN 0.541 nan 8.360 nan 0.000 0.405 492 S N 1.571 117.481 115.700 0.350 0.000 2.447 492 S HA -0.178 4.292 4.470 0.000 0.000 0.233 492 S C 1.689 176.389 174.600 0.167 0.000 1.006 492 S CA 0.764 59.227 58.200 0.439 0.000 0.957 492 S CB -0.305 63.252 63.200 0.594 0.000 0.773 492 S HN 0.684 nan 8.310 nan 0.000 0.507 493 Y N 1.848 122.135 120.300 -0.021 0.000 2.403 493 Y HA 0.113 4.664 4.550 0.000 0.000 0.291 493 Y C 1.555 177.238 175.900 -0.362 0.000 1.143 493 Y CA 0.799 58.788 58.100 -0.185 0.000 1.257 493 Y CB -0.433 37.738 38.460 -0.482 0.000 0.984 493 Y HN 0.026 nan 8.280 nan 0.000 0.550 494 K N 0.007 119.811 120.400 -0.994 0.000 2.432 494 K HA 0.049 4.369 4.320 0.000 0.000 0.196 494 K C 0.138 176.518 176.600 -0.367 0.000 1.038 494 K CA 0.327 55.970 56.287 -1.074 0.000 0.986 494 K CB 0.075 31.981 32.500 -0.990 0.000 0.782 494 K HN 0.232 nan 8.250 nan 0.000 0.485 495 L N 0.955 122.041 121.223 -0.228 0.000 3.034 495 L HA 0.129 4.469 4.340 0.000 0.000 0.245 495 L C -0.073 176.699 176.870 -0.164 0.000 1.295 495 L CA 0.002 54.743 54.840 -0.164 0.000 1.068 495 L CB -0.078 41.846 42.059 -0.225 0.000 1.426 495 L HN -0.054 nan 8.230 nan 0.000 0.531 496 S N -3.852 111.729 115.700 -0.198 0.000 2.566 496 S HA 0.459 4.929 4.470 0.000 0.000 0.298 496 S C 0.620 175.064 174.600 -0.259 0.000 1.083 496 S CA -0.731 57.432 58.200 -0.062 0.000 0.978 496 S CB 1.948 65.285 63.200 0.228 0.000 1.073 496 S HN 0.090 nan 8.310 nan 0.000 0.491 497 D N 1.732 122.081 120.400 -0.084 0.000 2.133 497 D HA -0.140 4.500 4.640 0.000 0.000 0.192 497 D C 1.034 177.310 176.300 -0.039 0.000 1.001 497 D CA 2.151 56.101 54.000 -0.085 0.000 0.844 497 D CB -0.521 40.313 40.800 0.057 0.000 0.944 497 D HN 0.800 nan 8.370 nan 0.000 0.447 498 D N -1.215 119.259 120.400 0.123 0.000 2.269 498 D HA -0.127 4.513 4.640 0.000 0.000 0.208 498 D C 1.655 178.157 176.300 0.337 0.000 0.963 498 D CA 0.359 54.467 54.000 0.181 0.000 0.864 498 D CB -0.200 40.676 40.800 0.128 0.000 0.936 498 D HN 0.244 nan 8.370 nan 0.000 0.505 499 Y N 1.240 121.726 120.300 0.310 0.000 2.314 499 Y HA 0.017 4.567 4.550 0.000 0.000 0.293 499 Y C 0.360 176.357 175.900 0.163 0.000 1.129 499 Y CA 0.294 58.583 58.100 0.314 0.000 1.201 499 Y CB 0.116 38.670 38.460 0.158 0.000 0.999 499 Y HN -0.181 nan 8.280 nan 0.000 0.541 500 I N 2.592 123.138 120.570 -0.041 0.000 2.598 500 I HA -0.049 4.122 4.170 0.000 0.000 0.284 500 I C 0.909 177.031 176.117 0.009 0.000 1.140 500 I CA 0.118 61.356 61.300 -0.103 0.000 1.420 500 I CB 0.835 38.681 38.000 -0.256 0.000 1.387 500 I HN 0.164 nan 8.210 nan 0.000 0.553 501 K N 3.640 124.152 120.400 0.186 0.000 2.444 501 K HA 0.016 4.337 4.320 0.000 0.000 0.193 501 K C 1.579 178.187 176.600 0.014 0.000 1.024 501 K CA 0.356 56.651 56.287 0.013 0.000 1.077 501 K CB 0.037 32.437 32.500 -0.167 0.000 0.833 501 K HN 0.713 nan 8.250 nan 0.000 0.517 502 S N 0.357 116.064 115.700 0.011 0.000 2.501 502 S HA 0.003 4.473 4.470 0.000 0.000 0.220 502 S C 0.948 175.529 174.600 -0.030 0.000 0.997 502 S CA 0.107 58.304 58.200 -0.006 0.000 0.919 502 S CB 0.138 63.324 63.200 -0.023 0.000 0.778 502 S HN 0.247 nan 8.310 nan 0.000 0.523 503 R N 0.238 120.698 120.500 -0.067 0.000 3.928 503 R HA -0.191 4.149 4.340 0.000 0.000 0.417 503 R C 0.705 176.821 176.300 -0.307 0.000 0.647 503 R CA 1.328 57.371 56.100 -0.096 0.000 1.610 503 R CB -2.340 27.971 30.300 0.018 0.000 2.164 503 R HN 0.602 nan 8.270 nan 0.000 0.406 504 A N 0.666 123.292 122.820 -0.322 0.000 3.026 504 A HA 0.609 4.929 4.320 0.000 0.000 0.272 504 A C 0.226 177.357 177.584 -0.754 0.000 1.782 504 A CA 0.656 52.312 52.037 -0.634 0.000 1.451 504 A CB -0.362 18.526 19.000 -0.187 0.000 1.081 504 A HN 0.461 nan 8.150 nan 0.000 0.611 505 A N 1.052 123.242 122.820 -1.051 0.000 2.763 505 A HA 0.673 4.993 4.320 0.000 0.000 0.325 505 A C -0.535 176.746 177.584 -0.506 0.000 1.209 505 A CA -0.331 51.405 52.037 -0.502 0.000 0.764 505 A CB 0.087 18.934 19.000 -0.255 0.000 1.120 505 A HN 0.487 nan 8.150 nan 0.000 0.463 506 F N 0.805 120.555 119.950 -0.334 0.000 2.735 506 F HA 0.145 4.672 4.527 0.000 0.000 0.308 506 F C 1.717 177.040 175.800 -0.795 0.000 1.112 506 F CA 0.449 58.048 58.000 -0.668 0.000 1.235 506 F CB 0.092 38.356 39.000 -1.228 0.000 1.027 506 F HN 0.529 nan 8.300 nan 0.000 0.528 507 T N -2.428 111.822 114.554 -0.507 0.000 2.947 507 T HA 0.805 5.155 4.350 0.000 0.000 0.180 507 T C 0.825 175.145 174.700 -0.634 0.000 0.750 507 T CA 0.177 61.690 62.100 -0.978 0.000 1.687 507 T CB 0.405 68.562 68.868 -1.184 0.000 2.488 507 T HN 0.222 nan 8.240 nan 0.000 0.417 508 G N 0.044 108.454 108.800 -0.651 0.000 2.350 508 G HA2 0.538 4.498 3.960 0.000 0.000 0.304 508 G HA3 0.538 4.498 3.960 0.000 0.000 0.304 508 G C -1.089 173.703 174.900 -0.180 0.000 1.421 508 G CA -0.512 44.484 45.100 -0.172 0.000 0.934 508 G HN 0.910 nan 8.290 nan 0.000 0.632 509 A N -0.313 122.418 122.820 -0.149 0.000 2.425 509 A HA 0.791 5.111 4.320 0.000 0.000 0.249 509 A C -0.631 176.817 177.584 -0.225 0.000 1.084 509 A CA 0.190 52.010 52.037 -0.362 0.000 0.781 509 A CB 0.097 18.316 19.000 -1.301 0.000 1.019 509 A HN 0.892 nan 8.150 nan 0.000 0.490 510 F N 0.462 120.321 119.950 -0.153 0.000 2.579 510 F HA 0.604 5.131 4.527 0.000 0.000 0.324 510 F C 0.112 176.130 175.800 0.363 0.000 1.058 510 F CA -0.717 57.296 58.000 0.023 0.000 0.944 510 F CB 2.384 41.279 39.000 -0.176 0.000 1.245 510 F HN 0.453 nan 8.300 nan 0.000 0.477 511 V N 1.508 121.749 119.914 0.545 0.000 2.656 511 V HA 0.976 5.096 4.120 0.000 0.000 0.307 511 V C -0.624 175.752 176.094 0.469 0.000 1.051 511 V CA 0.089 62.770 62.300 0.634 0.000 0.893 511 V CB 1.344 33.587 31.823 0.700 0.000 0.999 511 V HN 0.925 nan 8.190 nan 0.000 0.426 512 G N 5.101 114.214 108.800 0.521 0.000 2.490 512 G HA2 0.510 4.470 3.960 0.000 0.000 0.308 512 G HA3 0.510 4.470 3.960 0.000 0.000 0.308 512 G C -1.760 173.361 174.900 0.370 0.000 1.286 512 G CA -0.943 44.297 45.100 0.234 0.000 0.825 512 G HN 0.722 nan 8.290 nan 0.000 0.479 513 M N 1.225 120.855 119.600 0.050 0.000 2.294 513 M HA 0.475 4.955 4.480 0.000 0.000 0.335 513 M C -0.866 175.467 176.300 0.054 0.000 1.079 513 M CA -0.754 54.459 55.300 -0.146 0.000 0.982 513 M CB 2.246 34.251 32.600 -0.991 0.000 1.651 513 M HN 0.610 nan 8.290 nan 0.000 0.437 514 H N 1.425 120.521 119.070 0.044 0.000 2.717 514 H HA 0.586 5.142 4.556 0.000 0.000 0.366 514 H C -1.909 173.428 175.328 0.016 0.000 1.132 514 H CA -0.624 55.431 56.048 0.012 0.000 1.180 514 H CB 2.265 31.883 29.762 -0.240 0.000 1.678 514 H HN 0.883 nan 8.280 nan 0.000 0.537 515 C N 5.747 124.883 119.300 -0.273 0.000 2.535 515 C HA 0.586 5.046 4.460 0.000 0.000 0.319 515 C C -0.685 174.184 174.990 -0.201 0.000 1.171 515 C CA -0.641 58.275 59.018 -0.169 0.000 1.394 515 C CB 0.769 28.422 27.740 -0.144 0.000 1.990 515 C HN 0.998 nan 8.230 nan 0.000 0.466 516 R N 3.548 124.046 120.500 -0.003 0.000 2.562 516 R HA 0.598 4.938 4.340 0.000 0.000 0.298 516 R C -1.549 174.806 176.300 0.091 0.000 0.961 516 R CA -0.123 56.019 56.100 0.069 0.000 0.881 516 R CB 1.295 31.691 30.300 0.160 0.000 1.159 516 R HN 0.754 nan 8.270 nan 0.000 0.450 517 D N 3.234 123.680 120.400 0.076 0.000 2.408 517 D HA 0.244 4.884 4.640 0.000 0.000 0.261 517 D C 0.491 176.818 176.300 0.044 0.000 1.190 517 D CA -0.406 53.641 54.000 0.077 0.000 0.910 517 D CB 1.430 42.281 40.800 0.084 0.000 1.097 517 D HN 0.806 nan 8.370 nan 0.000 0.522 518 G N 1.420 110.245 108.800 0.043 0.000 2.744 518 G HA2 -0.132 3.828 3.960 0.000 0.000 0.211 518 G HA3 -0.132 3.828 3.960 0.000 0.000 0.211 518 G C 1.263 176.160 174.900 -0.005 0.000 1.143 518 G CA 0.809 45.927 45.100 0.030 0.000 0.788 518 G HN 0.469 nan 8.290 nan 0.000 0.534 519 S N -0.854 114.826 115.700 -0.033 0.000 2.486 519 S HA 0.348 4.818 4.470 0.000 0.000 0.220 519 S C 1.749 176.321 174.600 -0.046 0.000 1.011 519 S CA 1.004 59.165 58.200 -0.065 0.000 0.921 519 S CB -0.014 63.113 63.200 -0.121 0.000 0.785 519 S HN 1.409 nan 8.310 nan 0.000 0.517 520 G N 1.293 110.078 108.800 -0.025 0.000 2.212 520 G HA2 -0.233 3.727 3.960 0.000 0.000 0.255 520 G HA3 -0.233 3.727 3.960 0.000 0.000 0.255 520 G C 0.216 175.104 174.900 -0.020 0.000 1.062 520 G CA 0.319 45.409 45.100 -0.017 0.000 0.815 520 G HN 0.575 nan 8.290 nan 0.000 0.497 521 Q N -0.701 119.088 119.800 -0.019 0.000 2.280 521 Q HA 0.201 4.541 4.340 0.000 0.000 0.201 521 Q C 1.320 177.338 176.000 0.031 0.000 0.890 521 Q CA 0.125 55.917 55.803 -0.019 0.000 0.947 521 Q CB 0.307 29.010 28.738 -0.059 0.000 1.081 521 Q HN 0.490 nan 8.270 nan 0.000 0.502 522 N N 1.495 120.234 118.700 0.066 0.000 2.735 522 N HA -0.189 4.551 4.740 0.000 0.000 0.248 522 N C -0.915 174.771 175.510 0.294 0.000 1.083 522 N CA 0.300 53.444 53.050 0.158 0.000 0.703 522 N CB -0.999 37.539 38.487 0.085 0.000 1.005 522 N HN 0.258 nan 8.380 nan 0.000 0.550 523 N N 0.423 119.229 118.700 0.178 0.000 2.482 523 N HA 0.293 5.033 4.740 0.000 0.000 0.260 523 N C -0.474 175.168 175.510 0.221 0.000 1.236 523 N CA 0.324 53.442 53.050 0.112 0.000 0.938 523 N CB 0.294 38.775 38.487 -0.010 0.000 1.128 523 N HN 0.353 nan 8.380 nan 0.000 0.448 524 Y N -1.008 119.375 120.300 0.138 0.000 2.609 524 Y HA 0.832 5.382 4.550 0.000 0.000 0.342 524 Y C -1.038 174.903 175.900 0.069 0.000 1.058 524 Y CA -1.602 56.477 58.100 -0.034 0.000 1.055 524 Y CB 0.717 38.909 38.460 -0.447 0.000 1.292 524 Y HN 0.469 nan 8.280 nan 0.000 0.476 525 A N 1.100 123.956 122.820 0.061 0.000 2.365 525 A HA 0.625 4.946 4.320 0.000 0.000 0.318 525 A C -1.633 175.914 177.584 -0.061 0.000 1.091 525 A CA -0.792 51.189 52.037 -0.094 0.000 0.763 525 A CB 0.913 19.604 19.000 -0.515 0.000 1.248 525 A HN 0.722 nan 8.150 nan 0.000 0.442 526 D N 1.553 121.894 120.400 -0.098 0.000 2.349 526 D HA 0.473 5.113 4.640 0.000 0.000 0.232 526 D C -1.238 175.066 176.300 0.006 0.000 1.071 526 D CA 0.507 54.526 54.000 0.032 0.000 0.832 526 D CB 0.852 41.680 40.800 0.045 0.000 1.086 526 D HN 0.322 nan 8.370 nan 0.000 0.504 527 F N 1.361 121.437 119.950 0.211 0.000 2.385 527 F HA 0.124 4.651 4.527 0.000 0.000 0.360 527 F C 1.612 177.610 175.800 0.329 0.000 1.122 527 F CA -0.746 57.396 58.000 0.237 0.000 1.090 527 F CB 1.480 40.586 39.000 0.178 0.000 1.150 527 F HN 0.178 nan 8.300 nan 0.000 0.472 528 D N 2.505 123.077 120.400 0.288 0.000 2.137 528 D HA -0.086 4.554 4.640 0.000 0.000 0.202 528 D C -0.303 176.141 176.300 0.240 0.000 0.970 528 D CA 1.565 55.548 54.000 -0.028 0.000 0.837 528 D CB 0.225 40.875 40.800 -0.250 0.000 0.981 528 D HN 0.429 nan 8.370 nan 0.000 0.475 529 Y N -2.884 117.546 120.300 0.217 0.000 2.655 529 Y HA 0.558 5.108 4.550 0.000 0.000 0.336 529 Y C -1.763 174.241 175.900 0.172 0.000 1.154 529 Y CA -1.969 56.115 58.100 -0.027 0.000 1.055 529 Y CB 0.707 39.133 38.460 -0.056 0.000 1.295 529 Y HN -0.186 nan 8.280 nan 0.000 0.465 530 F N 3.406 123.373 119.950 0.028 0.000 2.536 530 F HA 0.655 5.182 4.527 0.000 0.000 0.322 530 F C -1.972 174.028 175.800 0.334 0.000 1.144 530 F CA -1.111 57.056 58.000 0.279 0.000 0.924 530 F CB 1.578 40.818 39.000 0.399 0.000 1.181 530 F HN 0.679 nan 8.300 nan 0.000 0.438 531 L N 8.096 129.238 121.223 -0.135 0.000 2.322 531 L HA 0.542 4.882 4.340 0.000 0.000 0.281 531 L C -2.231 174.553 176.870 -0.144 0.000 1.014 531 L CA -1.050 53.779 54.840 -0.018 0.000 0.815 531 L CB 1.106 43.213 42.059 0.080 0.000 1.247 531 L HN 0.637 nan 8.230 nan 0.000 0.421 532 Y N 4.954 125.238 120.300 -0.026 0.000 2.354 532 Y HA 0.564 5.114 4.550 0.000 0.000 0.330 532 Y C -1.127 174.812 175.900 0.066 0.000 1.011 532 Y CA -0.602 57.497 58.100 -0.000 0.000 1.099 532 Y CB 1.126 39.603 38.460 0.030 0.000 1.179 532 Y HN 0.745 nan 8.280 nan 0.000 0.442 533 K N 6.118 126.244 120.400 -0.457 0.000 2.601 533 K HA 0.199 4.520 4.320 0.000 0.000 0.249 533 K C -1.085 175.267 176.600 -0.412 0.000 0.966 533 K CA -0.607 55.493 56.287 -0.312 0.000 0.827 533 K CB 1.501 33.903 32.500 -0.163 0.000 1.178 533 K HN 0.902 nan 8.250 nan 0.000 0.437 534 E N 4.758 124.704 120.200 -0.422 0.000 2.415 534 E HA 0.055 4.405 4.350 0.000 0.000 0.262 534 E C -0.816 175.658 176.600 -0.210 0.000 1.038 534 E CA 0.041 56.198 56.400 -0.406 0.000 0.921 534 E CB 0.641 29.942 29.700 -0.664 0.000 0.950 534 E HN 0.458 nan 8.360 nan 0.000 0.438 535 L N 0.000 121.156 121.223 -0.112 0.000 2.949 535 L HA 0.000 4.340 4.340 0.000 0.000 0.249 535 L CA 0.000 54.790 54.840 -0.083 0.000 0.813 535 L CB 0.000 42.023 42.059 -0.061 0.000 0.961 535 L HN 0.000 nan 8.230 nan 0.000 0.502