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 2vew_1_A DATA FIRST_RESID 3 DATA SEQUENCE MEKEFEQIDK SGSWAAIYQD IRHEASDFPC RVAKLPKNKN RNRYRDVSPF DATA SEQUENCE DHSRIKLHQE DNDYINASLI KMEEAQRSYI LTQGPLPNTC GHFWEMVWEQ DATA SEQUENCE KSRGVVMLNR VMEKGSLKCA QYWPQKEEKE MIFEDTNLKL TLISEDIKSY DATA SEQUENCE YTVRQLELEN LTTQETREIL HFHYTTWPDF GVPESPASFL NFLFKVRESG DATA SEQUENCE SLSPEHGPVV VHCSAGIGRS GTFCLADTCL LLMDKRKDPS SVDIKKVLLE DATA SEQUENCE MRKFRMGLIQ TADQLRFSYL AVIEGAKFIM GDSSVQDQWK ELSHEDL 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 M HA 0.000 nan 4.480 nan 0.000 0.227 3 M C 0.000 176.442 176.300 0.237 0.000 1.140 3 M CA 0.000 55.395 55.300 0.159 0.000 0.988 3 M CB 0.000 32.662 32.600 0.104 0.000 1.302 4 E N 0.457 120.760 120.200 0.172 0.000 2.427 4 E HA -0.080 4.270 4.350 -0.000 0.000 0.196 4 E C 1.314 178.055 176.600 0.235 0.000 1.028 4 E CA 0.756 57.279 56.400 0.205 0.000 0.864 4 E CB 0.051 29.811 29.700 0.100 0.000 0.813 4 E HN 0.422 nan 8.360 nan 0.000 0.514 5 K N 1.372 121.873 120.400 0.169 0.000 2.044 5 K HA -0.119 4.201 4.320 -0.000 0.000 0.204 5 K C 2.136 178.811 176.600 0.125 0.000 1.049 5 K CA 1.343 57.705 56.287 0.126 0.000 0.945 5 K CB 0.068 32.619 32.500 0.085 0.000 0.724 5 K HN 0.180 nan 8.250 nan 0.000 0.440 6 E N -0.100 120.190 120.200 0.150 0.000 2.077 6 E HA -0.235 4.115 4.350 -0.000 0.000 0.193 6 E C 1.851 178.499 176.600 0.080 0.000 0.989 6 E CA 1.136 57.603 56.400 0.111 0.000 0.800 6 E CB -0.167 29.644 29.700 0.184 0.000 0.746 6 E HN 0.270 nan 8.360 nan 0.000 0.452 7 F N 1.924 121.925 119.950 0.085 0.000 2.069 7 F HA -0.197 4.330 4.527 -0.000 0.000 0.298 7 F C 2.039 177.877 175.800 0.064 0.000 1.113 7 F CA 2.202 60.251 58.000 0.081 0.000 1.214 7 F CB -0.176 38.946 39.000 0.203 0.000 0.978 7 F HN 0.040 nan 8.300 nan 0.000 0.474 8 E N -0.614 119.715 120.200 0.214 0.000 2.118 8 E HA -0.313 4.037 4.350 -0.000 0.000 0.195 8 E C 2.060 178.622 176.600 -0.063 0.000 0.992 8 E CA 1.429 57.881 56.400 0.086 0.000 0.804 8 E CB -0.286 29.502 29.700 0.148 0.000 0.741 8 E HN 0.385 nan 8.360 nan 0.000 0.458 9 Q N 0.655 120.409 119.800 -0.076 0.000 2.245 9 Q HA -0.020 4.320 4.340 -0.000 0.000 0.201 9 Q C 1.766 177.625 176.000 -0.235 0.000 0.955 9 Q CA 0.881 56.612 55.803 -0.120 0.000 0.870 9 Q CB 0.070 28.757 28.738 -0.085 0.000 0.945 9 Q HN 0.322 nan 8.270 nan 0.000 0.461 10 I N 0.026 120.362 120.570 -0.389 0.000 2.286 10 I HA -0.210 3.960 4.170 -0.000 0.000 0.245 10 I C 1.538 177.322 176.117 -0.554 0.000 1.104 10 I CA 1.089 61.980 61.300 -0.681 0.000 1.397 10 I CB -0.250 36.940 38.000 -1.349 0.000 1.072 10 I HN 0.147 nan 8.210 nan 0.000 0.417 11 D N 1.110 121.283 120.400 -0.379 0.000 2.104 11 D HA -0.218 4.422 4.640 -0.000 0.000 0.194 11 D C 2.129 178.363 176.300 -0.111 0.000 0.994 11 D CA 1.328 55.234 54.000 -0.156 0.000 0.830 11 D CB -0.094 40.586 40.800 -0.200 0.000 0.959 11 D HN 0.154 nan 8.370 nan 0.000 0.452 12 K N 0.083 120.414 120.400 -0.116 0.000 2.057 12 K HA -0.061 4.259 4.320 -0.000 0.000 0.207 12 K C 1.988 178.538 176.600 -0.083 0.000 1.049 12 K CA 1.260 57.503 56.287 -0.074 0.000 0.931 12 K CB 0.044 32.509 32.500 -0.059 0.000 0.714 12 K HN -0.058 nan 8.250 nan 0.000 0.440 13 S N -0.491 115.133 115.700 -0.127 0.000 2.453 13 S HA 0.032 4.501 4.470 -0.000 0.000 0.231 13 S C 0.931 175.462 174.600 -0.115 0.000 1.005 13 S CA 0.821 58.947 58.200 -0.123 0.000 0.949 13 S CB 0.111 63.215 63.200 -0.160 0.000 0.774 13 S HN 0.650 nan 8.310 nan 0.000 0.510 14 G N 1.932 110.656 108.800 -0.127 0.000 2.272 14 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.280 14 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.280 14 G C 0.382 175.221 174.900 -0.101 0.000 1.067 14 G CA 0.470 45.529 45.100 -0.068 0.000 0.902 14 G HN 0.769 nan 8.290 nan 0.000 0.500 15 S N -2.197 113.353 115.700 -0.249 0.000 2.574 15 S HA 0.255 4.725 4.470 -0.000 0.000 0.242 15 S C 1.358 175.793 174.600 -0.275 0.000 0.982 15 S CA 0.266 58.323 58.200 -0.239 0.000 0.977 15 S CB -0.212 62.832 63.200 -0.260 0.000 0.814 15 S HN 0.519 nan 8.310 nan 0.000 0.464 16 W N 2.003 123.262 121.300 -0.069 0.000 2.358 16 W HA -0.015 4.645 4.660 -0.000 0.000 0.303 16 W C 2.708 179.256 176.519 0.047 0.000 1.208 16 W CA 1.081 58.400 57.345 -0.043 0.000 1.274 16 W CB -0.401 29.011 29.460 -0.079 0.000 1.138 16 W HN 0.501 nan 8.180 nan 0.000 0.515 17 A N 0.424 123.387 122.820 0.239 0.000 1.858 17 A HA -0.104 4.216 4.320 -0.000 0.000 0.216 17 A C 2.058 179.745 177.584 0.172 0.000 1.190 17 A CA 2.497 54.667 52.037 0.221 0.000 0.617 17 A CB -1.415 17.673 19.000 0.147 0.000 0.827 17 A HN 0.201 nan 8.150 nan 0.000 0.443 18 A N -0.088 122.777 122.820 0.075 0.000 1.908 18 A HA -0.097 4.222 4.320 -0.000 0.000 0.218 18 A C 2.053 179.656 177.584 0.032 0.000 1.181 18 A CA 1.689 53.742 52.037 0.027 0.000 0.627 18 A CB -0.532 18.455 19.000 -0.022 0.000 0.818 18 A HN 0.426 nan 8.150 nan 0.000 0.445 19 I N -1.612 118.974 120.570 0.027 0.000 2.179 19 I HA -0.221 3.949 4.170 -0.000 0.000 0.242 19 I C 2.438 178.648 176.117 0.156 0.000 1.088 19 I CA 1.679 63.003 61.300 0.040 0.000 1.357 19 I CB -1.400 36.572 38.000 -0.047 0.000 1.051 19 I HN 0.571 nan 8.210 nan 0.000 0.409 20 Y N 2.274 122.646 120.300 0.119 0.000 2.224 20 Y HA -0.225 4.325 4.550 -0.000 0.000 0.289 20 Y C 2.638 178.606 175.900 0.113 0.000 1.146 20 Y CA 1.562 59.752 58.100 0.150 0.000 1.182 20 Y CB -0.274 38.293 38.460 0.178 0.000 0.983 20 Y HN 0.200 nan 8.280 nan 0.000 0.524 21 Q N 0.128 119.907 119.800 -0.035 0.000 2.167 21 Q HA -0.149 4.191 4.340 -0.000 0.000 0.202 21 Q C 1.716 177.679 176.000 -0.063 0.000 0.970 21 Q CA 1.468 57.202 55.803 -0.116 0.000 0.855 21 Q CB -0.373 28.357 28.738 -0.013 0.000 0.911 21 Q HN 0.556 nan 8.270 nan 0.000 0.438 22 D N 0.660 121.051 120.400 -0.015 0.000 2.117 22 D HA -0.105 4.535 4.640 -0.000 0.000 0.197 22 D C 2.017 178.337 176.300 0.034 0.000 0.987 22 D CA 0.775 54.787 54.000 0.019 0.000 0.829 22 D CB -0.197 40.615 40.800 0.020 0.000 0.961 22 D HN 0.239 nan 8.370 nan 0.000 0.460 23 I N 0.676 121.247 120.570 0.001 0.000 2.226 23 I HA -0.252 3.918 4.170 -0.000 0.000 0.245 23 I C 2.474 178.562 176.117 -0.049 0.000 1.100 23 I CA 1.070 62.372 61.300 0.003 0.000 1.374 23 I CB -0.128 37.900 38.000 0.047 0.000 1.057 23 I HN -0.070 nan 8.210 nan 0.000 0.413 24 R N -0.571 119.834 120.500 -0.158 0.000 2.096 24 R HA -0.206 4.134 4.340 -0.000 0.000 0.235 24 R C 2.400 178.675 176.300 -0.042 0.000 1.127 24 R CA 1.341 57.358 56.100 -0.138 0.000 0.968 24 R CB -0.648 29.513 30.300 -0.231 0.000 0.861 24 R HN 0.518 nan 8.270 nan 0.000 0.440 25 H N 1.102 120.120 119.070 -0.086 0.000 2.395 25 H HA -0.044 4.512 4.556 -0.000 0.000 0.299 25 H C 1.027 176.326 175.328 -0.049 0.000 1.070 25 H CA 1.313 57.326 56.048 -0.058 0.000 1.356 25 H CB 0.411 30.143 29.762 -0.050 0.000 1.401 25 H HN 0.301 nan 8.280 nan 0.000 0.524 26 E N 0.409 120.597 120.200 -0.021 0.000 2.442 26 E HA 0.164 4.514 4.350 -0.000 0.000 0.195 26 E C 0.675 177.228 176.600 -0.078 0.000 1.030 26 E CA -0.007 56.360 56.400 -0.055 0.000 0.869 26 E CB 0.378 30.092 29.700 0.023 0.000 0.857 26 E HN 0.337 nan 8.360 nan 0.000 0.505 27 A N 1.489 124.271 122.820 -0.063 0.000 2.498 27 A HA 0.110 4.430 4.320 -0.000 0.000 0.239 27 A C 0.438 177.961 177.584 -0.100 0.000 1.068 27 A CA -0.195 51.822 52.037 -0.033 0.000 0.766 27 A CB 0.334 19.343 19.000 0.015 0.000 1.003 27 A HN 0.058 nan 8.150 nan 0.000 0.497 28 S N 0.716 116.354 115.700 -0.105 0.000 2.563 28 S HA 0.226 4.696 4.470 -0.000 0.000 0.284 28 S C -0.107 174.252 174.600 -0.402 0.000 1.331 28 S CA 0.219 58.206 58.200 -0.355 0.000 1.047 28 S CB 0.429 63.432 63.200 -0.328 0.000 0.859 28 S HN 0.730 nan 8.310 nan 0.000 0.514 29 D N 1.060 121.028 120.400 -0.720 0.000 2.469 29 D HA 0.506 5.146 4.640 -0.000 0.000 0.251 29 D C -1.434 174.400 176.300 -0.776 0.000 1.173 29 D CA -0.358 53.355 54.000 -0.477 0.000 0.882 29 D CB 0.224 40.860 40.800 -0.273 0.000 1.129 29 D HN 0.180 nan 8.370 nan 0.000 0.549 30 F N 3.102 122.745 119.950 -0.512 0.000 2.579 30 F HA 0.565 5.092 4.527 -0.000 0.000 0.324 30 F C -1.649 174.095 175.800 -0.095 0.000 1.058 30 F CA -2.004 55.727 58.000 -0.449 0.000 0.944 30 F CB 1.402 39.930 39.000 -0.786 0.000 1.245 30 F HN 0.124 nan 8.300 nan 0.000 0.477 31 P HA 0.105 nan 4.420 nan 0.000 0.272 31 P C -0.665 176.796 177.300 0.268 0.000 1.223 31 P CA -0.170 63.047 63.100 0.194 0.000 0.784 31 P CB 0.877 32.654 31.700 0.129 0.000 0.923 32 C N 2.467 121.896 119.300 0.215 0.000 2.814 32 C HA 0.251 4.711 4.460 -0.000 0.000 0.242 32 C C 2.023 177.069 174.990 0.093 0.000 1.704 32 C CA -0.483 58.649 59.018 0.190 0.000 1.608 32 C CB -1.004 26.849 27.740 0.189 0.000 2.939 32 C HN 0.620 nan 8.230 nan 0.000 0.512 33 R N 0.441 120.987 120.500 0.077 0.000 2.081 33 R HA -0.085 4.255 4.340 -0.000 0.000 0.235 33 R C 1.870 178.159 176.300 -0.019 0.000 1.131 33 R CA 1.281 57.399 56.100 0.029 0.000 0.960 33 R CB -0.439 29.881 30.300 0.034 0.000 0.856 33 R HN 0.459 nan 8.270 nan 0.000 0.436 34 V N 1.581 121.488 119.914 -0.010 0.000 2.343 34 V HA -0.226 3.894 4.120 -0.000 0.000 0.247 34 V C 2.615 178.523 176.094 -0.311 0.000 1.051 34 V CA 1.892 64.143 62.300 -0.082 0.000 1.036 34 V CB -0.798 31.043 31.823 0.030 0.000 0.654 34 V HN 0.388 nan 8.190 nan 0.000 0.451 35 A N -0.592 122.065 122.820 -0.272 0.000 1.940 35 A HA -0.193 4.127 4.320 -0.000 0.000 0.219 35 A C 2.094 179.484 177.584 -0.322 0.000 1.176 35 A CA 1.557 53.314 52.037 -0.467 0.000 0.631 35 A CB -0.318 18.661 19.000 -0.034 0.000 0.814 35 A HN 0.390 nan 8.150 nan 0.000 0.446 36 K N -0.279 120.026 120.400 -0.158 0.000 2.444 36 K HA 0.270 4.590 4.320 -0.000 0.000 0.193 36 K C 0.122 176.664 176.600 -0.097 0.000 1.024 36 K CA -0.085 56.145 56.287 -0.095 0.000 1.077 36 K CB -0.412 32.069 32.500 -0.031 0.000 0.833 36 K HN 0.485 nan 8.250 nan 0.000 0.517 37 L N 1.944 123.083 121.223 -0.139 0.000 2.490 37 L HA 0.008 4.348 4.340 -0.000 0.000 0.274 37 L C -1.152 175.666 176.870 -0.088 0.000 1.201 37 L CA -1.175 53.605 54.840 -0.100 0.000 0.869 37 L CB 0.225 42.220 42.059 -0.108 0.000 1.123 37 L HN -0.122 nan 8.230 nan 0.000 0.484 38 P HA -0.225 nan 4.420 nan 0.000 0.217 38 P C 1.130 178.411 177.300 -0.033 0.000 1.151 38 P CA 1.424 64.503 63.100 -0.034 0.000 0.849 38 P CB 0.078 31.766 31.700 -0.019 0.000 0.787 39 K N -0.902 119.477 120.400 -0.035 0.000 2.442 39 K HA -0.066 4.254 4.320 -0.000 0.000 0.198 39 K C 1.083 177.670 176.600 -0.022 0.000 1.042 39 K CA 1.515 57.791 56.287 -0.019 0.000 0.958 39 K CB -0.719 31.775 32.500 -0.010 0.000 0.766 39 K HN 0.200 nan 8.250 nan 0.000 0.474 40 N N 0.715 119.368 118.700 -0.078 0.000 2.236 40 N HA 0.032 4.772 4.740 -0.000 0.000 0.196 40 N C 1.079 176.560 175.510 -0.049 0.000 1.114 40 N CA -0.237 52.753 53.050 -0.100 0.000 0.859 40 N CB 0.359 38.595 38.487 -0.419 0.000 0.982 40 N HN 0.216 nan 8.380 nan 0.000 0.493 41 K N 1.984 122.364 120.400 -0.033 0.000 2.074 41 K HA -0.168 4.151 4.320 -0.000 0.000 0.209 41 K C 1.259 177.871 176.600 0.021 0.000 1.048 41 K CA 1.654 57.936 56.287 -0.009 0.000 0.926 41 K CB 0.034 32.530 32.500 -0.007 0.000 0.713 41 K HN 0.253 nan 8.250 nan 0.000 0.444 42 N N 0.253 118.973 118.700 0.034 0.000 2.449 42 N HA -0.075 4.665 4.740 -0.000 0.000 0.191 42 N C 0.649 176.203 175.510 0.073 0.000 1.161 42 N CA 0.461 53.536 53.050 0.041 0.000 0.863 42 N CB 0.062 38.572 38.487 0.037 0.000 0.980 42 N HN 0.213 nan 8.380 nan 0.000 0.458 43 R N -0.683 119.890 120.500 0.120 0.000 2.362 43 R HA 0.230 4.570 4.340 -0.000 0.000 0.227 43 R C -0.494 175.915 176.300 0.182 0.000 0.905 43 R CA -0.156 56.058 56.100 0.191 0.000 1.067 43 R CB 0.161 30.659 30.300 0.331 0.000 1.078 43 R HN 0.157 nan 8.270 nan 0.000 0.516 44 N N 0.907 119.680 118.700 0.122 0.000 2.392 44 N HA 0.112 4.852 4.740 -0.000 0.000 0.283 44 N C 0.194 175.697 175.510 -0.013 0.000 1.003 44 N CA -0.178 52.927 53.050 0.091 0.000 0.892 44 N CB 2.120 40.669 38.487 0.102 0.000 1.193 44 N HN 0.024 nan 8.380 nan 0.000 0.487 45 R N 2.025 122.472 120.500 -0.088 0.000 2.090 45 R HA 0.008 4.348 4.340 -0.000 0.000 0.228 45 R C -0.388 175.617 176.300 -0.491 0.000 1.110 45 R CA 1.331 57.230 56.100 -0.335 0.000 0.973 45 R CB 0.218 30.237 30.300 -0.469 0.000 0.869 45 R HN 0.493 nan 8.270 nan 0.000 0.440 46 Y N -0.064 120.260 120.300 0.040 0.000 2.391 46 Y HA 0.258 4.808 4.550 -0.000 0.000 0.341 46 Y C 0.646 176.570 175.900 0.040 0.000 0.965 46 Y CA -1.183 56.942 58.100 0.041 0.000 1.067 46 Y CB 1.646 40.133 38.460 0.044 0.000 1.199 46 Y HN -0.032 nan 8.280 nan 0.000 0.450 47 R N -0.051 120.556 120.500 0.179 0.000 2.193 47 R HA -0.118 4.222 4.340 -0.000 0.000 0.229 47 R C -0.003 176.360 176.300 0.106 0.000 1.110 47 R CA 2.012 58.179 56.100 0.111 0.000 0.988 47 R CB -0.133 30.216 30.300 0.082 0.000 0.871 47 R HN 0.652 nan 8.270 nan 0.000 0.458 48 D N 0.359 120.834 120.400 0.126 0.000 2.368 48 D HA 0.057 4.697 4.640 -0.000 0.000 0.218 48 D C -0.302 176.045 176.300 0.079 0.000 1.112 48 D CA -0.283 53.770 54.000 0.089 0.000 0.834 48 D CB 0.541 41.383 40.800 0.071 0.000 0.953 48 D HN 0.078 nan 8.370 nan 0.000 0.505 49 V N 0.771 120.750 119.914 0.109 0.000 2.357 49 V HA 0.440 4.560 4.120 -0.000 0.000 0.281 49 V C -0.453 175.686 176.094 0.076 0.000 1.015 49 V CA -0.540 61.805 62.300 0.075 0.000 0.827 49 V CB 1.343 33.223 31.823 0.094 0.000 1.018 49 V HN 0.061 nan 8.190 nan 0.000 0.432 50 S N 6.204 121.920 115.700 0.028 0.000 2.570 50 S HA 0.692 5.162 4.470 -0.000 0.000 0.286 50 S C -2.888 171.686 174.600 -0.044 0.000 1.099 50 S CA -1.165 57.063 58.200 0.048 0.000 0.913 50 S CB 2.827 66.073 63.200 0.077 0.000 1.085 50 S HN 0.572 nan 8.310 nan 0.000 0.480 51 P HA 0.348 nan 4.420 nan 0.000 0.279 51 P C -0.985 176.332 177.300 0.028 0.000 1.239 51 P CA -0.439 62.621 63.100 -0.066 0.000 0.789 51 P CB 0.240 31.946 31.700 0.011 0.000 0.933 52 F N 1.496 121.459 119.950 0.021 0.000 2.506 52 F HA 0.020 4.547 4.527 -0.000 0.000 0.351 52 F C 1.911 177.678 175.800 -0.055 0.000 1.136 52 F CA 0.242 58.244 58.000 0.003 0.000 1.298 52 F CB -0.415 38.542 39.000 -0.073 0.000 1.145 52 F HN 0.308 nan 8.300 nan 0.000 0.593 53 D N 0.556 121.087 120.400 0.217 0.000 2.123 53 D HA -0.244 4.396 4.640 -0.000 0.000 0.196 53 D C 2.052 178.399 176.300 0.078 0.000 0.992 53 D CA 2.260 56.340 54.000 0.133 0.000 0.833 53 D CB -0.500 40.377 40.800 0.129 0.000 0.954 53 D HN 0.806 nan 8.370 nan 0.000 0.455 54 H N 0.153 119.252 119.070 0.049 0.000 2.456 54 H HA 0.018 4.574 4.556 -0.000 0.000 0.296 54 H C 1.498 176.851 175.328 0.043 0.000 1.079 54 H CA 1.858 57.892 56.048 -0.023 0.000 1.322 54 H CB -0.223 29.416 29.762 -0.205 0.000 1.388 54 H HN 0.075 nan 8.280 nan 0.000 0.538 55 S N 0.374 115.823 115.700 -0.418 0.000 2.578 55 S HA 0.133 4.603 4.470 -0.000 0.000 0.231 55 S C 0.797 175.382 174.600 -0.026 0.000 0.994 55 S CA -0.743 57.380 58.200 -0.128 0.000 0.956 55 S CB -0.040 63.100 63.200 -0.101 0.000 0.870 55 S HN 0.636 nan 8.310 nan 0.000 0.494 56 R N 1.185 121.674 120.500 -0.019 0.000 2.694 56 R HA 0.299 4.639 4.340 -0.000 0.000 0.268 56 R C -0.391 175.898 176.300 -0.019 0.000 1.061 56 R CA -0.477 55.617 56.100 -0.009 0.000 1.133 56 R CB 0.158 30.480 30.300 0.037 0.000 1.020 56 R HN 0.123 nan 8.270 nan 0.000 0.475 57 I N 2.643 123.173 120.570 -0.065 0.000 2.371 57 I HA 0.145 4.315 4.170 -0.000 0.000 0.290 57 I C 0.336 176.405 176.117 -0.080 0.000 1.028 57 I CA -0.339 60.916 61.300 -0.075 0.000 1.345 57 I CB 1.110 39.034 38.000 -0.126 0.000 1.407 57 I HN 0.632 nan 8.210 nan 0.000 0.501 58 K N 6.852 127.240 120.400 -0.021 0.000 2.211 58 K HA 0.514 4.834 4.320 -0.000 0.000 0.275 58 K C -0.505 176.106 176.600 0.018 0.000 1.024 58 K CA -0.669 55.622 56.287 0.008 0.000 0.887 58 K CB 1.641 34.178 32.500 0.062 0.000 1.084 58 K HN 0.415 nan 8.250 nan 0.000 0.463 59 L N 2.983 124.189 121.223 -0.028 0.000 2.417 59 L HA 0.122 4.462 4.340 -0.000 0.000 0.268 59 L C 1.156 178.098 176.870 0.120 0.000 1.158 59 L CA -0.218 54.598 54.840 -0.040 0.000 0.819 59 L CB 0.315 42.320 42.059 -0.091 0.000 1.112 59 L HN 0.710 nan 8.230 nan 0.000 0.458 60 H N 0.469 119.540 119.070 0.002 0.000 2.566 60 H HA -0.002 4.554 4.556 -0.000 0.000 0.280 60 H C -0.087 175.251 175.328 0.017 0.000 1.042 60 H CA -0.439 55.619 56.048 0.017 0.000 1.168 60 H CB 0.107 29.893 29.762 0.039 0.000 1.340 60 H HN 0.545 nan 8.280 nan 0.000 0.597 61 Q N 0.453 120.322 119.800 0.116 0.000 2.241 61 Q HA 0.141 4.481 4.340 -0.000 0.000 0.254 61 Q C 0.300 176.330 176.000 0.050 0.000 0.917 61 Q CA -0.708 55.138 55.803 0.072 0.000 0.919 61 Q CB 1.573 30.342 28.738 0.052 0.000 1.237 61 Q HN 0.146 nan 8.270 nan 0.000 0.434 62 E N 2.380 122.606 120.200 0.042 0.000 2.106 62 E HA -0.200 4.150 4.350 -0.000 0.000 0.192 62 E C 0.875 177.492 176.600 0.028 0.000 0.984 62 E CA 1.380 57.799 56.400 0.031 0.000 0.806 62 E CB 0.005 29.721 29.700 0.026 0.000 0.750 62 E HN 0.903 nan 8.360 nan 0.000 0.458 63 D N 0.970 121.388 120.400 0.030 0.000 2.137 63 D HA -0.153 4.487 4.640 -0.000 0.000 0.193 63 D C 0.425 176.740 176.300 0.024 0.000 0.993 63 D CA 1.202 55.219 54.000 0.029 0.000 0.846 63 D CB 0.152 40.975 40.800 0.037 0.000 0.990 63 D HN -0.053 nan 8.370 nan 0.000 0.448 64 N N -0.754 117.955 118.700 0.015 0.000 2.533 64 N HA 0.100 4.840 4.740 -0.000 0.000 0.289 64 N C -1.416 174.082 175.510 -0.020 0.000 1.103 64 N CA -0.429 52.626 53.050 0.009 0.000 0.877 64 N CB 1.538 40.031 38.487 0.010 0.000 1.419 64 N HN 0.092 nan 8.380 nan 0.000 0.517 65 D N 1.904 122.313 120.400 0.014 0.000 2.325 65 D HA -0.032 4.608 4.640 -0.000 0.000 0.225 65 D C -0.074 176.215 176.300 -0.019 0.000 1.096 65 D CA -0.038 53.960 54.000 -0.002 0.000 0.844 65 D CB -0.511 40.310 40.800 0.035 0.000 0.925 65 D HN 0.402 nan 8.370 nan 0.000 0.513 66 Y N 0.994 121.228 120.300 -0.110 0.000 2.359 66 Y HA 0.453 5.003 4.550 -0.000 0.000 0.334 66 Y C -0.575 175.242 175.900 -0.137 0.000 1.058 66 Y CA -0.850 57.191 58.100 -0.098 0.000 1.244 66 Y CB 0.485 38.906 38.460 -0.064 0.000 1.187 66 Y HN 0.011 nan 8.280 nan 0.000 0.510 67 I N 6.257 126.146 120.570 -1.136 0.000 2.722 67 I HA 0.260 4.430 4.170 -0.000 0.000 0.295 67 I C -1.199 174.323 176.117 -0.992 0.000 1.161 67 I CA -0.878 59.906 61.300 -0.860 0.000 1.032 67 I CB 1.623 39.379 38.000 -0.407 0.000 1.244 67 I HN 0.636 nan 8.210 nan 0.000 0.421 68 N N 6.432 124.782 118.700 -0.583 0.000 2.671 68 N HA 0.450 5.190 4.740 -0.000 0.000 0.274 68 N C -1.203 174.201 175.510 -0.177 0.000 1.188 68 N CA 0.238 53.137 53.050 -0.252 0.000 1.065 68 N CB 0.222 38.701 38.487 -0.013 0.000 1.415 68 N HN 0.655 nan 8.380 nan 0.000 0.511 69 A N 1.399 124.101 122.820 -0.198 0.000 2.547 69 A HA 0.668 4.988 4.320 -0.000 0.000 0.297 69 A C -0.979 176.541 177.584 -0.106 0.000 1.056 69 A CA -0.631 51.320 52.037 -0.143 0.000 0.688 69 A CB 1.254 20.142 19.000 -0.186 0.000 1.282 69 A HN 0.336 nan 8.150 nan 0.000 0.400 70 S N 0.458 116.119 115.700 -0.066 0.000 2.526 70 S HA 0.614 5.084 4.470 -0.000 0.000 0.293 70 S C -1.038 173.562 174.600 -0.001 0.000 1.092 70 S CA -0.505 57.679 58.200 -0.027 0.000 0.980 70 S CB 1.579 64.770 63.200 -0.015 0.000 1.048 70 S HN 1.013 nan 8.310 nan 0.000 0.483 71 L N 3.305 124.539 121.223 0.018 0.000 2.261 71 L HA 0.538 4.878 4.340 -0.000 0.000 0.289 71 L C -1.391 175.458 176.870 -0.035 0.000 1.059 71 L CA -0.260 54.577 54.840 -0.005 0.000 0.816 71 L CB -0.027 42.026 42.059 -0.010 0.000 1.191 71 L HN 0.510 nan 8.230 nan 0.000 0.431 72 I N 5.664 126.186 120.570 -0.080 0.000 2.287 72 I HA 0.282 4.452 4.170 -0.000 0.000 0.290 72 I C 0.170 176.015 176.117 -0.453 0.000 1.069 72 I CA -0.018 61.120 61.300 -0.269 0.000 1.237 72 I CB 0.654 38.679 38.000 0.042 0.000 1.418 72 I HN 0.505 nan 8.210 nan 0.000 0.481 73 K N 7.087 126.884 120.400 -1.004 0.000 2.292 73 K HA 0.426 4.746 4.320 -0.000 0.000 0.270 73 K C -0.841 175.475 176.600 -0.473 0.000 1.062 73 K CA -0.586 55.358 56.287 -0.571 0.000 0.916 73 K CB 0.534 32.811 32.500 -0.371 0.000 1.166 73 K HN 0.343 nan 8.250 nan 0.000 0.458 74 M N 3.953 123.427 119.600 -0.210 0.000 2.206 74 M HA 0.090 4.570 4.480 -0.000 0.000 0.353 74 M C 0.905 177.188 176.300 -0.030 0.000 1.242 74 M CA 0.101 55.369 55.300 -0.053 0.000 1.179 74 M CB 0.541 33.166 32.600 0.042 0.000 1.374 74 M HN 0.726 nan 8.290 nan 0.000 0.427 75 E N 2.348 122.553 120.200 0.009 0.000 2.033 75 E HA -0.256 4.094 4.350 -0.000 0.000 0.199 75 E C 1.480 178.089 176.600 0.015 0.000 1.011 75 E CA 2.016 58.427 56.400 0.017 0.000 0.815 75 E CB 0.251 29.984 29.700 0.055 0.000 0.755 75 E HN 0.774 nan 8.360 nan 0.000 0.451 76 E N -0.369 119.851 120.200 0.033 0.000 2.077 76 E HA -0.187 4.163 4.350 -0.000 0.000 0.193 76 E C 1.832 178.441 176.600 0.014 0.000 0.989 76 E CA 1.010 57.426 56.400 0.026 0.000 0.800 76 E CB -0.141 29.581 29.700 0.037 0.000 0.746 76 E HN 0.296 nan 8.360 nan 0.000 0.452 77 A N 0.222 123.052 122.820 0.016 0.000 2.119 77 A HA -0.122 4.198 4.320 -0.000 0.000 0.217 77 A C 0.803 178.372 177.584 -0.024 0.000 1.153 77 A CA 1.006 53.046 52.037 0.006 0.000 0.692 77 A CB -0.209 18.807 19.000 0.026 0.000 0.799 77 A HN 0.455 nan 8.150 nan 0.000 0.458 78 Q N -1.956 117.822 119.800 -0.037 0.000 2.478 78 Q HA -0.201 4.139 4.340 -0.000 0.000 0.286 78 Q C -0.071 175.862 176.000 -0.111 0.000 1.299 78 Q CA 1.096 56.861 55.803 -0.062 0.000 0.826 78 Q CB -1.382 27.329 28.738 -0.046 0.000 1.199 78 Q HN 0.788 nan 8.270 nan 0.000 0.451 79 R N -0.234 120.172 120.500 -0.158 0.000 2.584 79 R HA 0.614 4.954 4.340 -0.000 0.000 0.276 79 R C -1.423 174.637 176.300 -0.401 0.000 1.046 79 R CA -0.349 55.571 56.100 -0.300 0.000 0.906 79 R CB 1.917 31.997 30.300 -0.366 0.000 1.215 79 R HN 0.050 nan 8.270 nan 0.000 0.449 80 S N 2.092 117.516 115.700 -0.460 0.000 2.532 80 S HA 0.662 5.132 4.470 -0.000 0.000 0.301 80 S C -1.676 172.620 174.600 -0.507 0.000 1.083 80 S CA -0.469 57.504 58.200 -0.380 0.000 1.025 80 S CB 1.052 64.123 63.200 -0.215 0.000 1.056 80 S HN 0.437 nan 8.310 nan 0.000 0.494 81 Y N 0.225 120.480 120.300 -0.076 0.000 2.524 81 Y HA 0.581 5.130 4.550 -0.000 0.000 0.347 81 Y C -0.420 175.448 175.900 -0.054 0.000 1.005 81 Y CA -0.930 57.149 58.100 -0.035 0.000 1.025 81 Y CB 0.998 39.466 38.460 0.014 0.000 1.275 81 Y HN 0.437 nan 8.280 nan 0.000 0.460 82 I N 3.539 124.175 120.570 0.111 0.000 2.339 82 I HA 0.304 4.474 4.170 -0.000 0.000 0.290 82 I C -1.225 174.912 176.117 0.033 0.000 0.994 82 I CA -0.623 60.689 61.300 0.021 0.000 1.191 82 I CB 1.056 39.017 38.000 -0.065 0.000 1.343 82 I HN 0.317 nan 8.210 nan 0.000 0.458 83 L N 6.155 127.390 121.223 0.019 0.000 2.307 83 L HA 0.617 4.957 4.340 -0.000 0.000 0.284 83 L C 0.076 176.938 176.870 -0.012 0.000 1.023 83 L CA 0.116 54.963 54.840 0.011 0.000 0.810 83 L CB 1.779 43.840 42.059 0.003 0.000 1.231 83 L HN 0.517 nan 8.230 nan 0.000 0.423 84 T N 1.601 116.162 114.554 0.012 0.000 2.864 84 T HA 0.466 4.815 4.350 -0.000 0.000 0.299 84 T C -1.026 173.692 174.700 0.031 0.000 1.166 84 T CA -0.688 61.408 62.100 -0.006 0.000 1.007 84 T CB 1.321 70.163 68.868 -0.043 0.000 1.219 84 T HN 0.644 nan 8.240 nan 0.000 0.506 85 Q N 1.203 121.004 119.800 0.000 0.000 2.443 85 Q HA 0.556 4.896 4.340 -0.000 0.000 0.232 85 Q C 0.608 176.561 176.000 -0.078 0.000 1.026 85 Q CA -0.807 55.008 55.803 0.020 0.000 0.924 85 Q CB 0.083 28.840 28.738 0.031 0.000 1.256 85 Q HN 0.740 nan 8.270 nan 0.000 0.519 86 G N 1.668 110.444 108.800 -0.040 0.000 2.365 86 G HA2 0.304 4.264 3.960 -0.000 0.000 0.249 86 G HA3 0.304 4.264 3.960 -0.000 0.000 0.249 86 G C -2.377 172.373 174.900 -0.249 0.000 1.288 86 G CA -0.993 43.983 45.100 -0.207 0.000 0.887 86 G HN 0.449 nan 8.290 nan 0.000 0.524 87 P HA 0.076 nan 4.420 nan 0.000 0.267 87 P C 0.047 177.260 177.300 -0.145 0.000 1.200 87 P CA 0.007 62.921 63.100 -0.310 0.000 0.772 87 P CB 0.690 32.060 31.700 -0.551 0.000 0.855 88 L N 4.974 126.140 121.223 -0.095 0.000 2.387 88 L HA 0.331 4.671 4.340 -0.000 0.000 0.266 88 L C -1.239 175.611 176.870 -0.033 0.000 1.059 88 L CA -1.995 52.811 54.840 -0.057 0.000 0.801 88 L CB 0.806 42.838 42.059 -0.045 0.000 1.223 88 L HN 0.293 nan 8.230 nan 0.000 0.456 89 P HA -0.172 nan 4.420 nan 0.000 0.217 89 P C 0.575 177.873 177.300 -0.003 0.000 1.151 89 P CA 1.304 64.404 63.100 -0.001 0.000 0.849 89 P CB -0.013 31.682 31.700 -0.008 0.000 0.787 90 N N -1.860 116.827 118.700 -0.022 0.000 2.336 90 N HA -0.007 4.733 4.740 -0.000 0.000 0.189 90 N C 0.669 176.088 175.510 -0.152 0.000 1.113 90 N CA 0.986 54.007 53.050 -0.049 0.000 0.858 90 N CB -0.803 37.679 38.487 -0.009 0.000 0.970 90 N HN 0.180 nan 8.380 nan 0.000 0.471 91 T N -4.080 110.402 114.554 -0.119 0.000 3.132 91 T HA 0.245 4.594 4.350 -0.000 0.000 0.274 91 T C 1.397 176.006 174.700 -0.152 0.000 1.011 91 T CA -0.336 61.660 62.100 -0.174 0.000 0.899 91 T CB -0.910 67.996 68.868 0.064 0.000 1.089 91 T HN 0.097 nan 8.240 nan 0.000 0.543 92 C N 1.392 120.635 119.300 -0.096 0.000 2.440 92 C HA 0.206 4.666 4.460 -0.000 0.000 0.278 92 C C 3.034 177.907 174.990 -0.195 0.000 1.295 92 C CA 0.815 59.798 59.018 -0.059 0.000 1.738 92 C CB -1.275 26.606 27.740 0.236 0.000 1.987 92 C HN 0.780 nan 8.230 nan 0.000 0.492 93 G N -0.266 108.459 108.800 -0.126 0.000 2.421 93 G HA2 -0.210 3.749 3.960 -0.000 0.000 0.216 93 G HA3 -0.210 3.749 3.960 -0.000 0.000 0.216 93 G C 1.118 175.982 174.900 -0.059 0.000 1.171 93 G CA 0.920 45.949 45.100 -0.118 0.000 0.775 93 G HN 0.728 nan 8.290 nan 0.000 0.543 94 H N -1.127 117.921 119.070 -0.036 0.000 2.352 94 H HA -0.080 4.476 4.556 -0.000 0.000 0.299 94 H C 2.234 177.480 175.328 -0.137 0.000 1.097 94 H CA 1.128 57.134 56.048 -0.070 0.000 1.311 94 H CB -0.176 29.546 29.762 -0.068 0.000 1.377 94 H HN 0.371 nan 8.280 nan 0.000 0.504 95 F N 0.470 120.271 119.950 -0.247 0.000 2.069 95 F HA -0.256 4.270 4.527 -0.000 0.000 0.298 95 F C 1.646 177.116 175.800 -0.549 0.000 1.113 95 F CA 1.488 59.187 58.000 -0.501 0.000 1.214 95 F CB -0.444 38.082 39.000 -0.791 0.000 0.978 95 F HN 0.114 nan 8.300 nan 0.000 0.474 96 W N 0.772 122.030 121.300 -0.070 0.000 2.467 96 W HA -0.068 4.592 4.660 -0.000 0.000 0.275 96 W C 2.539 179.006 176.519 -0.086 0.000 1.239 96 W CA 1.071 58.346 57.345 -0.118 0.000 1.266 96 W CB -0.458 28.845 29.460 -0.261 0.000 1.112 96 W HN 0.133 nan 8.180 nan 0.000 0.576 97 E N 0.720 120.965 120.200 0.076 0.000 2.106 97 E HA -0.275 4.074 4.350 -0.000 0.000 0.192 97 E C 2.113 178.707 176.600 -0.011 0.000 0.984 97 E CA 1.500 57.939 56.400 0.064 0.000 0.806 97 E CB -0.283 29.442 29.700 0.041 0.000 0.750 97 E HN 0.329 nan 8.360 nan 0.000 0.458 98 M N 0.197 119.705 119.600 -0.153 0.000 2.099 98 M HA -0.139 4.341 4.480 -0.000 0.000 0.262 98 M C 2.089 178.247 176.300 -0.237 0.000 1.067 98 M CA 1.246 56.397 55.300 -0.249 0.000 1.124 98 M CB 0.022 32.406 32.600 -0.360 0.000 1.353 98 M HN 0.038 nan 8.290 nan 0.000 0.410 99 V N 0.284 120.020 119.914 -0.297 0.000 2.282 99 V HA -0.329 3.791 4.120 -0.000 0.000 0.249 99 V C 2.173 178.276 176.094 0.015 0.000 1.057 99 V CA 2.329 64.520 62.300 -0.182 0.000 1.032 99 V CB -1.081 30.679 31.823 -0.106 0.000 0.645 99 V HN 0.763 nan 8.190 nan 0.000 0.447 100 W N 1.072 122.350 121.300 -0.037 0.000 2.380 100 W HA -0.161 4.499 4.660 -0.000 0.000 0.317 100 W C 2.446 178.925 176.519 -0.066 0.000 1.196 100 W CA 2.055 59.394 57.345 -0.011 0.000 1.307 100 W CB -0.278 29.193 29.460 0.018 0.000 1.157 100 W HN 0.354 nan 8.180 nan 0.000 0.483 101 E N -0.199 120.054 120.200 0.088 0.000 2.118 101 E HA -0.266 4.084 4.350 -0.000 0.000 0.195 101 E C 1.929 178.435 176.600 -0.156 0.000 0.992 101 E CA 1.277 57.603 56.400 -0.123 0.000 0.804 101 E CB -0.307 29.058 29.700 -0.558 0.000 0.741 101 E HN 0.226 nan 8.360 nan 0.000 0.458 102 Q N 0.219 119.924 119.800 -0.159 0.000 2.444 102 Q HA 0.033 4.373 4.340 -0.000 0.000 0.206 102 Q C 0.042 175.969 176.000 -0.122 0.000 0.948 102 Q CA 0.302 56.030 55.803 -0.124 0.000 0.946 102 Q CB 0.303 28.961 28.738 -0.134 0.000 1.027 102 Q HN 0.234 nan 8.270 nan 0.000 0.513 103 K N 0.262 120.555 120.400 -0.177 0.000 3.129 103 K HA -0.110 4.210 4.320 -0.000 0.000 0.273 103 K C -0.494 176.030 176.600 -0.127 0.000 1.123 103 K CA 0.362 56.530 56.287 -0.200 0.000 0.800 103 K CB -1.903 30.510 32.500 -0.145 0.000 1.238 103 K HN 0.085 nan 8.250 nan 0.000 0.492 104 S N 0.228 115.859 115.700 -0.114 0.000 2.572 104 S HA 0.166 4.636 4.470 -0.000 0.000 0.279 104 S C 1.244 175.790 174.600 -0.090 0.000 1.341 104 S CA -0.215 57.938 58.200 -0.080 0.000 1.043 104 S CB 1.518 64.668 63.200 -0.082 0.000 0.887 104 S HN 0.473 nan 8.310 nan 0.000 0.516 105 R N 1.098 121.525 120.500 -0.122 0.000 2.344 105 R HA 0.304 4.644 4.340 -0.000 0.000 0.209 105 R C 0.469 176.749 176.300 -0.033 0.000 0.886 105 R CA 0.507 56.486 56.100 -0.202 0.000 1.040 105 R CB 0.140 30.038 30.300 -0.669 0.000 1.114 105 R HN 0.650 nan 8.270 nan 0.000 0.547 106 G N -0.262 108.570 108.800 0.054 0.000 2.620 106 G HA2 0.586 4.546 3.960 -0.000 0.000 0.301 106 G HA3 0.586 4.546 3.960 -0.000 0.000 0.301 106 G C -1.774 173.252 174.900 0.210 0.000 1.347 106 G CA -0.505 44.716 45.100 0.201 0.000 0.971 106 G HN -0.002 nan 8.290 nan 0.000 0.488 107 V N 1.201 121.295 119.914 0.299 0.000 2.483 107 V HA 0.451 4.571 4.120 -0.000 0.000 0.297 107 V C -0.414 175.837 176.094 0.261 0.000 1.027 107 V CA -0.690 61.792 62.300 0.304 0.000 0.855 107 V CB 1.777 33.887 31.823 0.477 0.000 0.995 107 V HN 0.585 nan 8.190 nan 0.000 0.424 108 V N 6.158 126.143 119.914 0.120 0.000 2.347 108 V HA 0.474 4.594 4.120 -0.000 0.000 0.280 108 V C -0.031 175.931 176.094 -0.219 0.000 1.021 108 V CA -0.289 61.992 62.300 -0.032 0.000 0.847 108 V CB 1.446 33.100 31.823 -0.283 0.000 0.990 108 V HN 0.904 nan 8.190 nan 0.000 0.444 109 M N 5.944 125.368 119.600 -0.293 0.000 2.149 109 M HA 0.501 4.981 4.480 -0.000 0.000 0.342 109 M C -0.439 175.678 176.300 -0.305 0.000 1.068 109 M CA -0.398 54.556 55.300 -0.577 0.000 0.991 109 M CB 1.124 33.382 32.600 -0.571 0.000 1.596 109 M HN 0.575 nan 8.290 nan 0.000 0.439 110 L N 4.817 125.803 121.223 -0.394 0.000 2.769 110 L HA 0.294 4.634 4.340 -0.000 0.000 0.240 110 L C 0.244 177.000 176.870 -0.190 0.000 1.163 110 L CA -0.393 54.275 54.840 -0.286 0.000 0.962 110 L CB -0.682 41.019 42.059 -0.598 0.000 1.258 110 L HN 0.706 nan 8.230 nan 0.000 0.513 111 N N -0.458 118.202 118.700 -0.065 0.000 2.761 111 N HA 0.477 5.217 4.740 -0.000 0.000 0.283 111 N C -0.800 174.864 175.510 0.256 0.000 1.377 111 N CA -0.854 52.222 53.050 0.045 0.000 0.791 111 N CB 1.728 40.218 38.487 0.005 0.000 1.540 111 N HN -0.087 nan 8.380 nan 0.000 0.539 112 R N -0.552 120.092 120.500 0.240 0.000 2.787 112 R HA 0.457 4.797 4.340 -0.000 0.000 0.271 112 R C 1.147 177.591 176.300 0.241 0.000 0.993 112 R CA -0.903 55.386 56.100 0.315 0.000 0.993 112 R CB 1.900 32.333 30.300 0.221 0.000 1.155 112 R HN 0.296 nan 8.270 nan 0.000 0.486 113 V N 1.138 121.201 119.914 0.248 0.000 2.343 113 V HA -0.145 3.975 4.120 -0.000 0.000 0.247 113 V C 0.942 177.106 176.094 0.116 0.000 1.051 113 V CA 1.631 64.030 62.300 0.165 0.000 1.036 113 V CB -0.171 31.715 31.823 0.105 0.000 0.654 113 V HN 0.606 nan 8.190 nan 0.000 0.451 114 M N -0.033 119.632 119.600 0.109 0.000 2.259 114 M HA 0.435 4.915 4.480 -0.000 0.000 0.304 114 M C -1.369 174.987 176.300 0.092 0.000 1.019 114 M CA -0.208 55.143 55.300 0.085 0.000 0.922 114 M CB 1.879 34.515 32.600 0.061 0.000 1.600 114 M HN 0.123 nan 8.290 nan 0.000 0.433 115 E N 4.424 124.678 120.200 0.090 0.000 2.241 115 E HA 0.307 4.657 4.350 -0.000 0.000 0.263 115 E C -1.065 175.583 176.600 0.080 0.000 0.882 115 E CA -0.713 55.741 56.400 0.089 0.000 0.769 115 E CB 1.624 31.382 29.700 0.096 0.000 1.185 115 E HN 0.655 nan 8.360 nan 0.000 0.415 116 K N 1.515 121.957 120.400 0.070 0.000 3.156 116 K HA -0.284 4.036 4.320 -0.000 0.000 0.266 116 K C 0.633 177.266 176.600 0.055 0.000 0.966 116 K CA 0.624 56.947 56.287 0.061 0.000 0.719 116 K CB -1.533 31.006 32.500 0.065 0.000 1.333 116 K HN 1.114 nan 8.250 nan 0.000 0.468 117 G N -0.930 107.901 108.800 0.051 0.000 2.184 117 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.264 117 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.264 117 G C -0.104 174.825 174.900 0.048 0.000 0.975 117 G CA 0.446 45.573 45.100 0.044 0.000 0.642 117 G HN 0.446 nan 8.290 nan 0.000 0.536 118 S N -0.004 115.733 115.700 0.061 0.000 2.500 118 S HA 0.700 5.170 4.470 -0.000 0.000 0.301 118 S C 0.127 174.770 174.600 0.071 0.000 1.092 118 S CA -0.815 57.426 58.200 0.067 0.000 1.030 118 S CB 2.059 65.311 63.200 0.086 0.000 1.031 118 S HN 0.429 nan 8.310 nan 0.000 0.483 119 L N 3.219 124.477 121.223 0.058 0.000 2.416 119 L HA 0.286 4.625 4.340 -0.000 0.000 0.272 119 L C 1.045 177.959 176.870 0.074 0.000 1.161 119 L CA -0.073 54.800 54.840 0.055 0.000 0.845 119 L CB 0.366 42.442 42.059 0.029 0.000 1.119 119 L HN 0.628 nan 8.230 nan 0.000 0.464 120 K N 1.510 121.965 120.400 0.090 0.000 2.440 120 K HA 0.253 4.573 4.320 -0.000 0.000 0.207 120 K C -0.465 176.195 176.600 0.101 0.000 1.112 120 K CA 0.158 56.517 56.287 0.119 0.000 1.036 120 K CB 0.794 33.376 32.500 0.137 0.000 0.935 120 K HN 0.612 nan 8.250 nan 0.000 0.564 121 C N 0.359 119.710 119.300 0.087 0.000 3.279 121 C HA 0.656 5.116 4.460 -0.000 0.000 0.386 121 C C -0.908 174.128 174.990 0.077 0.000 1.081 121 C CA -0.895 58.177 59.018 0.090 0.000 1.192 121 C CB 0.746 28.602 27.740 0.193 0.000 1.552 121 C HN 0.455 nan 8.230 nan 0.000 0.559 122 A N 3.111 125.965 122.820 0.057 0.000 2.332 122 A HA 0.554 4.874 4.320 -0.000 0.000 0.258 122 A C 0.066 177.681 177.584 0.051 0.000 1.087 122 A CA 0.074 52.135 52.037 0.039 0.000 0.802 122 A CB 0.283 19.301 19.000 0.030 0.000 1.042 122 A HN 1.005 nan 8.150 nan 0.000 0.489 123 Q N 1.093 120.839 119.800 -0.090 0.000 2.513 123 Q HA 0.227 4.567 4.340 -0.000 0.000 0.227 123 Q C -0.197 175.670 176.000 -0.221 0.000 1.257 123 Q CA 0.338 55.926 55.803 -0.358 0.000 0.915 123 Q CB -0.575 27.938 28.738 -0.376 0.000 1.507 123 Q HN 0.708 nan 8.270 nan 0.000 0.543 124 Y N 1.213 121.488 120.300 -0.042 0.000 2.490 124 Y HA 0.314 4.864 4.550 -0.000 0.000 0.281 124 Y C -0.548 175.678 175.900 0.543 0.000 1.174 124 Y CA -1.116 57.120 58.100 0.227 0.000 1.295 124 Y CB -0.407 38.059 38.460 0.010 0.000 1.062 124 Y HN 0.393 nan 8.280 nan 0.000 0.522 125 W N -0.180 121.067 121.300 -0.088 0.000 2.962 125 W HA 0.792 5.452 4.660 -0.000 0.000 0.341 125 W C -3.304 173.160 176.519 -0.090 0.000 1.155 125 W CA -3.293 54.023 57.345 -0.047 0.000 1.165 125 W CB 0.685 29.991 29.460 -0.257 0.000 1.435 125 W HN -0.357 nan 8.180 nan 0.000 0.546 126 P HA 0.138 nan 4.420 nan 0.000 0.276 126 P C 0.021 177.247 177.300 -0.123 0.000 1.235 126 P CA 0.082 63.093 63.100 -0.148 0.000 0.772 126 P CB 1.300 32.966 31.700 -0.057 0.000 0.871 127 Q N 1.284 120.959 119.800 -0.209 0.000 2.398 127 Q HA 0.048 4.387 4.340 -0.000 0.000 0.204 127 Q C 0.026 176.017 176.000 -0.014 0.000 0.932 127 Q CA 0.918 56.669 55.803 -0.086 0.000 0.916 127 Q CB 0.178 28.830 28.738 -0.144 0.000 1.024 127 Q HN 0.448 nan 8.270 nan 0.000 0.504 128 K N -0.249 120.127 120.400 -0.040 0.000 2.443 128 K HA 0.187 4.507 4.320 -0.000 0.000 0.252 128 K C -0.325 176.261 176.600 -0.024 0.000 0.933 128 K CA -0.387 55.885 56.287 -0.026 0.000 0.792 128 K CB 1.830 34.305 32.500 -0.042 0.000 1.185 128 K HN -0.160 nan 8.250 nan 0.000 0.425 129 E N 1.712 121.905 120.200 -0.012 0.000 2.070 129 E HA -0.266 4.083 4.350 -0.000 0.000 0.197 129 E C 1.513 178.096 176.600 -0.028 0.000 1.004 129 E CA 1.785 58.177 56.400 -0.014 0.000 0.805 129 E CB 0.148 29.843 29.700 -0.009 0.000 0.744 129 E HN 0.630 nan 8.360 nan 0.000 0.451 130 E N 0.918 121.099 120.200 -0.031 0.000 2.478 130 E HA -0.140 4.210 4.350 -0.000 0.000 0.198 130 E C 0.098 176.668 176.600 -0.049 0.000 1.046 130 E CA 0.782 57.160 56.400 -0.037 0.000 0.870 130 E CB 0.028 29.708 29.700 -0.032 0.000 0.818 130 E HN 0.079 nan 8.360 nan 0.000 0.527 131 K N 2.529 122.893 120.400 -0.059 0.000 2.606 131 K HA 0.078 4.398 4.320 -0.000 0.000 0.196 131 K C -0.011 176.531 176.600 -0.096 0.000 1.048 131 K CA -0.395 55.845 56.287 -0.078 0.000 1.017 131 K CB 0.881 33.331 32.500 -0.083 0.000 1.413 131 K HN 0.159 nan 8.250 nan 0.000 0.568 132 E N 2.849 122.991 120.200 -0.097 0.000 2.397 132 E HA 0.126 4.476 4.350 -0.000 0.000 0.254 132 E C -0.390 176.106 176.600 -0.173 0.000 1.231 132 E CA -0.032 56.299 56.400 -0.116 0.000 0.954 132 E CB 0.873 30.513 29.700 -0.101 0.000 1.024 132 E HN 0.252 nan 8.360 nan 0.000 0.481 133 M N 0.869 120.330 119.600 -0.233 0.000 2.456 133 M HA 0.423 4.902 4.480 -0.000 0.000 0.324 133 M C -0.578 175.419 176.300 -0.504 0.000 1.124 133 M CA -0.902 54.152 55.300 -0.409 0.000 0.959 133 M CB 1.862 34.142 32.600 -0.533 0.000 1.692 133 M HN 0.332 nan 8.290 nan 0.000 0.444 134 I N 2.696 122.939 120.570 -0.544 0.000 2.465 134 I HA 0.368 4.538 4.170 -0.000 0.000 0.291 134 I C -1.220 174.581 176.117 -0.526 0.000 1.014 134 I CA -0.427 60.631 61.300 -0.404 0.000 1.093 134 I CB 1.519 39.395 38.000 -0.207 0.000 1.267 134 I HN 0.605 nan 8.210 nan 0.000 0.431 135 F N 4.882 124.814 119.950 -0.031 0.000 2.291 135 F HA 0.352 4.879 4.527 -0.000 0.000 0.368 135 F C 1.561 177.353 175.800 -0.014 0.000 1.085 135 F CA -0.523 57.477 58.000 -0.000 0.000 1.165 135 F CB 0.450 39.483 39.000 0.056 0.000 1.429 135 F HN 0.507 nan 8.300 nan 0.000 0.503 136 E N 1.088 121.329 120.200 0.067 0.000 2.070 136 E HA -0.255 4.095 4.350 -0.000 0.000 0.197 136 E C 1.708 178.342 176.600 0.057 0.000 1.004 136 E CA 1.755 58.177 56.400 0.036 0.000 0.805 136 E CB -0.069 29.634 29.700 0.005 0.000 0.744 136 E HN 0.655 nan 8.360 nan 0.000 0.451 137 D N 0.375 120.822 120.400 0.078 0.000 2.178 137 D HA -0.148 4.492 4.640 -0.000 0.000 0.201 137 D C 1.722 178.076 176.300 0.089 0.000 0.980 137 D CA 1.816 55.863 54.000 0.078 0.000 0.842 137 D CB -0.501 40.347 40.800 0.080 0.000 0.948 137 D HN 0.272 nan 8.370 nan 0.000 0.472 138 T N -3.473 111.146 114.554 0.108 0.000 3.054 138 T HA 0.109 4.459 4.350 -0.000 0.000 0.255 138 T C 0.656 175.375 174.700 0.032 0.000 1.035 138 T CA -0.093 62.056 62.100 0.083 0.000 0.941 138 T CB -0.582 68.346 68.868 0.100 0.000 1.026 138 T HN 0.299 nan 8.240 nan 0.000 0.533 139 N N 0.793 119.514 118.700 0.036 0.000 2.738 139 N HA -0.128 4.612 4.740 -0.000 0.000 0.249 139 N C -1.164 174.310 175.510 -0.060 0.000 1.047 139 N CA 0.036 53.076 53.050 -0.017 0.000 0.707 139 N CB -0.948 37.511 38.487 -0.046 0.000 0.937 139 N HN 0.521 nan 8.380 nan 0.000 0.545 140 L N 0.506 121.741 121.223 0.020 0.000 2.370 140 L HA 0.503 4.843 4.340 -0.000 0.000 0.266 140 L C -0.076 176.840 176.870 0.076 0.000 1.002 140 L CA -0.729 54.110 54.840 -0.002 0.000 0.818 140 L CB 2.090 44.179 42.059 0.050 0.000 1.325 140 L HN 0.033 nan 8.230 nan 0.000 0.418 141 K N 2.302 122.693 120.400 -0.016 0.000 2.259 141 K HA 0.744 5.064 4.320 -0.000 0.000 0.252 141 K C -1.785 174.781 176.600 -0.057 0.000 0.936 141 K CA -0.660 55.599 56.287 -0.046 0.000 0.810 141 K CB 2.043 34.500 32.500 -0.073 0.000 1.143 141 K HN 0.415 nan 8.250 nan 0.000 0.427 142 L N 2.529 123.697 121.223 -0.092 0.000 2.409 142 L HA 0.528 4.868 4.340 -0.000 0.000 0.272 142 L C -1.538 175.262 176.870 -0.117 0.000 0.980 142 L CA 0.143 54.895 54.840 -0.147 0.000 0.826 142 L CB 2.350 44.282 42.059 -0.213 0.000 1.268 142 L HN 0.686 nan 8.230 nan 0.000 0.407 143 T N 5.018 119.517 114.554 -0.091 0.000 2.861 143 T HA 0.477 4.827 4.350 -0.000 0.000 0.287 143 T C -1.077 173.605 174.700 -0.030 0.000 1.003 143 T CA -0.401 61.665 62.100 -0.057 0.000 0.977 143 T CB 1.605 70.446 68.868 -0.045 0.000 0.996 143 T HN 0.545 nan 8.240 nan 0.000 0.448 144 L N 4.632 125.852 121.223 -0.004 0.000 2.315 144 L HA 0.338 4.678 4.340 -0.000 0.000 0.283 144 L C 0.549 177.425 176.870 0.010 0.000 1.089 144 L CA -0.024 54.833 54.840 0.028 0.000 0.833 144 L CB -0.162 41.934 42.059 0.062 0.000 1.170 144 L HN 0.587 nan 8.230 nan 0.000 0.442 145 I N 2.428 123.002 120.570 0.007 0.000 2.628 145 I HA 0.161 4.331 4.170 -0.000 0.000 0.255 145 I C 0.883 177.002 176.117 0.004 0.000 1.119 145 I CA 1.107 62.408 61.300 0.002 0.000 1.448 145 I CB -0.999 37.001 38.000 -0.001 0.000 1.133 145 I HN 0.805 nan 8.210 nan 0.000 0.438 146 S N 0.591 116.295 115.700 0.007 0.000 2.627 146 S HA 0.536 5.006 4.470 -0.000 0.000 0.268 146 S C -1.191 173.413 174.600 0.006 0.000 1.130 146 S CA -0.909 57.294 58.200 0.006 0.000 0.819 146 S CB 2.180 65.379 63.200 -0.001 0.000 1.100 146 S HN 0.307 nan 8.310 nan 0.000 0.465 147 E N 0.122 120.325 120.200 0.004 0.000 2.343 147 E HA 0.582 4.932 4.350 -0.000 0.000 0.278 147 E C -2.134 174.453 176.600 -0.022 0.000 0.910 147 E CA -0.763 55.637 56.400 -0.001 0.000 0.757 147 E CB 1.898 31.617 29.700 0.032 0.000 1.218 147 E HN 0.443 nan 8.360 nan 0.000 0.435 148 D N 3.333 123.708 120.400 -0.042 0.000 2.461 148 D HA 0.304 4.944 4.640 -0.000 0.000 0.240 148 D C -0.875 175.351 176.300 -0.122 0.000 1.094 148 D CA -0.479 53.480 54.000 -0.067 0.000 0.868 148 D CB 0.628 41.396 40.800 -0.054 0.000 1.062 148 D HN 0.485 nan 8.370 nan 0.000 0.530 149 I N 4.132 124.628 120.570 -0.123 0.000 2.352 149 I HA 0.192 4.362 4.170 -0.000 0.000 0.290 149 I C 0.747 176.714 176.117 -0.250 0.000 1.036 149 I CA -0.491 60.708 61.300 -0.168 0.000 1.336 149 I CB 0.613 38.552 38.000 -0.101 0.000 1.407 149 I HN 0.035 nan 8.210 nan 0.000 0.497 150 K N 3.341 123.491 120.400 -0.417 0.000 2.303 150 K HA 0.366 4.686 4.320 -0.000 0.000 0.233 150 K C 1.094 177.489 176.600 -0.342 0.000 1.046 150 K CA -0.525 55.469 56.287 -0.487 0.000 0.895 150 K CB 1.309 33.206 32.500 -1.005 0.000 1.220 150 K HN 0.582 nan 8.250 nan 0.000 0.470 151 S N -0.174 115.394 115.700 -0.219 0.000 2.370 151 S HA -0.207 4.263 4.470 -0.000 0.000 0.226 151 S C 1.597 176.201 174.600 0.007 0.000 1.033 151 S CA 1.744 59.898 58.200 -0.075 0.000 1.011 151 S CB -0.514 62.676 63.200 -0.016 0.000 0.852 151 S HN 0.684 nan 8.310 nan 0.000 0.457 152 Y N 0.093 120.311 120.300 -0.137 0.000 2.527 152 Y HA 0.587 5.136 4.550 -0.000 0.000 0.247 152 Y C 0.066 175.852 175.900 -0.190 0.000 1.138 152 Y CA -1.915 56.102 58.100 -0.139 0.000 1.228 152 Y CB -0.341 38.039 38.460 -0.133 0.000 1.252 152 Y HN 0.431 nan 8.280 nan 0.000 0.531 153 Y N -1.880 118.012 120.300 -0.680 0.000 2.609 153 Y HA 0.835 5.385 4.550 -0.000 0.000 0.336 153 Y C -1.358 174.377 175.900 -0.276 0.000 1.129 153 Y CA -1.767 56.015 58.100 -0.530 0.000 1.040 153 Y CB 1.354 39.445 38.460 -0.614 0.000 1.310 153 Y HN -0.131 nan 8.280 nan 0.000 0.460 154 T N 2.271 116.807 114.554 -0.030 0.000 2.916 154 T HA 0.603 4.952 4.350 -0.000 0.000 0.298 154 T C -1.471 173.275 174.700 0.076 0.000 1.031 154 T CA -0.707 61.352 62.100 -0.068 0.000 0.993 154 T CB 1.755 70.588 68.868 -0.058 0.000 1.045 154 T HN 0.623 nan 8.240 nan 0.000 0.454 155 V N 4.072 123.991 119.914 0.010 0.000 2.417 155 V HA 0.586 4.706 4.120 -0.000 0.000 0.291 155 V C -0.039 175.988 176.094 -0.113 0.000 1.024 155 V CA -0.843 61.406 62.300 -0.085 0.000 0.861 155 V CB 1.508 33.305 31.823 -0.043 0.000 0.985 155 V HN 0.712 nan 8.190 nan 0.000 0.436 156 R N 3.335 123.743 120.500 -0.154 0.000 2.740 156 R HA 0.579 4.919 4.340 -0.000 0.000 0.282 156 R C -0.976 175.269 176.300 -0.092 0.000 0.969 156 R CA -0.812 55.245 56.100 -0.071 0.000 0.918 156 R CB 2.418 32.714 30.300 -0.007 0.000 1.175 156 R HN 0.641 nan 8.270 nan 0.000 0.464 157 Q N 2.522 122.292 119.800 -0.049 0.000 2.340 157 Q HA 0.404 4.744 4.340 -0.000 0.000 0.259 157 Q C -0.900 175.092 176.000 -0.013 0.000 0.964 157 Q CA -0.299 55.482 55.803 -0.036 0.000 0.900 157 Q CB 1.351 30.076 28.738 -0.023 0.000 1.228 157 Q HN 0.326 nan 8.270 nan 0.000 0.449 158 L N 1.869 123.087 121.223 -0.009 0.000 2.342 158 L HA 0.525 4.865 4.340 -0.000 0.000 0.271 158 L C -0.277 176.585 176.870 -0.014 0.000 1.008 158 L CA -0.739 54.091 54.840 -0.015 0.000 0.818 158 L CB 1.984 44.026 42.059 -0.028 0.000 1.296 158 L HN 0.554 nan 8.230 nan 0.000 0.427 159 E N 2.568 122.752 120.200 -0.028 0.000 2.129 159 E HA 0.412 4.761 4.350 -0.000 0.000 0.268 159 E C -1.612 174.975 176.600 -0.022 0.000 0.900 159 E CA -0.785 55.612 56.400 -0.004 0.000 0.755 159 E CB 1.703 31.404 29.700 0.002 0.000 1.117 159 E HN 0.364 nan 8.360 nan 0.000 0.410 160 L N 4.337 125.586 121.223 0.043 0.000 2.287 160 L HA 0.446 4.786 4.340 -0.000 0.000 0.287 160 L C -0.917 176.068 176.870 0.192 0.000 1.022 160 L CA -0.171 54.711 54.840 0.069 0.000 0.814 160 L CB 1.493 43.657 42.059 0.174 0.000 1.217 160 L HN 0.636 nan 8.230 nan 0.000 0.420 161 E N 3.631 123.849 120.200 0.030 0.000 2.187 161 E HA 0.247 4.597 4.350 -0.000 0.000 0.268 161 E C -1.062 175.351 176.600 -0.310 0.000 0.896 161 E CA -0.800 55.573 56.400 -0.045 0.000 0.766 161 E CB 1.174 30.856 29.700 -0.030 0.000 1.142 161 E HN 0.620 nan 8.360 nan 0.000 0.408 162 N N 5.371 123.732 118.700 -0.566 0.000 2.415 162 N HA 0.066 4.806 4.740 -0.000 0.000 0.246 162 N C 0.818 176.151 175.510 -0.295 0.000 1.078 162 N CA 0.111 52.731 53.050 -0.717 0.000 0.942 162 N CB 0.625 38.555 38.487 -0.927 0.000 1.140 162 N HN 0.686 nan 8.380 nan 0.000 0.501 163 L N 2.244 123.339 121.223 -0.213 0.000 2.127 163 L HA -0.182 4.158 4.340 -0.000 0.000 0.211 163 L C 1.886 178.702 176.870 -0.089 0.000 1.089 163 L CA 1.115 55.885 54.840 -0.117 0.000 0.757 163 L CB -0.389 41.617 42.059 -0.087 0.000 0.899 163 L HN 0.505 nan 8.230 nan 0.000 0.434 164 T N -1.340 113.151 114.554 -0.104 0.000 2.674 164 T HA -0.171 4.179 4.350 -0.000 0.000 0.265 164 T C 1.858 176.537 174.700 -0.035 0.000 1.039 164 T CA 2.065 64.129 62.100 -0.061 0.000 1.150 164 T CB -0.341 68.492 68.868 -0.058 0.000 0.864 164 T HN 0.534 nan 8.240 nan 0.000 0.427 165 T N -1.535 112.998 114.554 -0.034 0.000 3.057 165 T HA 0.171 4.521 4.350 -0.000 0.000 0.254 165 T C 1.199 175.914 174.700 0.025 0.000 1.094 165 T CA 0.816 62.926 62.100 0.017 0.000 1.088 165 T CB -0.076 68.834 68.868 0.071 0.000 0.934 165 T HN 0.266 nan 8.240 nan 0.000 0.497 166 Q N 0.103 119.903 119.800 -0.000 0.000 2.360 166 Q HA -0.172 4.168 4.340 -0.000 0.000 0.192 166 Q C 0.007 176.043 176.000 0.061 0.000 0.615 166 Q CA 1.217 57.029 55.803 0.014 0.000 1.355 166 Q CB -1.812 26.938 28.738 0.019 0.000 1.324 166 Q HN 0.884 nan 8.270 nan 0.000 0.885 167 E N 0.653 120.924 120.200 0.119 0.000 2.392 167 E HA 0.300 4.650 4.350 -0.000 0.000 0.264 167 E C -0.262 176.515 176.600 0.296 0.000 1.024 167 E CA 0.757 57.294 56.400 0.228 0.000 0.903 167 E CB 0.627 30.550 29.700 0.372 0.000 0.963 167 E HN 0.288 nan 8.360 nan 0.000 0.432 168 T N 1.996 116.699 114.554 0.249 0.000 2.893 168 T HA 0.662 5.011 4.350 -0.000 0.000 0.291 168 T C -0.390 174.436 174.700 0.210 0.000 1.028 168 T CA -1.034 61.209 62.100 0.239 0.000 0.995 168 T CB 1.496 70.435 68.868 0.119 0.000 1.051 168 T HN 0.482 nan 8.240 nan 0.000 0.470 169 R N 0.741 121.367 120.500 0.211 0.000 2.673 169 R HA 0.451 4.791 4.340 -0.000 0.000 0.281 169 R C -0.925 175.416 176.300 0.068 0.000 0.991 169 R CA -0.866 55.284 56.100 0.083 0.000 0.896 169 R CB 2.429 32.713 30.300 -0.027 0.000 1.201 169 R HN 0.858 nan 8.270 nan 0.000 0.457 170 E N 3.992 124.208 120.200 0.026 0.000 2.194 170 E HA 0.191 4.541 4.350 -0.000 0.000 0.284 170 E C -0.614 175.994 176.600 0.014 0.000 1.035 170 E CA -0.445 55.967 56.400 0.019 0.000 0.836 170 E CB 0.709 30.414 29.700 0.009 0.000 1.070 170 E HN 0.289 nan 8.360 nan 0.000 0.401 171 I N 5.659 126.255 120.570 0.042 0.000 2.404 171 I HA 0.281 4.451 4.170 -0.000 0.000 0.293 171 I C -0.064 176.084 176.117 0.052 0.000 0.992 171 I CA -0.847 60.502 61.300 0.082 0.000 1.149 171 I CB 1.280 39.410 38.000 0.215 0.000 1.315 171 I HN 0.623 nan 8.210 nan 0.000 0.446 172 L N 5.585 126.824 121.223 0.026 0.000 2.289 172 L HA 0.397 4.737 4.340 -0.000 0.000 0.285 172 L C 0.080 176.866 176.870 -0.139 0.000 1.049 172 L CA -0.454 54.307 54.840 -0.132 0.000 0.804 172 L CB 1.067 43.021 42.059 -0.175 0.000 1.195 172 L HN 0.527 nan 8.230 nan 0.000 0.428 173 H N 3.907 122.732 119.070 -0.408 0.000 2.587 173 H HA 0.352 4.908 4.556 -0.000 0.000 0.325 173 H C -1.514 173.532 175.328 -0.469 0.000 1.012 173 H CA -0.673 55.199 56.048 -0.292 0.000 1.213 173 H CB 1.079 30.695 29.762 -0.242 0.000 1.431 173 H HN 0.377 nan 8.280 nan 0.000 0.492 174 F N 4.644 124.484 119.950 -0.183 0.000 2.308 174 F HA 0.174 4.701 4.527 -0.000 0.000 0.370 174 F C 0.385 176.200 175.800 0.024 0.000 1.100 174 F CA -0.544 57.427 58.000 -0.049 0.000 1.108 174 F CB 0.562 39.456 39.000 -0.177 0.000 1.293 174 F HN 0.542 nan 8.300 nan 0.000 0.478 175 H N 3.584 122.655 119.070 0.002 0.000 2.623 175 H HA 0.203 4.759 4.556 -0.000 0.000 0.299 175 H C -1.258 174.110 175.328 0.067 0.000 1.052 175 H CA -0.903 55.084 56.048 -0.102 0.000 1.231 175 H CB 0.655 30.258 29.762 -0.265 0.000 1.389 175 H HN 0.587 nan 8.280 nan 0.000 0.469 176 Y N 4.947 125.255 120.300 0.012 0.000 2.452 176 Y HA 0.021 4.571 4.550 -0.000 0.000 0.348 176 Y C 1.196 177.070 175.900 -0.044 0.000 0.985 176 Y CA -0.118 57.836 58.100 -0.244 0.000 1.214 176 Y CB 0.946 39.057 38.460 -0.582 0.000 1.136 176 Y HN 0.723 nan 8.280 nan 0.000 0.523 177 T N -1.471 113.084 114.554 0.002 0.000 3.060 177 T HA 0.002 4.352 4.350 -0.000 0.000 0.249 177 T C 0.823 175.627 174.700 0.173 0.000 1.079 177 T CA 0.689 62.784 62.100 -0.009 0.000 1.013 177 T CB -0.293 68.449 68.868 -0.210 0.000 0.975 177 T HN 0.611 nan 8.240 nan 0.000 0.518 178 T N -1.983 112.780 114.554 0.348 0.000 3.355 178 T HA 0.280 4.630 4.350 -0.000 0.000 0.276 178 T C -0.765 174.176 174.700 0.402 0.000 1.003 178 T CA -0.827 61.464 62.100 0.318 0.000 0.943 178 T CB -0.446 68.567 68.868 0.243 0.000 1.158 178 T HN 0.377 nan 8.240 nan 0.000 0.513 179 W N 4.738 126.127 121.300 0.148 0.000 2.299 179 W HA 0.445 5.105 4.660 -0.000 0.000 0.319 179 W C -2.821 173.656 176.519 -0.069 0.000 1.008 179 W CA -3.439 53.854 57.345 -0.088 0.000 1.384 179 W CB 1.328 30.569 29.460 -0.366 0.000 1.220 179 W HN 0.124 nan 8.180 nan 0.000 0.402 180 P HA -0.041 nan 4.420 nan 0.000 0.269 180 P C -0.052 177.313 177.300 0.108 0.000 1.215 180 P CA 0.150 63.348 63.100 0.162 0.000 0.780 180 P CB 1.190 32.964 31.700 0.124 0.000 0.898 181 D N 1.259 121.689 120.400 0.050 0.000 2.455 181 D HA 0.021 4.661 4.640 -0.000 0.000 0.241 181 D C 0.424 176.774 176.300 0.083 0.000 1.138 181 D CA 0.124 54.101 54.000 -0.039 0.000 0.877 181 D CB -0.384 40.442 40.800 0.044 0.000 1.187 181 D HN 0.285 nan 8.370 nan 0.000 0.451 182 F N -0.344 119.576 119.950 -0.051 0.000 3.069 182 F HA -0.214 4.312 4.527 -0.000 0.000 0.285 182 F C 1.054 176.851 175.800 -0.005 0.000 0.827 182 F CA 1.039 59.017 58.000 -0.036 0.000 1.108 182 F CB -1.475 37.506 39.000 -0.032 0.000 1.252 182 F HN 0.365 nan 8.300 nan 0.000 0.483 183 G N -0.885 107.988 108.800 0.122 0.000 3.209 183 G HA2 0.797 4.757 3.960 -0.000 0.000 0.236 183 G HA3 0.797 4.757 3.960 -0.000 0.000 0.236 183 G C -0.676 174.320 174.900 0.160 0.000 1.329 183 G CA -0.068 45.105 45.100 0.121 0.000 1.015 183 G HN 0.718 nan 8.290 nan 0.000 0.571 184 V N -3.324 116.534 119.914 -0.094 0.000 3.102 184 V HA 0.799 4.919 4.120 -0.000 0.000 0.312 184 V C -2.883 172.619 176.094 -0.986 0.000 1.135 184 V CA -2.419 59.523 62.300 -0.597 0.000 1.022 184 V CB 1.613 33.052 31.823 -0.639 0.000 1.056 184 V HN 0.543 nan 8.190 nan 0.000 0.436 185 P HA 0.209 nan 4.420 nan 0.000 0.271 185 P C 0.748 177.706 177.300 -0.570 0.000 1.233 185 P CA 0.011 62.418 63.100 -1.156 0.000 0.789 185 P CB 0.591 31.541 31.700 -1.250 0.000 0.951 186 E N 0.467 120.498 120.200 -0.281 0.000 2.118 186 E HA -0.130 4.220 4.350 -0.000 0.000 0.195 186 E C -0.038 176.501 176.600 -0.101 0.000 0.992 186 E CA 1.099 57.402 56.400 -0.160 0.000 0.804 186 E CB 0.102 29.720 29.700 -0.136 0.000 0.741 186 E HN 0.534 nan 8.360 nan 0.000 0.458 187 S N -2.961 112.704 115.700 -0.059 0.000 2.595 187 S HA 0.246 4.716 4.470 -0.000 0.000 0.270 187 S C -2.609 172.114 174.600 0.205 0.000 1.145 187 S CA -1.180 57.066 58.200 0.077 0.000 0.825 187 S CB 1.630 64.837 63.200 0.013 0.000 1.107 187 S HN -0.244 nan 8.310 nan 0.000 0.461 188 P HA -0.027 nan 4.420 nan 0.000 0.215 188 P C 1.692 178.941 177.300 -0.086 0.000 1.153 188 P CA 2.354 65.437 63.100 -0.030 0.000 0.853 188 P CB -0.193 31.365 31.700 -0.238 0.000 0.788 189 A N 0.114 122.875 122.820 -0.098 0.000 1.883 189 A HA -0.234 4.085 4.320 -0.000 0.000 0.217 189 A C 2.424 179.974 177.584 -0.058 0.000 1.186 189 A CA 2.653 54.604 52.037 -0.144 0.000 0.624 189 A CB -1.710 17.348 19.000 0.097 0.000 0.822 189 A HN 0.348 nan 8.150 nan 0.000 0.444 190 S N -1.137 114.555 115.700 -0.014 0.000 2.368 190 S HA -0.175 4.295 4.470 -0.000 0.000 0.225 190 S C 1.865 176.598 174.600 0.221 0.000 1.030 190 S CA 1.467 59.636 58.200 -0.052 0.000 0.999 190 S CB -0.766 62.202 63.200 -0.386 0.000 0.844 190 S HN 0.595 nan 8.310 nan 0.000 0.459 191 F N 2.570 122.581 119.950 0.102 0.000 2.075 191 F HA 0.096 4.623 4.527 -0.000 0.000 0.297 191 F C 1.951 177.849 175.800 0.163 0.000 1.113 191 F CA 1.323 59.428 58.000 0.174 0.000 1.218 191 F CB -0.504 38.563 39.000 0.111 0.000 0.984 191 F HN 0.146 nan 8.300 nan 0.000 0.472 192 L N 0.322 121.429 121.223 -0.193 0.000 2.083 192 L HA -0.230 4.110 4.340 -0.000 0.000 0.209 192 L C 2.261 179.004 176.870 -0.212 0.000 1.083 192 L CA 1.587 56.169 54.840 -0.431 0.000 0.752 192 L CB -0.974 40.453 42.059 -1.054 0.000 0.899 192 L HN 0.272 nan 8.230 nan 0.000 0.433 193 N N 0.402 119.057 118.700 -0.075 0.000 2.069 193 N HA -0.280 4.460 4.740 -0.000 0.000 0.191 193 N C 1.771 177.310 175.510 0.048 0.000 1.031 193 N CA 1.536 54.663 53.050 0.129 0.000 0.852 193 N CB -0.256 38.393 38.487 0.269 0.000 1.018 193 N HN 0.247 nan 8.380 nan 0.000 0.423 194 F N 0.536 120.373 119.950 -0.188 0.000 2.075 194 F HA -0.086 4.441 4.527 -0.000 0.000 0.297 194 F C 2.067 177.700 175.800 -0.278 0.000 1.113 194 F CA 1.103 58.874 58.000 -0.381 0.000 1.218 194 F CB -0.756 38.120 39.000 -0.207 0.000 0.984 194 F HN 0.172 nan 8.300 nan 0.000 0.472 195 L N -0.199 120.881 121.223 -0.239 0.000 2.013 195 L HA -0.226 4.114 4.340 -0.000 0.000 0.212 195 L C 2.018 178.602 176.870 -0.476 0.000 1.073 195 L CA 1.986 56.579 54.840 -0.412 0.000 0.753 195 L CB -1.262 40.410 42.059 -0.644 0.000 0.890 195 L HN 0.151 nan 8.230 nan 0.000 0.432 196 F N -0.337 119.411 119.950 -0.336 0.000 2.502 196 F HA -0.091 4.436 4.527 -0.000 0.000 0.298 196 F C 2.389 178.041 175.800 -0.246 0.000 1.111 196 F CA 1.222 59.066 58.000 -0.260 0.000 1.445 196 F CB -0.390 38.491 39.000 -0.200 0.000 1.081 196 F HN 0.104 nan 8.300 nan 0.000 0.558 197 K N 0.388 120.672 120.400 -0.192 0.000 2.062 197 K HA -0.067 4.253 4.320 -0.000 0.000 0.205 197 K C 1.930 178.279 176.600 -0.418 0.000 1.051 197 K CA 1.071 57.236 56.287 -0.204 0.000 0.941 197 K CB -0.460 31.895 32.500 -0.241 0.000 0.719 197 K HN 0.069 nan 8.250 nan 0.000 0.440 198 V N 0.941 120.370 119.914 -0.807 0.000 2.307 198 V HA -0.216 3.904 4.120 -0.000 0.000 0.245 198 V C 2.329 178.096 176.094 -0.544 0.000 1.045 198 V CA 1.923 63.533 62.300 -1.150 0.000 1.024 198 V CB -0.473 30.739 31.823 -1.018 0.000 0.651 198 V HN 0.290 nan 8.190 nan 0.000 0.449 199 R N 0.075 120.326 120.500 -0.416 0.000 2.080 199 R HA -0.201 4.138 4.340 -0.000 0.000 0.236 199 R C 2.311 178.523 176.300 -0.147 0.000 1.137 199 R CA 1.979 57.908 56.100 -0.285 0.000 0.943 199 R CB -0.390 29.665 30.300 -0.409 0.000 0.846 199 R HN 0.613 nan 8.270 nan 0.000 0.431 200 E N 0.276 120.415 120.200 -0.101 0.000 2.265 200 E HA -0.142 4.208 4.350 -0.000 0.000 0.196 200 E C 1.889 178.501 176.600 0.020 0.000 0.996 200 E CA 1.319 57.718 56.400 -0.002 0.000 0.832 200 E CB 0.003 29.730 29.700 0.045 0.000 0.756 200 E HN 0.353 nan 8.360 nan 0.000 0.491 201 S N -0.741 114.962 115.700 0.005 0.000 2.481 201 S HA 0.021 4.491 4.470 -0.000 0.000 0.231 201 S C 1.761 176.417 174.600 0.094 0.000 0.996 201 S CA 0.699 58.958 58.200 0.098 0.000 0.942 201 S CB 0.158 63.510 63.200 0.254 0.000 0.768 201 S HN 0.388 nan 8.310 nan 0.000 0.520 202 G N 0.315 109.149 108.800 0.056 0.000 2.195 202 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.246 202 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.246 202 G C 1.044 176.036 174.900 0.154 0.000 0.984 202 G CA 0.493 45.654 45.100 0.101 0.000 0.633 202 G HN 0.578 nan 8.290 nan 0.000 0.525 203 S N 0.004 115.755 115.700 0.085 0.000 2.400 203 S HA 0.003 4.473 4.470 -0.000 0.000 0.232 203 S C 2.040 176.683 174.600 0.073 0.000 1.025 203 S CA 1.396 59.636 58.200 0.067 0.000 0.993 203 S CB -0.182 63.073 63.200 0.092 0.000 0.808 203 S HN 0.527 nan 8.310 nan 0.000 0.478 204 L N 1.295 122.528 121.223 0.016 0.000 2.591 204 L HA 0.180 4.520 4.340 -0.000 0.000 0.228 204 L C 1.054 177.911 176.870 -0.022 0.000 1.133 204 L CA -0.259 54.566 54.840 -0.025 0.000 0.880 204 L CB -0.298 41.714 42.059 -0.079 0.000 1.033 204 L HN 0.141 nan 8.230 nan 0.000 0.450 205 S N 1.504 117.232 115.700 0.047 0.000 2.560 205 S HA 0.095 4.565 4.470 -0.000 0.000 0.284 205 S C -1.032 173.526 174.600 -0.070 0.000 1.327 205 S CA -1.091 57.095 58.200 -0.024 0.000 1.055 205 S CB 0.730 63.893 63.200 -0.061 0.000 0.868 205 S HN 0.068 nan 8.310 nan 0.000 0.506 206 P HA -0.075 nan 4.420 nan 0.000 0.234 206 P C 0.772 177.996 177.300 -0.127 0.000 1.167 206 P CA 0.717 63.755 63.100 -0.103 0.000 0.763 206 P CB -0.157 31.488 31.700 -0.092 0.000 0.835 207 E N -1.270 118.802 120.200 -0.213 0.000 2.208 207 E HA -0.118 4.232 4.350 -0.000 0.000 0.193 207 E C 0.657 177.097 176.600 -0.267 0.000 0.988 207 E CA 0.490 56.727 56.400 -0.272 0.000 0.828 207 E CB -0.474 28.998 29.700 -0.380 0.000 0.763 207 E HN 0.342 nan 8.360 nan 0.000 0.478 208 H N 0.518 119.554 119.070 -0.058 0.000 2.523 208 H HA 0.431 4.987 4.556 -0.000 0.000 0.345 208 H C 0.621 175.903 175.328 -0.076 0.000 1.261 208 H CA -0.153 55.856 56.048 -0.064 0.000 1.343 208 H CB 0.737 30.469 29.762 -0.051 0.000 1.650 208 H HN 0.168 nan 8.280 nan 0.000 0.591 209 G N 0.166 109.007 108.800 0.068 0.000 2.621 209 G HA2 0.249 4.209 3.960 -0.000 0.000 0.271 209 G HA3 0.249 4.209 3.960 -0.000 0.000 0.271 209 G C -2.393 172.493 174.900 -0.023 0.000 1.236 209 G CA -1.052 44.039 45.100 -0.015 0.000 0.958 209 G HN 0.316 nan 8.290 nan 0.000 0.512 210 P HA 0.126 nan 4.420 nan 0.000 0.268 210 P C 0.246 177.524 177.300 -0.037 0.000 1.205 210 P CA -0.390 62.667 63.100 -0.071 0.000 0.771 210 P CB 1.019 32.672 31.700 -0.080 0.000 0.858 211 V N 4.840 124.752 119.914 -0.004 0.000 2.843 211 V HA 0.048 4.168 4.120 -0.000 0.000 0.305 211 V C -0.241 175.888 176.094 0.059 0.000 1.065 211 V CA 0.013 62.344 62.300 0.051 0.000 1.116 211 V CB 0.752 32.645 31.823 0.117 0.000 0.968 211 V HN 0.156 nan 8.190 nan 0.000 0.487 212 V N 7.287 127.219 119.914 0.030 0.000 2.383 212 V HA 0.391 4.510 4.120 -0.000 0.000 0.275 212 V C -0.055 176.084 176.094 0.075 0.000 1.036 212 V CA -0.299 62.000 62.300 -0.003 0.000 0.889 212 V CB 1.403 33.135 31.823 -0.152 0.000 0.985 212 V HN 0.696 nan 8.190 nan 0.000 0.459 213 V N 5.675 125.629 119.914 0.066 0.000 2.513 213 V HA 0.693 4.813 4.120 -0.000 0.000 0.299 213 V C -0.444 175.676 176.094 0.043 0.000 1.035 213 V CA -0.559 61.737 62.300 -0.006 0.000 0.889 213 V CB 1.668 33.471 31.823 -0.033 0.000 0.988 213 V HN 1.179 nan 8.190 nan 0.000 0.440 214 H N 1.889 120.911 119.070 -0.079 0.000 3.017 214 H HA 0.831 5.387 4.556 -0.000 0.000 0.346 214 H C -0.356 174.894 175.328 -0.129 0.000 1.286 214 H CA -0.294 55.706 56.048 -0.079 0.000 1.120 214 H CB 1.361 31.107 29.762 -0.028 0.000 1.860 214 H HN 0.795 nan 8.280 nan 0.000 0.542 215 C N -0.349 118.916 119.300 -0.059 0.000 4.405 215 C HA 0.641 5.101 4.460 -0.000 0.000 0.246 215 C C 1.857 176.906 174.990 0.099 0.000 4.244 215 C CA 0.228 59.161 59.018 -0.142 0.000 1.736 215 C CB 0.912 28.458 27.740 -0.323 0.000 5.064 215 C HN 0.833 nan 8.230 nan 0.000 0.503 216 S N 0.276 115.988 115.700 0.020 0.000 2.356 216 S HA 0.189 4.659 4.470 -0.000 0.000 0.219 216 S C 1.829 176.567 174.600 0.230 0.000 1.036 216 S CA 1.456 59.743 58.200 0.145 0.000 0.965 216 S CB -0.665 62.633 63.200 0.163 0.000 0.864 216 S HN 1.091 nan 8.310 nan 0.000 0.471 217 A N -0.460 122.437 122.820 0.128 0.000 2.195 217 A HA 0.520 4.840 4.320 -0.000 0.000 0.210 217 A C 1.516 179.124 177.584 0.040 0.000 1.165 217 A CA 0.864 52.986 52.037 0.141 0.000 0.806 217 A CB -0.705 18.233 19.000 -0.103 0.000 0.847 217 A HN 1.337 nan 8.150 nan 0.000 0.482 218 G N -0.120 108.672 108.800 -0.014 0.000 2.198 218 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.257 218 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.257 218 G C 0.625 175.484 174.900 -0.067 0.000 1.042 218 G CA 0.900 45.983 45.100 -0.029 0.000 0.791 218 G HN 1.367 nan 8.290 nan 0.000 0.502 219 I N -5.179 115.324 120.570 -0.112 0.000 4.547 219 I HA 0.440 4.610 4.170 -0.000 0.000 0.303 219 I C 1.917 177.959 176.117 -0.124 0.000 1.188 219 I CA 0.848 62.090 61.300 -0.096 0.000 1.320 219 I CB -0.402 37.556 38.000 -0.069 0.000 1.495 219 I HN 0.059 nan 8.210 nan 0.000 0.462 220 G N 1.857 110.525 108.800 -0.219 0.000 2.547 220 G HA2 -0.038 3.921 3.960 -0.000 0.000 0.214 220 G HA3 -0.038 3.921 3.960 -0.000 0.000 0.214 220 G C 1.649 176.379 174.900 -0.283 0.000 1.254 220 G CA 0.693 45.644 45.100 -0.247 0.000 0.817 220 G HN 0.217 nan 8.290 nan 0.000 0.551 221 R N 0.312 120.509 120.500 -0.505 0.000 2.066 221 R HA 0.000 4.340 4.340 -0.000 0.000 0.232 221 R C 3.060 179.026 176.300 -0.557 0.000 1.131 221 R CA 1.427 57.006 56.100 -0.869 0.000 0.955 221 R CB -0.463 28.983 30.300 -1.422 0.000 0.851 221 R HN 0.291 nan 8.270 nan 0.000 0.432 222 S N 0.078 115.554 115.700 -0.373 0.000 2.370 222 S HA -0.139 4.330 4.470 -0.000 0.000 0.226 222 S C 2.017 176.589 174.600 -0.047 0.000 1.033 222 S CA 1.439 59.529 58.200 -0.183 0.000 1.011 222 S CB -0.482 62.632 63.200 -0.142 0.000 0.852 222 S HN 0.641 nan 8.310 nan 0.000 0.457 223 G N 0.913 109.675 108.800 -0.063 0.000 2.408 223 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.217 223 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.217 223 G C 1.436 176.358 174.900 0.036 0.000 1.150 223 G CA 1.367 46.462 45.100 -0.009 0.000 0.776 223 G HN 0.486 nan 8.290 nan 0.000 0.542 224 T N 0.669 115.262 114.554 0.065 0.000 2.777 224 T HA -0.106 4.243 4.350 -0.000 0.000 0.266 224 T C 1.910 176.722 174.700 0.186 0.000 1.040 224 T CA 1.077 63.261 62.100 0.140 0.000 1.141 224 T CB -0.284 68.759 68.868 0.291 0.000 0.868 224 T HN 0.266 nan 8.240 nan 0.000 0.444 225 F N 1.334 121.394 119.950 0.183 0.000 2.102 225 F HA -0.168 4.359 4.527 -0.000 0.000 0.298 225 F C 2.396 178.274 175.800 0.130 0.000 1.105 225 F CA 0.962 59.177 58.000 0.359 0.000 1.239 225 F CB -0.599 38.586 39.000 0.309 0.000 0.991 225 F HN 0.158 nan 8.300 nan 0.000 0.474 226 C N 0.054 119.372 119.300 0.029 0.000 2.440 226 C HA -0.082 4.378 4.460 -0.000 0.000 0.278 226 C C 2.632 177.467 174.990 -0.259 0.000 1.295 226 C CA 0.690 59.474 59.018 -0.390 0.000 1.738 226 C CB -1.396 25.978 27.740 -0.610 0.000 1.987 226 C HN 0.652 nan 8.230 nan 0.000 0.492 227 L N 2.122 123.282 121.223 -0.106 0.000 2.017 227 L HA -0.057 4.283 4.340 -0.000 0.000 0.208 227 L C 2.570 179.403 176.870 -0.062 0.000 1.073 227 L CA 2.454 57.264 54.840 -0.050 0.000 0.745 227 L CB -0.939 41.117 42.059 -0.004 0.000 0.894 227 L HN 0.260 nan 8.230 nan 0.000 0.432 228 A N -0.758 122.016 122.820 -0.076 0.000 1.877 228 A HA -0.277 4.043 4.320 -0.000 0.000 0.216 228 A C 2.106 179.660 177.584 -0.051 0.000 1.186 228 A CA 1.863 53.863 52.037 -0.061 0.000 0.620 228 A CB -1.127 17.848 19.000 -0.041 0.000 0.822 228 A HN 0.587 nan 8.150 nan 0.000 0.443 229 D N -1.081 119.238 120.400 -0.135 0.000 2.104 229 D HA -0.125 4.515 4.640 -0.000 0.000 0.194 229 D C 1.946 178.227 176.300 -0.031 0.000 0.994 229 D CA 2.058 55.959 54.000 -0.164 0.000 0.830 229 D CB -0.212 40.421 40.800 -0.278 0.000 0.959 229 D HN 0.349 nan 8.370 nan 0.000 0.452 230 T N -1.006 113.559 114.554 0.019 0.000 2.708 230 T HA -0.152 4.198 4.350 -0.000 0.000 0.266 230 T C 2.200 176.920 174.700 0.034 0.000 1.037 230 T CA 1.297 63.443 62.100 0.077 0.000 1.146 230 T CB -0.617 68.317 68.868 0.110 0.000 0.865 230 T HN 0.301 nan 8.240 nan 0.000 0.435 231 C N 1.011 120.315 119.300 0.006 0.000 2.425 231 C HA 0.046 4.506 4.460 -0.000 0.000 0.277 231 C C 2.692 177.692 174.990 0.015 0.000 1.280 231 C CA 0.368 59.385 59.018 -0.001 0.000 1.744 231 C CB -1.405 26.312 27.740 -0.039 0.000 1.989 231 C HN 0.515 nan 8.230 nan 0.000 0.491 232 L N -0.269 120.967 121.223 0.022 0.000 2.083 232 L HA -0.142 4.198 4.340 -0.000 0.000 0.209 232 L C 2.529 179.438 176.870 0.066 0.000 1.083 232 L CA 0.857 55.736 54.840 0.064 0.000 0.752 232 L CB -0.541 41.568 42.059 0.083 0.000 0.899 232 L HN 0.284 nan 8.230 nan 0.000 0.433 233 L N -0.391 120.853 121.223 0.034 0.000 2.046 233 L HA -0.193 4.147 4.340 -0.000 0.000 0.208 233 L C 2.307 179.198 176.870 0.035 0.000 1.077 233 L CA 1.732 56.589 54.840 0.029 0.000 0.747 233 L CB -0.502 41.565 42.059 0.013 0.000 0.896 233 L HN 0.128 nan 8.230 nan 0.000 0.432 234 L N -1.879 119.364 121.223 0.033 0.000 2.093 234 L HA -0.231 4.109 4.340 -0.000 0.000 0.208 234 L C 2.502 179.393 176.870 0.034 0.000 1.085 234 L CA 1.145 56.004 54.840 0.031 0.000 0.755 234 L CB -0.403 41.674 42.059 0.030 0.000 0.904 234 L HN 0.287 nan 8.230 nan 0.000 0.435 235 M N -0.646 118.979 119.600 0.041 0.000 2.117 235 M HA -0.238 4.242 4.480 -0.000 0.000 0.262 235 M C 1.829 178.160 176.300 0.051 0.000 1.065 235 M CA 1.815 57.143 55.300 0.046 0.000 1.114 235 M CB -0.569 32.066 32.600 0.059 0.000 1.361 235 M HN 0.173 nan 8.290 nan 0.000 0.408 236 D N 0.332 120.770 120.400 0.063 0.000 2.219 236 D HA -0.113 4.527 4.640 -0.000 0.000 0.205 236 D C 1.916 178.239 176.300 0.039 0.000 0.970 236 D CA 1.154 55.191 54.000 0.061 0.000 0.851 236 D CB 0.210 41.063 40.800 0.087 0.000 0.943 236 D HN 0.185 nan 8.370 nan 0.000 0.488 237 K N -0.364 120.056 120.400 0.033 0.000 1.991 237 K HA 0.041 4.360 4.320 -0.000 0.000 0.208 237 K C 0.670 177.282 176.600 0.020 0.000 1.038 237 K CA 0.367 56.668 56.287 0.023 0.000 0.943 237 K CB 0.172 32.684 32.500 0.020 0.000 0.736 237 K HN -0.006 nan 8.250 nan 0.000 0.440 238 R N 1.044 121.557 120.500 0.022 0.000 2.905 238 R HA -0.025 4.315 4.340 -0.000 0.000 0.273 238 R C 1.008 177.318 176.300 0.017 0.000 1.033 238 R CA 0.043 56.154 56.100 0.019 0.000 1.182 238 R CB 0.203 30.516 30.300 0.021 0.000 1.097 238 R HN 0.068 nan 8.270 nan 0.000 0.504 239 K N 0.913 121.322 120.400 0.015 0.000 2.459 239 K HA -0.014 4.306 4.320 -0.000 0.000 0.193 239 K C -0.189 176.419 176.600 0.014 0.000 1.030 239 K CA 0.599 56.893 56.287 0.012 0.000 1.026 239 K CB -0.121 32.385 32.500 0.010 0.000 0.809 239 K HN 0.498 nan 8.250 nan 0.000 0.504 240 D N 0.213 120.623 120.400 0.017 0.000 2.411 240 D HA 0.123 4.762 4.640 -0.000 0.000 0.239 240 D C -1.987 174.326 176.300 0.023 0.000 1.307 240 D CA -1.610 52.401 54.000 0.019 0.000 0.930 240 D CB 1.325 42.136 40.800 0.018 0.000 1.395 240 D HN -0.229 nan 8.370 nan 0.000 0.536 241 P HA -0.244 nan 4.420 nan 0.000 0.218 241 P C 1.264 178.582 177.300 0.029 0.000 1.146 241 P CA 1.096 64.214 63.100 0.029 0.000 0.820 241 P CB 0.090 31.811 31.700 0.034 0.000 0.778 242 S N 0.053 115.771 115.700 0.030 0.000 2.447 242 S HA -0.113 4.357 4.470 -0.000 0.000 0.233 242 S C 2.079 176.700 174.600 0.034 0.000 1.006 242 S CA 1.317 59.538 58.200 0.035 0.000 0.957 242 S CB -1.459 61.762 63.200 0.035 0.000 0.773 242 S HN 0.358 nan 8.310 nan 0.000 0.507 243 S N 1.090 116.808 115.700 0.029 0.000 2.447 243 S HA 0.063 4.533 4.470 -0.000 0.000 0.233 243 S C 0.709 175.325 174.600 0.027 0.000 1.006 243 S CA 0.225 58.442 58.200 0.028 0.000 0.957 243 S CB -0.965 62.250 63.200 0.025 0.000 0.773 243 S HN 0.340 nan 8.310 nan 0.000 0.507 244 V N 3.564 123.491 119.914 0.022 0.000 2.458 244 V HA 0.131 4.251 4.120 -0.000 0.000 0.287 244 V C 0.194 176.290 176.094 0.003 0.000 1.009 244 V CA 0.099 62.406 62.300 0.012 0.000 1.091 244 V CB 0.234 32.058 31.823 0.002 0.000 0.960 244 V HN 0.382 nan 8.190 nan 0.000 0.476 245 D N 4.733 125.140 120.400 0.011 0.000 2.443 245 D HA 0.167 4.807 4.640 -0.000 0.000 0.221 245 D C 0.915 177.210 176.300 -0.008 0.000 1.097 245 D CA -0.341 53.669 54.000 0.016 0.000 0.865 245 D CB 1.138 41.962 40.800 0.040 0.000 1.034 245 D HN 0.539 nan 8.370 nan 0.000 0.511 246 I N 3.694 124.212 120.570 -0.087 0.000 2.335 246 I HA -0.256 3.914 4.170 -0.000 0.000 0.251 246 I C 1.606 177.723 176.117 -0.000 0.000 1.129 246 I CA 1.145 62.370 61.300 -0.126 0.000 1.402 246 I CB 0.285 38.038 38.000 -0.412 0.000 1.069 246 I HN 0.231 nan 8.210 nan 0.000 0.424 247 K N 0.670 121.112 120.400 0.070 0.000 2.097 247 K HA -0.153 4.167 4.320 -0.000 0.000 0.205 247 K C 2.084 178.744 176.600 0.100 0.000 1.050 247 K CA 1.245 57.611 56.287 0.133 0.000 0.938 247 K CB -0.097 32.503 32.500 0.168 0.000 0.718 247 K HN 0.377 nan 8.250 nan 0.000 0.442 248 K N 0.677 121.123 120.400 0.077 0.000 2.103 248 K HA -0.059 4.261 4.320 -0.000 0.000 0.204 248 K C 2.082 178.732 176.600 0.082 0.000 1.052 248 K CA 0.914 57.245 56.287 0.073 0.000 0.945 248 K CB -0.007 32.529 32.500 0.060 0.000 0.722 248 K HN -0.071 nan 8.250 nan 0.000 0.443 249 V N 1.702 121.659 119.914 0.072 0.000 2.358 249 V HA -0.226 3.894 4.120 -0.000 0.000 0.246 249 V C 2.167 178.326 176.094 0.107 0.000 1.047 249 V CA 1.306 63.656 62.300 0.082 0.000 1.035 249 V CB -0.370 31.483 31.823 0.051 0.000 0.658 249 V HN 0.247 nan 8.190 nan 0.000 0.452 250 L N -0.274 121.011 121.223 0.103 0.000 2.046 250 L HA -0.111 4.229 4.340 -0.000 0.000 0.208 250 L C 2.180 179.135 176.870 0.142 0.000 1.077 250 L CA 1.820 56.735 54.840 0.126 0.000 0.747 250 L CB -0.599 41.545 42.059 0.143 0.000 0.896 250 L HN 0.195 nan 8.230 nan 0.000 0.432 251 L N -0.585 120.714 121.223 0.126 0.000 2.083 251 L HA -0.204 4.136 4.340 -0.000 0.000 0.209 251 L C 2.562 179.516 176.870 0.139 0.000 1.083 251 L CA 1.408 56.318 54.840 0.116 0.000 0.752 251 L CB -0.504 41.607 42.059 0.086 0.000 0.899 251 L HN 0.364 nan 8.230 nan 0.000 0.433 252 E N 0.535 120.828 120.200 0.155 0.000 2.047 252 E HA -0.221 4.128 4.350 -0.000 0.000 0.191 252 E C 2.215 179.012 176.600 0.329 0.000 0.987 252 E CA 1.538 58.062 56.400 0.206 0.000 0.799 252 E CB -0.139 29.682 29.700 0.202 0.000 0.752 252 E HN 0.327 nan 8.360 nan 0.000 0.449 253 M N -0.284 119.501 119.600 0.308 0.000 2.159 253 M HA -0.075 4.405 4.480 -0.000 0.000 0.263 253 M C 2.196 178.731 176.300 0.392 0.000 1.063 253 M CA 1.345 56.875 55.300 0.384 0.000 1.110 253 M CB -0.183 32.550 32.600 0.222 0.000 1.374 253 M HN -0.013 nan 8.290 nan 0.000 0.411 254 R N 0.405 121.071 120.500 0.276 0.000 2.357 254 R HA -0.073 4.267 4.340 -0.000 0.000 0.202 254 R C 1.671 178.198 176.300 0.378 0.000 1.047 254 R CA 0.693 56.962 56.100 0.281 0.000 1.034 254 R CB -0.125 30.296 30.300 0.202 0.000 0.875 254 R HN 0.423 nan 8.270 nan 0.000 0.473 255 K N -0.669 119.889 120.400 0.263 0.000 2.296 255 K HA -0.043 4.277 4.320 -0.000 0.000 0.200 255 K C 0.989 177.684 176.600 0.159 0.000 1.048 255 K CA 0.984 57.362 56.287 0.152 0.000 0.966 255 K CB 0.185 32.537 32.500 -0.247 0.000 0.754 255 K HN 0.119 nan 8.250 nan 0.000 0.466 256 F N 0.061 120.297 119.950 0.477 0.000 2.582 256 F HA 0.211 4.738 4.527 -0.000 0.000 0.290 256 F C 0.806 176.743 175.800 0.228 0.000 1.115 256 F CA -0.138 58.075 58.000 0.355 0.000 1.445 256 F CB 0.519 39.639 39.000 0.201 0.000 1.126 256 F HN -0.220 nan 8.300 nan 0.000 0.574 257 R N 0.871 121.538 120.500 0.278 0.000 2.561 257 R HA 0.390 4.730 4.340 -0.000 0.000 0.266 257 R C -0.790 175.398 176.300 -0.186 0.000 1.091 257 R CA -0.730 55.256 56.100 -0.190 0.000 0.927 257 R CB 1.496 31.756 30.300 -0.067 0.000 1.240 257 R HN 0.094 nan 8.270 nan 0.000 0.449 258 M N 1.726 121.018 119.600 -0.514 0.000 2.226 258 M HA 0.368 4.848 4.480 -0.000 0.000 0.324 258 M C 0.931 177.206 176.300 -0.041 0.000 1.112 258 M CA 1.131 56.336 55.300 -0.159 0.000 1.176 258 M CB 0.622 33.115 32.600 -0.178 0.000 1.430 258 M HN 0.794 nan 8.290 nan 0.000 0.462 259 G N 2.007 110.830 108.800 0.039 0.000 2.233 259 G HA2 -0.223 3.736 3.960 -0.000 0.000 0.270 259 G HA3 -0.223 3.736 3.960 -0.000 0.000 0.270 259 G C -0.085 174.857 174.900 0.070 0.000 1.011 259 G CA 0.219 45.354 45.100 0.058 0.000 0.762 259 G HN 0.767 nan 8.290 nan 0.000 0.511 260 L N 0.610 121.879 121.223 0.077 0.000 2.534 260 L HA 0.315 4.655 4.340 -0.000 0.000 0.271 260 L C 0.980 177.925 176.870 0.125 0.000 1.178 260 L CA -0.245 54.639 54.840 0.073 0.000 0.907 260 L CB 0.144 42.254 42.059 0.084 0.000 1.164 260 L HN 0.275 nan 8.230 nan 0.000 0.482 261 I N 3.297 123.921 120.570 0.091 0.000 7.439 261 I HA -0.196 3.974 4.170 -0.000 0.000 0.126 261 I C 0.560 176.794 176.117 0.195 0.000 1.840 261 I CA 0.206 61.581 61.300 0.124 0.000 2.037 261 I CB -0.538 37.590 38.000 0.212 0.000 3.653 261 I HN 0.874 nan 8.210 nan 0.000 0.169 262 Q N 2.585 122.434 119.800 0.080 0.000 2.319 262 Q HA 0.156 4.496 4.340 -0.000 0.000 0.209 262 Q C 0.930 177.006 176.000 0.127 0.000 0.884 262 Q CA 1.036 56.942 55.803 0.171 0.000 0.938 262 Q CB 1.262 30.042 28.738 0.069 0.000 1.098 262 Q HN 0.881 nan 8.270 nan 0.000 0.517 263 T N -5.309 109.119 114.554 -0.210 0.000 2.883 263 T HA 0.631 4.981 4.350 -0.000 0.000 0.301 263 T C 0.735 174.932 174.700 -0.838 0.000 1.158 263 T CA -0.196 61.678 62.100 -0.376 0.000 1.007 263 T CB 1.655 70.474 68.868 -0.082 0.000 1.186 263 T HN -0.103 nan 8.240 nan 0.000 0.499 264 A N 0.610 123.014 122.820 -0.694 0.000 1.972 264 A HA -0.008 4.311 4.320 -0.000 0.000 0.219 264 A C 1.834 179.281 177.584 -0.230 0.000 1.169 264 A CA 2.056 53.849 52.037 -0.406 0.000 0.635 264 A CB -1.147 17.869 19.000 0.027 0.000 0.810 264 A HN 0.947 nan 8.150 nan 0.000 0.446 265 D N -0.904 119.373 120.400 -0.205 0.000 2.224 265 D HA -0.083 4.557 4.640 -0.000 0.000 0.205 265 D C 2.136 178.354 176.300 -0.137 0.000 0.965 265 D CA 0.995 54.879 54.000 -0.194 0.000 0.852 265 D CB -0.073 40.653 40.800 -0.124 0.000 0.947 265 D HN 0.583 nan 8.370 nan 0.000 0.494 266 Q N -0.603 119.131 119.800 -0.110 0.000 2.172 266 Q HA -0.067 4.273 4.340 -0.000 0.000 0.200 266 Q C 1.916 177.932 176.000 0.026 0.000 0.964 266 Q CA 0.451 56.250 55.803 -0.006 0.000 0.855 266 Q CB 0.062 28.802 28.738 0.004 0.000 0.918 266 Q HN 0.285 nan 8.270 nan 0.000 0.444 267 L N 0.980 122.184 121.223 -0.032 0.000 2.027 267 L HA -0.149 4.191 4.340 -0.000 0.000 0.206 267 L C 2.338 179.251 176.870 0.072 0.000 1.074 267 L CA 1.798 56.711 54.840 0.122 0.000 0.745 267 L CB -0.421 41.785 42.059 0.245 0.000 0.898 267 L HN 0.012 nan 8.230 nan 0.000 0.433 268 R N -1.478 118.806 120.500 -0.360 0.000 2.081 268 R HA -0.241 4.099 4.340 -0.000 0.000 0.235 268 R C 2.358 178.497 176.300 -0.268 0.000 1.131 268 R CA 1.890 57.449 56.100 -0.901 0.000 0.960 268 R CB -0.607 28.821 30.300 -1.453 0.000 0.856 268 R HN 0.432 nan 8.270 nan 0.000 0.436 269 F N 1.129 120.922 119.950 -0.262 0.000 2.171 269 F HA -0.157 4.370 4.527 -0.000 0.000 0.300 269 F C 2.139 177.820 175.800 -0.198 0.000 1.090 269 F CA 1.774 59.638 58.000 -0.227 0.000 1.293 269 F CB -0.238 38.599 39.000 -0.272 0.000 1.013 269 F HN -0.022 nan 8.300 nan 0.000 0.486 270 S N -0.508 115.127 115.700 -0.108 0.000 2.370 270 S HA -0.234 4.236 4.470 -0.000 0.000 0.226 270 S C 1.766 176.262 174.600 -0.174 0.000 1.033 270 S CA 1.507 59.608 58.200 -0.165 0.000 1.011 270 S CB -0.757 62.440 63.200 -0.006 0.000 0.852 270 S HN 0.482 nan 8.310 nan 0.000 0.457 271 Y N 1.702 121.913 120.300 -0.149 0.000 2.145 271 Y HA -0.069 4.481 4.550 -0.000 0.000 0.286 271 Y C 2.146 177.870 175.900 -0.293 0.000 1.145 271 Y CA 1.004 59.064 58.100 -0.067 0.000 1.148 271 Y CB -0.493 38.117 38.460 0.250 0.000 0.981 271 Y HN 0.164 nan 8.280 nan 0.000 0.507 272 L N -1.241 119.792 121.223 -0.316 0.000 2.083 272 L HA -0.232 4.108 4.340 -0.000 0.000 0.209 272 L C 2.646 179.218 176.870 -0.497 0.000 1.083 272 L CA 1.048 55.582 54.840 -0.510 0.000 0.752 272 L CB -0.844 40.874 42.059 -0.567 0.000 0.899 272 L HN 0.214 nan 8.230 nan 0.000 0.433 273 A N -0.329 122.084 122.820 -0.679 0.000 1.902 273 A HA -0.138 4.182 4.320 -0.000 0.000 0.217 273 A C 2.316 179.760 177.584 -0.233 0.000 1.181 273 A CA 1.770 53.492 52.037 -0.525 0.000 0.623 273 A CB -0.752 17.837 19.000 -0.684 0.000 0.818 273 A HN 0.190 nan 8.150 nan 0.000 0.443 274 V N 0.129 119.923 119.914 -0.199 0.000 2.358 274 V HA -0.228 3.892 4.120 -0.000 0.000 0.246 274 V C 2.407 178.474 176.094 -0.046 0.000 1.047 274 V CA 1.853 64.100 62.300 -0.088 0.000 1.035 274 V CB -0.675 31.082 31.823 -0.110 0.000 0.658 274 V HN 0.558 nan 8.190 nan 0.000 0.452 275 I N 0.218 120.735 120.570 -0.089 0.000 2.208 275 I HA -0.256 3.914 4.170 -0.000 0.000 0.245 275 I C 2.612 178.723 176.117 -0.009 0.000 1.097 275 I CA 1.870 63.137 61.300 -0.056 0.000 1.363 275 I CB -0.247 37.675 38.000 -0.130 0.000 1.051 275 I HN 0.373 nan 8.210 nan 0.000 0.413 276 E N 1.294 121.475 120.200 -0.031 0.000 2.046 276 E HA -0.130 4.220 4.350 -0.000 0.000 0.190 276 E C 2.185 178.942 176.600 0.262 0.000 0.982 276 E CA 1.591 58.044 56.400 0.087 0.000 0.800 276 E CB -0.530 29.172 29.700 0.003 0.000 0.756 276 E HN 0.349 nan 8.360 nan 0.000 0.449 277 G N 0.250 109.149 108.800 0.165 0.000 2.432 277 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.219 277 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.219 277 G C 1.682 176.806 174.900 0.374 0.000 1.135 277 G CA 0.920 46.212 45.100 0.321 0.000 0.767 277 G HN 0.442 nan 8.290 nan 0.000 0.550 278 A N 1.286 124.240 122.820 0.223 0.000 1.948 278 A HA -0.107 4.213 4.320 -0.000 0.000 0.220 278 A C 2.306 179.997 177.584 0.179 0.000 1.177 278 A CA 1.996 54.140 52.037 0.179 0.000 0.636 278 A CB -0.357 18.702 19.000 0.099 0.000 0.815 278 A HN 0.413 nan 8.150 nan 0.000 0.449 279 K N -1.483 119.027 120.400 0.183 0.000 2.074 279 K HA -0.209 4.111 4.320 -0.000 0.000 0.209 279 K C 1.827 178.483 176.600 0.093 0.000 1.048 279 K CA 1.766 58.120 56.287 0.112 0.000 0.926 279 K CB -0.473 32.086 32.500 0.099 0.000 0.713 279 K HN 0.594 nan 8.250 nan 0.000 0.444 280 F N 2.062 122.020 119.950 0.014 0.000 2.146 280 F HA -0.134 4.393 4.527 -0.000 0.000 0.298 280 F C 1.953 177.767 175.800 0.022 0.000 1.096 280 F CA 0.966 58.926 58.000 -0.066 0.000 1.275 280 F CB 0.015 38.946 39.000 -0.115 0.000 1.008 280 F HN -0.154 nan 8.300 nan 0.000 0.480 281 I N 0.406 121.121 120.570 0.242 0.000 2.286 281 I HA -0.255 3.915 4.170 -0.000 0.000 0.248 281 I C 1.923 178.023 176.117 -0.029 0.000 1.115 281 I CA 1.174 62.548 61.300 0.125 0.000 1.392 281 I CB -1.179 36.945 38.000 0.207 0.000 1.065 281 I HN 0.252 nan 8.210 nan 0.000 0.418 282 M N -0.127 119.463 119.600 -0.016 0.000 2.659 282 M HA 0.128 4.608 4.480 -0.000 0.000 0.243 282 M C 1.646 177.888 176.300 -0.095 0.000 1.111 282 M CA 0.727 56.003 55.300 -0.039 0.000 1.070 282 M CB -1.105 31.490 32.600 -0.009 0.000 1.525 282 M HN 0.459 nan 8.290 nan 0.000 0.517 283 G N -0.715 107.974 108.800 -0.183 0.000 2.612 283 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.200 283 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.200 283 G C 0.154 174.909 174.900 -0.243 0.000 1.053 283 G CA -0.186 44.783 45.100 -0.218 0.000 0.707 283 G HN 0.390 nan 8.290 nan 0.000 0.497 284 D N 2.034 122.329 120.400 -0.176 0.000 3.061 284 D HA 0.180 4.820 4.640 -0.000 0.000 0.226 284 D C 1.706 177.884 176.300 -0.203 0.000 1.168 284 D CA 1.115 55.019 54.000 -0.160 0.000 0.822 284 D CB 0.498 41.222 40.800 -0.126 0.000 1.152 284 D HN 0.610 nan 8.370 nan 0.000 0.555 285 S N 1.013 116.613 115.700 -0.166 0.000 2.577 285 S HA -0.005 4.465 4.470 -0.000 0.000 0.219 285 S C 1.415 175.939 174.600 -0.128 0.000 0.962 285 S CA 0.235 58.352 58.200 -0.140 0.000 0.921 285 S CB 0.203 63.337 63.200 -0.111 0.000 0.789 285 S HN 0.348 nan 8.310 nan 0.000 0.497 286 S N 0.994 116.599 115.700 -0.159 0.000 2.512 286 S HA 0.095 4.565 4.470 -0.000 0.000 0.216 286 S C 1.709 176.146 174.600 -0.271 0.000 1.006 286 S CA 0.325 58.426 58.200 -0.165 0.000 0.915 286 S CB -0.474 62.652 63.200 -0.122 0.000 0.824 286 S HN 0.559 nan 8.310 nan 0.000 0.497 287 V N -0.135 119.536 119.914 -0.406 0.000 2.427 287 V HA -0.115 4.005 4.120 -0.000 0.000 0.248 287 V C 2.597 177.941 176.094 -1.250 0.000 1.051 287 V CA 1.795 63.631 62.300 -0.773 0.000 1.048 287 V CB -1.448 29.859 31.823 -0.859 0.000 0.666 287 V HN 0.449 nan 8.190 nan 0.000 0.456 288 Q N 0.434 119.662 119.800 -0.955 0.000 2.020 288 Q HA -0.226 4.113 4.340 -0.000 0.000 0.202 288 Q C 2.176 178.039 176.000 -0.230 0.000 0.982 288 Q CA 2.355 57.764 55.803 -0.657 0.000 0.838 288 Q CB -0.195 28.338 28.738 -0.341 0.000 0.899 288 Q HN 0.735 nan 8.270 nan 0.000 0.423 289 D N -0.072 120.226 120.400 -0.170 0.000 2.123 289 D HA -0.226 4.414 4.640 -0.000 0.000 0.196 289 D C 1.749 178.029 176.300 -0.034 0.000 0.992 289 D CA 1.077 55.045 54.000 -0.054 0.000 0.833 289 D CB -0.310 40.460 40.800 -0.051 0.000 0.954 289 D HN 0.399 nan 8.370 nan 0.000 0.455 290 Q N -0.125 119.600 119.800 -0.126 0.000 2.045 290 Q HA -0.188 4.151 4.340 -0.000 0.000 0.206 290 Q C 2.099 178.154 176.000 0.092 0.000 0.991 290 Q CA 1.465 57.228 55.803 -0.066 0.000 0.851 290 Q CB -0.119 28.518 28.738 -0.168 0.000 0.911 290 Q HN 0.306 nan 8.270 nan 0.000 0.418 291 W N 1.082 122.378 121.300 -0.006 0.000 2.335 291 W HA -0.160 4.500 4.660 -0.000 0.000 0.311 291 W C 2.289 178.837 176.519 0.049 0.000 1.213 291 W CA 1.176 58.526 57.345 0.007 0.000 1.274 291 W CB -0.969 28.475 29.460 -0.026 0.000 1.148 291 W HN 0.300 nan 8.180 nan 0.000 0.498 292 K N 0.399 120.975 120.400 0.293 0.000 2.026 292 K HA -0.195 4.125 4.320 -0.000 0.000 0.208 292 K C 1.901 178.620 176.600 0.198 0.000 1.048 292 K CA 1.694 58.125 56.287 0.241 0.000 0.929 292 K CB -0.146 32.465 32.500 0.185 0.000 0.713 292 K HN -0.160 nan 8.250 nan 0.000 0.439 293 E N 0.897 121.182 120.200 0.141 0.000 2.058 293 E HA -0.205 4.145 4.350 -0.000 0.000 0.194 293 E C 2.103 178.761 176.600 0.098 0.000 0.997 293 E CA 1.080 57.542 56.400 0.104 0.000 0.801 293 E CB -0.234 29.500 29.700 0.056 0.000 0.746 293 E HN 0.382 nan 8.360 nan 0.000 0.450 294 L N 1.259 122.549 121.223 0.111 0.000 2.201 294 L HA -0.139 4.201 4.340 -0.000 0.000 0.212 294 L C 2.437 179.354 176.870 0.078 0.000 1.105 294 L CA 1.295 56.186 54.840 0.085 0.000 0.775 294 L CB -0.284 41.845 42.059 0.116 0.000 0.913 294 L HN 0.132 nan 8.230 nan 0.000 0.440 295 S N -2.288 113.487 115.700 0.126 0.000 2.496 295 S HA -0.174 4.296 4.470 -0.000 0.000 0.224 295 S C 0.919 175.629 174.600 0.184 0.000 0.996 295 S CA -0.026 58.216 58.200 0.069 0.000 0.927 295 S CB -0.506 62.796 63.200 0.171 0.000 0.774 295 S HN 0.589 nan 8.310 nan 0.000 0.524 296 H N 1.798 120.928 119.070 0.100 0.000 2.604 296 H HA -0.173 4.383 4.556 -0.000 0.000 0.321 296 H C 1.028 176.457 175.328 0.168 0.000 1.132 296 H CA 0.676 56.784 56.048 0.099 0.000 1.129 296 H CB -1.058 28.735 29.762 0.052 0.000 1.526 296 H HN 0.892 nan 8.280 nan 0.000 0.415 297 E N -0.532 119.852 120.200 0.306 0.000 2.338 297 E HA -0.089 4.261 4.350 -0.000 0.000 0.197 297 E C 0.050 176.655 176.600 0.008 0.000 1.007 297 E CA 0.845 57.393 56.400 0.247 0.000 0.849 297 E CB 0.295 30.171 29.700 0.293 0.000 0.774 297 E HN 0.424 nan 8.360 nan 0.000 0.506 298 D N 0.252 120.642 120.400 -0.016 0.000 2.432 298 D HA 0.580 5.220 4.640 -0.000 0.000 0.258 298 D C 0.354 176.522 176.300 -0.219 0.000 1.146 298 D CA 0.374 54.324 54.000 -0.084 0.000 1.015 298 D CB 1.608 42.403 40.800 -0.009 0.000 1.107 298 D HN 0.219 nan 8.370 nan 0.000 0.529 299 L N 0.000 121.128 121.223 -0.158 0.000 2.949 299 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 299 L CA 0.000 nan 54.840 nan 0.000 0.813 299 L CB 0.000 nan 42.059 nan 0.000 0.961 299 L HN 0.000 nan 8.230 nan 0.000 0.502