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 3m7d_1_A DATA FIRST_RESID 4 DATA SEQUENCE VYDAEFVGSE REFEEERETF LKGVKAYDGV LATRYLMERS SSAKXDEELL DATA SEQUENCE ELHQNFILLT GSYACSIDPT EDRYQNVIVR GVNFDERVQR LSTGGSPARY DATA SEQUENCE AIVYRRGWRA IAKALDIDEE DVPAIEVRAV KRNPLQPALY RILVRYGRVD DATA SEQUENCE LMPVTVDEVP PEMAGEFERL IERYDVPIDE KEERILEILR ENPWTPHDEI DATA SEQUENCE ARRLGLSVSE VEGEKDPESS GIYSLWSRVV VNIEYDERTA KRHVKRRDRL DATA SEQUENCE LEELYEHLEE LSERYLRHPL TRRWIVEHKR DIMRRYLEQR IVECALKLQD DATA SEQUENCE RYGIREDVAL CLARAFDGSI SMIATTPYRT LKDVCPDLTL EEAKSVNRTL DATA SEQUENCE ATLIDEHGLS PDAADELIEH FESIAGI 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 4 V HA 0.000 nan 4.120 nan 0.000 0.244 4 V C 0.000 175.802 176.094 -0.486 0.000 1.182 4 V CA 0.000 62.146 62.300 -0.257 0.000 1.235 4 V CB 0.000 31.675 31.823 -0.246 0.000 1.184 5 Y N 1.936 122.150 120.300 -0.143 0.000 2.331 5 Y HA 0.904 5.454 4.550 -0.002 0.000 0.334 5 Y C -0.344 175.475 175.900 -0.136 0.000 0.960 5 Y CA -0.401 57.593 58.100 -0.176 0.000 1.130 5 Y CB 1.814 40.149 38.460 -0.209 0.000 1.164 5 Y HN 0.316 nan 8.280 nan 0.000 0.458 6 D N 1.513 121.903 120.400 -0.016 0.000 2.654 6 D HA 0.806 5.445 4.640 -0.002 0.000 0.231 6 D C -1.629 174.669 176.300 -0.003 0.000 1.239 6 D CA -0.373 53.622 54.000 -0.008 0.000 0.790 6 D CB 2.017 42.802 40.800 -0.024 0.000 1.480 6 D HN 0.675 nan 8.370 nan 0.000 0.442 7 A N 1.637 124.482 122.820 0.042 0.000 2.599 7 A HA 0.636 4.955 4.320 -0.002 0.000 0.294 7 A C -1.558 176.112 177.584 0.143 0.000 1.055 7 A CA -0.723 51.370 52.037 0.093 0.000 0.683 7 A CB 1.312 20.376 19.000 0.106 0.000 1.278 7 A HN 0.398 nan 8.150 nan 0.000 0.412 8 E N 0.449 120.751 120.200 0.171 0.000 2.210 8 E HA 0.471 4.820 4.350 -0.002 0.000 0.266 8 E C -1.464 175.259 176.600 0.205 0.000 0.883 8 E CA -0.528 55.965 56.400 0.155 0.000 0.761 8 E CB 2.478 32.218 29.700 0.066 0.000 1.156 8 E HN 0.522 nan 8.360 nan 0.000 0.412 9 F N 3.384 123.364 119.950 0.050 0.000 2.427 9 F HA 0.166 4.692 4.527 -0.002 0.000 0.352 9 F C 0.695 176.420 175.800 -0.124 0.000 1.100 9 F CA -0.237 57.703 58.000 -0.100 0.000 1.191 9 F CB 0.782 39.754 39.000 -0.047 0.000 1.128 9 F HN 0.263 nan 8.300 nan 0.000 0.533 10 V N 3.286 122.627 119.914 -0.955 0.000 3.337 10 V HA 0.507 4.626 4.120 -0.002 0.000 0.307 10 V C 0.788 176.435 176.094 -0.745 0.000 1.505 10 V CA 0.340 62.270 62.300 -0.617 0.000 1.072 10 V CB -0.436 31.196 31.823 -0.319 0.000 0.929 10 V HN 0.871 nan 8.190 nan 0.000 0.455 11 G N 1.450 109.377 108.800 -1.455 0.000 2.508 11 G HA2 0.486 4.445 3.960 -0.002 0.000 0.278 11 G HA3 0.486 4.445 3.960 -0.002 0.000 0.278 11 G C 0.201 175.008 174.900 -0.156 0.000 1.389 11 G CA 0.320 44.996 45.100 -0.706 0.000 1.050 11 G HN 0.775 nan 8.290 nan 0.000 0.522 12 S N -1.366 114.378 115.700 0.074 0.000 2.655 12 S HA 0.241 4.710 4.470 -0.002 0.000 0.265 12 S C 1.050 175.810 174.600 0.266 0.000 1.240 12 S CA -0.241 58.039 58.200 0.134 0.000 0.986 12 S CB 1.420 64.670 63.200 0.082 0.000 0.985 12 S HN 0.555 nan 8.310 nan 0.000 0.562 13 E N 0.868 121.166 120.200 0.162 0.000 2.085 13 E HA -0.202 4.147 4.350 -0.002 0.000 0.194 13 E C 2.112 178.824 176.600 0.187 0.000 0.994 13 E CA 1.239 57.738 56.400 0.166 0.000 0.801 13 E CB -0.362 29.393 29.700 0.092 0.000 0.743 13 E HN 0.760 nan 8.360 nan 0.000 0.453 14 R N 1.146 121.731 120.500 0.141 0.000 2.081 14 R HA -0.138 4.201 4.340 -0.002 0.000 0.235 14 R C 1.998 178.382 176.300 0.139 0.000 1.131 14 R CA 1.508 57.676 56.100 0.114 0.000 0.960 14 R CB -0.008 30.342 30.300 0.083 0.000 0.856 14 R HN 0.156 nan 8.270 nan 0.000 0.436 15 E N -0.358 119.964 120.200 0.203 0.000 2.153 15 E HA -0.205 4.144 4.350 -0.002 0.000 0.194 15 E C 1.715 178.477 176.600 0.271 0.000 0.988 15 E CA 1.077 57.633 56.400 0.260 0.000 0.811 15 E CB -0.200 29.686 29.700 0.310 0.000 0.746 15 E HN 0.289 nan 8.360 nan 0.000 0.466 16 F N 2.429 122.399 119.950 0.034 0.000 2.134 16 F HA -0.180 4.346 4.527 -0.001 0.000 0.299 16 F C 2.109 177.753 175.800 -0.261 0.000 1.097 16 F CA 1.349 59.051 58.000 -0.496 0.000 1.264 16 F CB 0.063 38.768 39.000 -0.491 0.000 1.001 16 F HN -0.120 nan 8.300 nan 0.000 0.479 17 E N 0.452 120.592 120.200 -0.099 0.000 2.106 17 E HA -0.190 4.159 4.350 -0.002 0.000 0.192 17 E C 2.135 178.668 176.600 -0.111 0.000 0.984 17 E CA 1.376 57.686 56.400 -0.150 0.000 0.806 17 E CB -0.488 29.194 29.700 -0.031 0.000 0.750 17 E HN 0.605 nan 8.360 nan 0.000 0.458 18 E N 0.739 120.925 120.200 -0.024 0.000 2.051 18 E HA -0.178 4.171 4.350 -0.002 0.000 0.192 18 E C 2.016 178.630 176.600 0.023 0.000 0.991 18 E CA 0.857 57.272 56.400 0.024 0.000 0.799 18 E CB 0.028 29.775 29.700 0.078 0.000 0.748 18 E HN 0.163 nan 8.360 nan 0.000 0.449 19 E N 0.744 120.946 120.200 0.004 0.000 2.077 19 E HA -0.161 4.188 4.350 -0.002 0.000 0.193 19 E C 2.088 178.682 176.600 -0.009 0.000 0.989 19 E CA 0.983 57.419 56.400 0.059 0.000 0.800 19 E CB -0.195 29.559 29.700 0.091 0.000 0.746 19 E HN 0.248 nan 8.360 nan 0.000 0.452 20 R N 0.564 120.927 120.500 -0.228 0.000 2.092 20 R HA -0.128 4.211 4.340 -0.002 0.000 0.231 20 R C 2.340 178.600 176.300 -0.067 0.000 1.119 20 R CA 1.291 57.256 56.100 -0.224 0.000 0.970 20 R CB -0.192 29.829 30.300 -0.465 0.000 0.864 20 R HN 0.079 nan 8.270 nan 0.000 0.440 21 E N 0.512 120.670 120.200 -0.069 0.000 2.051 21 E HA -0.136 4.213 4.350 -0.002 0.000 0.192 21 E C 1.671 178.263 176.600 -0.013 0.000 0.991 21 E CA 1.981 58.359 56.400 -0.036 0.000 0.799 21 E CB -0.170 29.519 29.700 -0.019 0.000 0.748 21 E HN 0.117 nan 8.360 nan 0.000 0.449 22 T N 0.129 114.713 114.554 0.051 0.000 2.708 22 T HA -0.145 4.204 4.350 -0.002 0.000 0.266 22 T C 1.501 176.225 174.700 0.040 0.000 1.037 22 T CA 1.385 63.541 62.100 0.093 0.000 1.146 22 T CB -0.616 68.359 68.868 0.179 0.000 0.865 22 T HN 0.237 nan 8.240 nan 0.000 0.435 23 F N 1.430 121.362 119.950 -0.029 0.000 2.095 23 F HA -0.046 4.481 4.527 -0.000 0.000 0.298 23 F C 2.004 177.740 175.800 -0.106 0.000 1.104 23 F CA 1.240 59.218 58.000 -0.038 0.000 1.232 23 F CB -0.341 38.651 39.000 -0.014 0.000 0.987 23 F HN 0.044 nan 8.300 nan 0.000 0.475 24 L N -0.186 121.082 121.223 0.075 0.000 2.131 24 L HA -0.215 4.124 4.340 -0.002 0.000 0.210 24 L C 2.437 179.183 176.870 -0.208 0.000 1.092 24 L CA 0.955 55.772 54.840 -0.039 0.000 0.759 24 L CB -0.630 41.414 42.059 -0.025 0.000 0.903 24 L HN 0.024 nan 8.230 nan 0.000 0.435 25 K N 0.230 120.427 120.400 -0.339 0.000 2.057 25 K HA -0.054 4.265 4.320 -0.002 0.000 0.206 25 K C 2.122 178.287 176.600 -0.725 0.000 1.050 25 K CA 1.319 57.212 56.287 -0.656 0.000 0.935 25 K CB -0.775 31.029 32.500 -1.159 0.000 0.715 25 K HN 0.346 nan 8.250 nan 0.000 0.439 26 G N 1.196 109.654 108.800 -0.570 0.000 2.440 26 G HA2 -0.220 3.739 3.960 -0.002 0.000 0.218 26 G HA3 -0.220 3.739 3.960 -0.002 0.000 0.218 26 G C 1.717 176.457 174.900 -0.266 0.000 1.154 26 G CA 0.957 45.881 45.100 -0.294 0.000 0.767 26 G HN 0.123 nan 8.290 nan 0.000 0.552 27 V N 0.807 120.505 119.914 -0.359 0.000 2.295 27 V HA -0.183 3.936 4.120 -0.002 0.000 0.246 27 V C 2.676 178.694 176.094 -0.127 0.000 1.049 27 V CA 2.343 64.488 62.300 -0.259 0.000 1.024 27 V CB -0.435 31.252 31.823 -0.227 0.000 0.648 27 V HN 0.453 nan 8.190 nan 0.000 0.447 28 K N 0.091 120.418 120.400 -0.123 0.000 2.097 28 K HA -0.157 4.162 4.320 -0.002 0.000 0.206 28 K C 2.164 178.824 176.600 0.100 0.000 1.049 28 K CA 1.457 57.728 56.287 -0.026 0.000 0.933 28 K CB -0.291 32.173 32.500 -0.060 0.000 0.717 28 K HN 0.438 nan 8.250 nan 0.000 0.442 29 A N 0.172 123.047 122.820 0.091 0.000 1.898 29 A HA -0.183 4.136 4.320 -0.002 0.000 0.216 29 A C 2.033 179.645 177.584 0.048 0.000 1.181 29 A CA 1.284 53.454 52.037 0.221 0.000 0.620 29 A CB -0.821 18.381 19.000 0.336 0.000 0.819 29 A HN 0.551 nan 8.150 nan 0.000 0.442 30 Y N 1.231 121.455 120.300 -0.127 0.000 2.242 30 Y HA -0.148 4.401 4.550 -0.002 0.000 0.291 30 Y C 1.699 177.429 175.900 -0.283 0.000 1.137 30 Y CA 1.536 59.514 58.100 -0.204 0.000 1.181 30 Y CB -0.240 38.077 38.460 -0.237 0.000 0.989 30 Y HN 0.350 nan 8.280 nan 0.000 0.527 31 D N -0.401 119.822 120.400 -0.295 0.000 2.190 31 D HA -0.183 4.456 4.640 -0.002 0.000 0.200 31 D C 2.325 178.302 176.300 -0.538 0.000 0.992 31 D CA 1.544 55.334 54.000 -0.349 0.000 0.854 31 D CB -0.756 39.968 40.800 -0.127 0.000 0.936 31 D HN 0.537 nan 8.370 nan 0.000 0.462 32 G N 0.352 108.647 108.800 -0.842 0.000 2.394 32 G HA2 -0.156 3.803 3.960 -0.002 0.000 0.215 32 G HA3 -0.156 3.803 3.960 -0.002 0.000 0.215 32 G C 1.879 176.051 174.900 -1.214 0.000 1.165 32 G CA 0.636 44.614 45.100 -1.870 0.000 0.784 32 G HN 0.236 nan 8.290 nan 0.000 0.535 33 V N 1.211 120.667 119.914 -0.764 0.000 2.282 33 V HA -0.218 3.901 4.120 -0.002 0.000 0.249 33 V C 2.930 178.770 176.094 -0.424 0.000 1.057 33 V CA 1.749 63.748 62.300 -0.503 0.000 1.032 33 V CB -0.575 30.959 31.823 -0.482 0.000 0.645 33 V HN 0.344 nan 8.190 nan 0.000 0.447 34 L N 0.017 120.841 121.223 -0.665 0.000 2.017 34 L HA -0.149 4.190 4.340 -0.002 0.000 0.208 34 L C 2.732 179.457 176.870 -0.242 0.000 1.073 34 L CA 1.725 56.233 54.840 -0.552 0.000 0.745 34 L CB -0.844 40.843 42.059 -0.620 0.000 0.894 34 L HN 0.356 nan 8.230 nan 0.000 0.432 35 A N 0.047 122.710 122.820 -0.261 0.000 1.969 35 A HA -0.182 4.137 4.320 -0.002 0.000 0.218 35 A C 2.418 180.011 177.584 0.015 0.000 1.169 35 A CA 2.060 54.043 52.037 -0.089 0.000 0.635 35 A CB -0.895 18.025 19.000 -0.132 0.000 0.810 35 A HN 0.547 nan 8.150 nan 0.000 0.445 36 T N -2.096 112.434 114.554 -0.040 0.000 2.857 36 T HA -0.122 4.227 4.350 -0.002 0.000 0.266 36 T C 1.963 176.679 174.700 0.027 0.000 1.048 36 T CA 1.323 63.455 62.100 0.054 0.000 1.139 36 T CB -0.253 68.725 68.868 0.184 0.000 0.874 36 T HN 0.387 nan 8.240 nan 0.000 0.455 37 R N 0.276 120.804 120.500 0.045 0.000 2.081 37 R HA -0.073 4.266 4.340 -0.002 0.000 0.235 37 R C 2.215 178.537 176.300 0.037 0.000 1.131 37 R CA 1.405 57.490 56.100 -0.025 0.000 0.960 37 R CB -1.207 29.136 30.300 0.072 0.000 0.856 37 R HN 0.578 nan 8.270 nan 0.000 0.436 38 Y N 0.209 120.493 120.300 -0.027 0.000 2.114 38 Y HA -0.246 4.303 4.550 -0.002 0.000 0.282 38 Y C 1.781 177.655 175.900 -0.043 0.000 1.165 38 Y CA 1.959 60.058 58.100 -0.002 0.000 1.148 38 Y CB -0.487 37.986 38.460 0.022 0.000 0.972 38 Y HN 0.207 nan 8.280 nan 0.000 0.504 39 L N 0.258 121.437 121.223 -0.073 0.000 2.083 39 L HA -0.211 4.129 4.340 -0.002 0.000 0.209 39 L C 2.239 178.943 176.870 -0.277 0.000 1.083 39 L CA 1.852 56.562 54.840 -0.216 0.000 0.752 39 L CB -0.759 41.243 42.059 -0.096 0.000 0.899 39 L HN 0.380 nan 8.230 nan 0.000 0.433 40 M N -1.146 118.326 119.600 -0.214 0.000 2.149 40 M HA -0.180 4.299 4.480 -0.002 0.000 0.261 40 M C 1.856 178.026 176.300 -0.216 0.000 1.064 40 M CA 1.479 56.644 55.300 -0.225 0.000 1.102 40 M CB -0.325 32.157 32.600 -0.197 0.000 1.369 40 M HN 0.213 nan 8.290 nan 0.000 0.408 41 E N -0.498 119.579 120.200 -0.206 0.000 2.250 41 E HA -0.053 4.296 4.350 -0.002 0.000 0.192 41 E C 1.859 178.321 176.600 -0.231 0.000 0.986 41 E CA 0.691 56.983 56.400 -0.180 0.000 0.849 41 E CB -0.210 29.422 29.700 -0.113 0.000 0.797 41 E HN 0.467 nan 8.360 nan 0.000 0.482 42 R N 0.458 120.743 120.500 -0.359 0.000 2.153 42 R HA 0.049 4.388 4.340 -0.002 0.000 0.218 42 R C 0.530 176.680 176.300 -0.250 0.000 1.072 42 R CA 0.666 56.549 56.100 -0.363 0.000 0.990 42 R CB 0.297 30.229 30.300 -0.614 0.000 0.889 42 R HN -0.081 nan 8.270 nan 0.000 0.452 43 S N -0.402 115.139 115.700 -0.265 0.000 2.640 43 S HA 0.230 4.699 4.470 -0.002 0.000 0.320 43 S C 0.341 174.799 174.600 -0.237 0.000 1.097 43 S CA -0.796 57.264 58.200 -0.233 0.000 1.092 43 S CB 1.839 64.870 63.200 -0.282 0.000 0.988 43 S HN 0.302 nan 8.310 nan 0.000 0.470 44 S N 3.661 119.266 115.700 -0.158 0.000 2.365 44 S HA -0.124 4.345 4.470 -0.002 0.000 0.225 44 S C 1.970 176.480 174.600 -0.151 0.000 1.039 44 S CA 1.994 60.115 58.200 -0.132 0.000 1.033 44 S CB -0.373 62.777 63.200 -0.082 0.000 0.887 44 S HN 0.794 nan 8.310 nan 0.000 0.447 45 S N 1.498 117.115 115.700 -0.140 0.000 2.419 45 S HA 0.047 4.516 4.470 -0.002 0.000 0.233 45 S C 2.062 176.472 174.600 -0.316 0.000 1.016 45 S CA 0.830 58.972 58.200 -0.095 0.000 0.974 45 S CB -0.335 62.938 63.200 0.121 0.000 0.786 45 S HN 0.624 nan 8.310 nan 0.000 0.492 46 A N 0.975 123.393 122.820 -0.670 0.000 2.021 46 A HA 0.179 4.498 4.320 -0.002 0.000 0.216 46 A C 1.252 178.601 177.584 -0.391 0.000 1.163 46 A CA 0.510 52.040 52.037 -0.845 0.000 0.676 46 A CB -0.154 18.244 19.000 -1.003 0.000 0.818 46 A HN 0.321 nan 8.150 nan 0.000 0.453 50 E N 1.610 121.804 120.200 -0.011 0.000 2.150 50 E HA -0.145 4.204 4.350 -0.002 0.000 0.193 50 E C 1.408 178.002 176.600 -0.009 0.000 0.985 50 E CA 0.975 57.365 56.400 -0.018 0.000 0.814 50 E CB 0.362 30.055 29.700 -0.011 0.000 0.752 50 E HN 0.637 nan 8.360 nan 0.000 0.466 51 E N 0.825 121.032 120.200 0.011 0.000 2.285 51 E HA -0.136 4.213 4.350 -0.002 0.000 0.194 51 E C 2.082 178.651 176.600 -0.052 0.000 0.997 51 E CA 0.334 56.743 56.400 0.014 0.000 0.845 51 E CB -0.069 29.682 29.700 0.086 0.000 0.782 51 E HN 0.118 nan 8.360 nan 0.000 0.491 52 L N 1.085 122.279 121.223 -0.048 0.000 2.072 52 L HA -0.034 4.306 4.340 -0.002 0.000 0.205 52 L C 2.198 179.044 176.870 -0.039 0.000 1.079 52 L CA 1.211 56.010 54.840 -0.068 0.000 0.752 52 L CB -0.583 41.429 42.059 -0.077 0.000 0.906 52 L HN 0.273 nan 8.230 nan 0.000 0.436 53 L N -0.019 121.177 121.223 -0.045 0.000 2.042 53 L HA -0.228 4.111 4.340 -0.002 0.000 0.210 53 L C 2.472 179.353 176.870 0.019 0.000 1.076 53 L CA 2.115 56.939 54.840 -0.026 0.000 0.749 53 L CB -0.912 41.112 42.059 -0.058 0.000 0.893 53 L HN 0.561 nan 8.230 nan 0.000 0.432 54 E N -0.688 119.506 120.200 -0.010 0.000 2.072 54 E HA -0.217 4.132 4.350 -0.002 0.000 0.191 54 E C 2.284 178.863 176.600 -0.036 0.000 0.985 54 E CA 1.286 57.677 56.400 -0.015 0.000 0.801 54 E CB -0.168 29.527 29.700 -0.009 0.000 0.750 54 E HN 0.597 nan 8.360 nan 0.000 0.452 55 L N 0.107 121.291 121.223 -0.065 0.000 2.012 55 L HA -0.243 4.096 4.340 -0.002 0.000 0.210 55 L C 2.693 179.561 176.870 -0.004 0.000 1.073 55 L CA 1.823 56.587 54.840 -0.126 0.000 0.748 55 L CB -0.624 41.341 42.059 -0.157 0.000 0.891 55 L HN 0.323 nan 8.230 nan 0.000 0.431 56 H N -0.036 119.045 119.070 0.018 0.000 2.319 56 H HA -0.236 4.318 4.556 -0.003 0.000 0.297 56 H C 2.351 177.710 175.328 0.052 0.000 1.097 56 H CA 2.163 58.257 56.048 0.077 0.000 1.285 56 H CB 0.047 29.811 29.762 0.002 0.000 1.368 56 H HN 0.319 nan 8.280 nan 0.000 0.495 57 Q N -0.456 119.364 119.800 0.034 0.000 2.124 57 Q HA -0.137 4.202 4.340 -0.002 0.000 0.202 57 Q C 2.112 178.072 176.000 -0.067 0.000 0.977 57 Q CA 1.078 56.860 55.803 -0.035 0.000 0.850 57 Q CB 0.016 28.752 28.738 -0.004 0.000 0.901 57 Q HN 0.557 nan 8.270 nan 0.000 0.429 58 N N 0.292 118.930 118.700 -0.102 0.000 2.120 58 N HA -0.115 4.624 4.740 -0.002 0.000 0.188 58 N C 1.545 176.958 175.510 -0.162 0.000 1.024 58 N CA 1.146 54.099 53.050 -0.162 0.000 0.852 58 N CB -0.251 38.089 38.487 -0.246 0.000 1.003 58 N HN 0.216 nan 8.380 nan 0.000 0.424 59 F N 1.261 121.140 119.950 -0.118 0.000 2.186 59 F HA -0.020 4.510 4.527 0.004 0.000 0.299 59 F C 2.292 178.037 175.800 -0.092 0.000 1.090 59 F CA 0.415 58.342 58.000 -0.122 0.000 1.307 59 F CB -0.168 38.707 39.000 -0.208 0.000 1.019 59 F HN -0.035 nan 8.300 nan 0.000 0.489 60 I N -0.092 120.488 120.570 0.017 0.000 2.163 60 I HA -0.339 3.830 4.170 -0.002 0.000 0.243 60 I C 2.257 178.465 176.117 0.152 0.000 1.085 60 I CA 1.323 62.632 61.300 0.015 0.000 1.347 60 I CB -0.507 37.410 38.000 -0.138 0.000 1.044 60 I HN 0.142 nan 8.210 nan 0.000 0.408 61 L N 0.074 121.353 121.223 0.093 0.000 2.017 61 L HA -0.236 4.103 4.340 -0.002 0.000 0.208 61 L C 2.519 179.422 176.870 0.056 0.000 1.073 61 L CA 1.433 56.336 54.840 0.105 0.000 0.745 61 L CB -0.530 41.532 42.059 0.006 0.000 0.894 61 L HN 0.275 nan 8.230 nan 0.000 0.432 62 L N -1.036 120.214 121.223 0.044 0.000 2.141 62 L HA -0.164 4.175 4.340 -0.002 0.000 0.209 62 L C 2.581 179.543 176.870 0.154 0.000 1.094 62 L CA 1.221 56.079 54.840 0.031 0.000 0.763 62 L CB -0.914 41.218 42.059 0.121 0.000 0.908 62 L HN 0.292 nan 8.230 nan 0.000 0.437 63 T N -0.176 114.513 114.554 0.225 0.000 2.746 63 T HA -0.120 4.229 4.350 -0.002 0.000 0.267 63 T C 1.867 176.654 174.700 0.145 0.000 1.039 63 T CA 1.388 63.629 62.100 0.235 0.000 1.142 63 T CB -0.458 68.549 68.868 0.233 0.000 0.866 63 T HN 0.555 nan 8.240 nan 0.000 0.444 64 G N 0.507 109.379 108.800 0.120 0.000 2.402 64 G HA2 -0.194 3.765 3.960 -0.002 0.000 0.216 64 G HA3 -0.194 3.765 3.960 -0.002 0.000 0.216 64 G C 1.854 176.677 174.900 -0.128 0.000 1.162 64 G CA 1.159 46.196 45.100 -0.106 0.000 0.777 64 G HN 0.511 nan 8.290 nan 0.000 0.539 65 S N -0.284 115.347 115.700 -0.116 0.000 2.348 65 S HA -0.129 4.340 4.470 -0.002 0.000 0.221 65 S C 2.166 176.672 174.600 -0.158 0.000 1.033 65 S CA 1.445 59.533 58.200 -0.186 0.000 1.010 65 S CB -0.492 62.523 63.200 -0.308 0.000 0.891 65 S HN 0.509 nan 8.310 nan 0.000 0.442 66 Y N 1.557 121.857 120.300 -0.001 0.000 2.165 66 Y HA -0.089 4.460 4.550 -0.001 0.000 0.286 66 Y C 2.803 178.700 175.900 -0.006 0.000 1.155 66 Y CA 0.905 59.007 58.100 0.004 0.000 1.164 66 Y CB -0.613 37.840 38.460 -0.011 0.000 0.978 66 Y HN 0.394 nan 8.280 nan 0.000 0.513 67 A N -0.779 122.103 122.820 0.103 0.000 1.933 67 A HA -0.220 4.100 4.320 -0.002 0.000 0.218 67 A C 2.207 179.813 177.584 0.038 0.000 1.175 67 A CA 1.721 53.783 52.037 0.041 0.000 0.628 67 A CB -1.447 17.541 19.000 -0.021 0.000 0.814 67 A HN 0.616 nan 8.150 nan 0.000 0.444 68 C N -0.502 118.802 119.300 0.006 0.000 2.419 68 C HA -0.032 4.427 4.460 -0.002 0.000 0.281 68 C C 2.927 177.968 174.990 0.086 0.000 1.336 68 C CA 1.323 60.357 59.018 0.026 0.000 1.770 68 C CB -1.231 26.512 27.740 0.005 0.000 1.929 68 C HN 0.580 nan 8.230 nan 0.000 0.509 69 S N 0.029 115.793 115.700 0.106 0.000 2.558 69 S HA 0.181 4.650 4.470 -0.002 0.000 0.217 69 S C 0.608 175.310 174.600 0.169 0.000 0.975 69 S CA 0.166 58.450 58.200 0.140 0.000 0.912 69 S CB -0.155 63.139 63.200 0.156 0.000 0.776 69 S HN 0.401 nan 8.310 nan 0.000 0.526 70 I N 2.977 123.651 120.570 0.173 0.000 2.710 70 I HA 0.023 4.192 4.170 -0.002 0.000 0.286 70 I C 0.671 176.928 176.117 0.233 0.000 1.181 70 I CA 0.403 61.835 61.300 0.221 0.000 1.430 70 I CB -0.504 37.613 38.000 0.195 0.000 1.367 70 I HN 0.136 nan 8.210 nan 0.000 0.577 71 D N 6.689 127.291 120.400 0.336 0.000 2.735 71 D HA -0.138 4.501 4.640 -0.002 0.000 0.235 71 D C -1.539 174.882 176.300 0.201 0.000 1.175 71 D CA 0.185 54.388 54.000 0.339 0.000 0.683 71 D CB -0.051 40.977 40.800 0.380 0.000 1.008 71 D HN 0.390 nan 8.370 nan 0.000 0.416 72 P HA -0.161 nan 4.420 nan 0.000 0.218 72 P C 1.280 178.624 177.300 0.073 0.000 1.149 72 P CA 1.958 65.123 63.100 0.109 0.000 0.817 72 P CB -0.170 31.591 31.700 0.102 0.000 0.785 73 T N -3.974 110.627 114.554 0.079 0.000 3.100 73 T HA 0.085 4.434 4.350 -0.002 0.000 0.253 73 T C 0.702 175.434 174.700 0.052 0.000 1.118 73 T CA -0.064 62.065 62.100 0.048 0.000 1.058 73 T CB -0.879 68.011 68.868 0.037 0.000 0.953 73 T HN 0.189 nan 8.240 nan 0.000 0.515 74 E N 1.390 121.643 120.200 0.088 0.000 2.513 74 E HA -0.180 4.169 4.350 -0.002 0.000 0.257 74 E C -0.567 176.078 176.600 0.074 0.000 1.098 74 E CA 0.739 57.194 56.400 0.092 0.000 0.752 74 E CB -1.559 28.180 29.700 0.064 0.000 1.324 74 E HN 0.926 nan 8.360 nan 0.000 0.403 75 D N -1.931 118.509 120.400 0.067 0.000 2.640 75 D HA 0.089 4.728 4.640 -0.002 0.000 0.282 75 D C 0.740 177.006 176.300 -0.057 0.000 1.558 75 D CA -0.429 53.579 54.000 0.013 0.000 0.820 75 D CB -0.124 40.668 40.800 -0.013 0.000 1.243 75 D HN 0.074 nan 8.370 nan 0.000 0.456 76 R N -0.627 119.847 120.500 -0.043 0.000 2.300 76 R HA 0.241 4.580 4.340 -0.002 0.000 0.199 76 R C -0.410 175.506 176.300 -0.640 0.000 0.920 76 R CA 0.473 56.355 56.100 -0.364 0.000 1.046 76 R CB 0.331 30.475 30.300 -0.260 0.000 0.984 76 R HN 0.147 nan 8.270 nan 0.000 0.493 77 Y N 0.024 120.287 120.300 -0.061 0.000 2.545 77 Y HA 0.282 4.831 4.550 -0.002 0.000 0.348 77 Y C -0.173 175.713 175.900 -0.022 0.000 1.002 77 Y CA -1.192 56.901 58.100 -0.011 0.000 1.039 77 Y CB 1.816 40.328 38.460 0.087 0.000 1.271 77 Y HN -0.115 nan 8.280 nan 0.000 0.467 78 Q N 0.259 120.145 119.800 0.144 0.000 2.501 78 Q HA 0.485 4.824 4.340 -0.002 0.000 0.288 78 Q C -1.046 175.000 176.000 0.075 0.000 1.051 78 Q CA -1.149 54.699 55.803 0.076 0.000 0.788 78 Q CB 1.809 30.554 28.738 0.013 0.000 1.469 78 Q HN 0.681 nan 8.270 nan 0.000 0.416 79 N N -0.592 118.134 118.700 0.043 0.000 2.725 79 N HA -0.125 4.614 4.740 -0.002 0.000 0.251 79 N C -1.029 174.493 175.510 0.021 0.000 1.031 79 N CA 0.883 53.948 53.050 0.024 0.000 0.720 79 N CB -1.535 36.960 38.487 0.014 0.000 0.930 79 N HN 0.476 nan 8.380 nan 0.000 0.543 80 V N 1.370 121.304 119.914 0.034 0.000 2.439 80 V HA 0.233 4.352 4.120 -0.002 0.000 0.271 80 V C 1.115 177.153 176.094 -0.093 0.000 1.040 80 V CA 0.142 62.444 62.300 0.002 0.000 1.002 80 V CB 0.657 32.516 31.823 0.059 0.000 1.000 80 V HN 0.152 nan 8.190 nan 0.000 0.477 81 I N 5.445 125.902 120.570 -0.188 0.000 2.466 81 I HA 0.535 4.704 4.170 -0.002 0.000 0.289 81 I C -0.791 175.021 176.117 -0.509 0.000 1.026 81 I CA -0.708 60.396 61.300 -0.327 0.000 1.078 81 I CB 2.241 40.114 38.000 -0.212 0.000 1.249 81 I HN 0.263 nan 8.210 nan 0.000 0.429 82 V N 6.004 125.411 119.914 -0.845 0.000 2.525 82 V HA 0.402 4.521 4.120 -0.002 0.000 0.299 82 V C 0.310 175.931 176.094 -0.788 0.000 1.034 82 V CA -0.782 60.979 62.300 -0.899 0.000 0.863 82 V CB 1.577 32.708 31.823 -1.153 0.000 0.999 82 V HN 0.767 nan 8.190 nan 0.000 0.423 83 R N 3.528 123.443 120.500 -0.974 0.000 3.301 83 R HA -0.250 4.089 4.340 -0.002 0.000 0.249 83 R C 1.299 177.376 176.300 -0.372 0.000 0.964 83 R CA 0.785 56.511 56.100 -0.623 0.000 0.653 83 R CB -1.403 28.712 30.300 -0.308 0.000 1.043 83 R HN 1.607 nan 8.270 nan 0.000 0.454 84 G N -1.701 106.867 108.800 -0.386 0.000 2.184 84 G HA2 -0.344 3.615 3.960 -0.002 0.000 0.264 84 G HA3 -0.344 3.615 3.960 -0.002 0.000 0.264 84 G C 0.229 175.025 174.900 -0.174 0.000 0.975 84 G CA 0.166 45.129 45.100 -0.229 0.000 0.642 84 G HN 0.312 nan 8.290 nan 0.000 0.536 85 V N 1.435 121.218 119.914 -0.218 0.000 2.465 85 V HA 0.443 4.562 4.120 -0.002 0.000 0.279 85 V C 0.596 176.634 176.094 -0.093 0.000 1.045 85 V CA -1.034 61.214 62.300 -0.085 0.000 0.938 85 V CB 1.703 33.570 31.823 0.073 0.000 0.986 85 V HN 0.368 nan 8.190 nan 0.000 0.467 86 N N 3.513 122.225 118.700 0.019 0.000 2.406 86 N HA 0.111 4.850 4.740 -0.002 0.000 0.265 86 N C 0.297 175.932 175.510 0.209 0.000 1.203 86 N CA 0.011 53.088 53.050 0.045 0.000 0.945 86 N CB 0.438 38.938 38.487 0.021 0.000 1.165 86 N HN 0.515 nan 8.380 nan 0.000 0.485 87 F N 1.785 121.673 119.950 -0.103 0.000 2.512 87 F HA 0.043 4.569 4.527 -0.002 0.000 0.296 87 F C 1.652 177.357 175.800 -0.159 0.000 1.110 87 F CA -0.077 57.834 58.000 -0.148 0.000 1.446 87 F CB -0.232 38.703 39.000 -0.109 0.000 1.092 87 F HN 0.412 nan 8.300 nan 0.000 0.554 88 D N 0.491 120.942 120.400 0.085 0.000 2.106 88 D HA -0.196 4.443 4.640 -0.002 0.000 0.191 88 D C 2.152 178.434 176.300 -0.031 0.000 0.997 88 D CA 1.696 55.705 54.000 0.014 0.000 0.834 88 D CB -0.248 40.564 40.800 0.019 0.000 0.956 88 D HN 0.322 nan 8.370 nan 0.000 0.448 89 E N 0.056 120.247 120.200 -0.015 0.000 2.051 89 E HA -0.184 4.165 4.350 -0.002 0.000 0.192 89 E C 2.212 178.766 176.600 -0.076 0.000 0.991 89 E CA 0.610 56.991 56.400 -0.032 0.000 0.799 89 E CB -0.052 29.643 29.700 -0.009 0.000 0.748 89 E HN 0.159 nan 8.360 nan 0.000 0.449 90 R N 0.946 121.382 120.500 -0.106 0.000 2.094 90 R HA -0.174 4.165 4.340 -0.002 0.000 0.239 90 R C 2.286 178.406 176.300 -0.301 0.000 1.137 90 R CA 1.667 57.642 56.100 -0.209 0.000 0.943 90 R CB -0.253 29.845 30.300 -0.336 0.000 0.850 90 R HN 0.039 nan 8.270 nan 0.000 0.433 91 V N 2.114 121.792 119.914 -0.394 0.000 2.427 91 V HA -0.262 3.857 4.120 -0.002 0.000 0.248 91 V C 2.526 178.512 176.094 -0.181 0.000 1.051 91 V CA 2.085 64.156 62.300 -0.381 0.000 1.048 91 V CB -0.702 30.870 31.823 -0.418 0.000 0.666 91 V HN 0.577 nan 8.190 nan 0.000 0.456 92 Q N 0.754 120.481 119.800 -0.123 0.000 2.170 92 Q HA -0.220 4.119 4.340 -0.002 0.000 0.203 92 Q C 2.068 178.034 176.000 -0.056 0.000 0.976 92 Q CA 1.696 57.459 55.803 -0.067 0.000 0.858 92 Q CB -0.394 28.317 28.738 -0.046 0.000 0.907 92 Q HN 0.547 nan 8.270 nan 0.000 0.433 93 R N 0.316 120.775 120.500 -0.070 0.000 2.299 93 R HA 0.237 4.576 4.340 -0.002 0.000 0.197 93 R C 0.340 176.616 176.300 -0.040 0.000 0.971 93 R CA -0.073 55.999 56.100 -0.047 0.000 1.030 93 R CB 0.042 30.315 30.300 -0.044 0.000 0.932 93 R HN 0.242 nan 8.270 nan 0.000 0.477 94 L N 1.261 122.450 121.223 -0.056 0.000 2.426 94 L HA 0.016 4.355 4.340 -0.002 0.000 0.271 94 L C 1.815 178.688 176.870 0.005 0.000 1.169 94 L CA -0.163 54.661 54.840 -0.027 0.000 0.836 94 L CB 1.265 43.297 42.059 -0.045 0.000 1.112 94 L HN 0.157 nan 8.230 nan 0.000 0.465 95 S N -0.152 115.564 115.700 0.026 0.000 2.400 95 S HA -0.180 4.289 4.470 -0.002 0.000 0.232 95 S C 1.410 176.039 174.600 0.049 0.000 1.025 95 S CA 1.511 59.730 58.200 0.033 0.000 0.993 95 S CB -0.526 62.696 63.200 0.036 0.000 0.808 95 S HN 0.878 nan 8.310 nan 0.000 0.478 96 T N -2.425 112.178 114.554 0.083 0.000 3.069 96 T HA 0.546 4.895 4.350 -0.002 0.000 0.252 96 T C 1.412 176.178 174.700 0.111 0.000 1.053 96 T CA 0.442 62.617 62.100 0.124 0.000 0.964 96 T CB -0.457 68.556 68.868 0.242 0.000 1.005 96 T HN 1.018 nan 8.240 nan 0.000 0.532 97 G N 1.255 110.084 108.800 0.048 0.000 2.594 97 G HA2 0.225 4.184 3.960 -0.002 0.000 0.297 97 G HA3 0.225 4.184 3.960 -0.002 0.000 0.297 97 G C 0.428 175.331 174.900 0.006 0.000 1.273 97 G CA 0.089 45.194 45.100 0.008 0.000 0.974 97 G HN 1.952 nan 8.290 nan 0.000 0.552 98 G N -2.553 106.254 108.800 0.012 0.000 2.318 98 G HA2 0.419 4.378 3.960 -0.002 0.000 0.367 98 G HA3 0.419 4.378 3.960 -0.002 0.000 0.367 98 G C 0.050 174.957 174.900 0.011 0.000 1.260 98 G CA 0.879 45.991 45.100 0.021 0.000 1.055 98 G HN 2.315 nan 8.290 nan 0.000 0.484 99 S N 0.989 116.707 115.700 0.031 0.000 2.430 99 S HA 0.627 5.096 4.470 -0.002 0.000 0.289 99 S C -0.742 173.898 174.600 0.067 0.000 1.143 99 S CA -0.657 57.582 58.200 0.065 0.000 1.067 99 S CB 1.406 64.663 63.200 0.096 0.000 0.964 99 S HN 0.374 nan 8.310 nan 0.000 0.485 100 P HA 0.019 nan 4.420 nan 0.000 0.218 100 P C 1.238 178.634 177.300 0.161 0.000 1.149 100 P CA 0.990 64.140 63.100 0.082 0.000 0.817 100 P CB 0.053 31.797 31.700 0.072 0.000 0.785 101 A N -0.041 122.819 122.820 0.066 0.000 1.873 101 A HA -0.173 4.146 4.320 -0.002 0.000 0.215 101 A C 2.430 180.031 177.584 0.027 0.000 1.186 101 A CA 1.499 53.488 52.037 -0.079 0.000 0.616 101 A CB -1.156 17.556 19.000 -0.479 0.000 0.823 101 A HN -0.000 nan 8.150 nan 0.000 0.442 102 R N -2.201 118.340 120.500 0.069 0.000 2.092 102 R HA -0.135 4.204 4.340 -0.002 0.000 0.231 102 R C 2.054 178.418 176.300 0.106 0.000 1.119 102 R CA 1.545 57.693 56.100 0.080 0.000 0.970 102 R CB -0.443 29.897 30.300 0.068 0.000 0.864 102 R HN 0.671 nan 8.270 nan 0.000 0.440 103 Y N 0.441 120.743 120.300 0.004 0.000 2.165 103 Y HA -0.281 4.268 4.550 -0.001 0.000 0.286 103 Y C 2.056 178.066 175.900 0.183 0.000 1.155 103 Y CA 1.780 59.884 58.100 0.006 0.000 1.164 103 Y CB -0.263 38.145 38.460 -0.087 0.000 0.978 103 Y HN 0.153 nan 8.280 nan 0.000 0.513 104 A N 0.351 123.431 122.820 0.435 0.000 1.933 104 A HA -0.165 4.154 4.320 -0.002 0.000 0.218 104 A C 2.160 179.920 177.584 0.293 0.000 1.175 104 A CA 1.694 53.995 52.037 0.440 0.000 0.628 104 A CB -0.910 18.259 19.000 0.283 0.000 0.814 104 A HN 0.535 nan 8.150 nan 0.000 0.444 105 I N 0.219 120.906 120.570 0.194 0.000 2.454 105 I HA -0.165 4.004 4.170 -0.002 0.000 0.254 105 I C 2.220 178.418 176.117 0.135 0.000 1.156 105 I CA 1.171 62.571 61.300 0.166 0.000 1.433 105 I CB -0.752 37.322 38.000 0.122 0.000 1.082 105 I HN 0.150 nan 8.210 nan 0.000 0.432 106 V N -0.254 119.709 119.914 0.082 0.000 2.809 106 V HA -0.180 3.939 4.120 -0.002 0.000 0.256 106 V C 0.826 176.918 176.094 -0.003 0.000 1.080 106 V CA 0.588 62.877 62.300 -0.019 0.000 1.102 106 V CB -0.905 30.800 31.823 -0.197 0.000 0.705 106 V HN 0.144 nan 8.190 nan 0.000 0.475 107 Y N 0.596 120.899 120.300 0.006 0.000 2.411 107 Y HA 0.269 4.818 4.550 -0.001 0.000 0.333 107 Y C 1.030 176.997 175.900 0.112 0.000 1.186 107 Y CA -0.537 57.613 58.100 0.084 0.000 1.381 107 Y CB 0.129 38.691 38.460 0.171 0.000 1.273 107 Y HN 0.097 nan 8.280 nan 0.000 0.546 108 R N 3.007 123.640 120.500 0.223 0.000 2.538 108 R HA 0.010 4.349 4.340 -0.002 0.000 0.282 108 R C 0.385 176.803 176.300 0.197 0.000 1.009 108 R CA 0.374 56.596 56.100 0.203 0.000 1.063 108 R CB 0.082 30.491 30.300 0.182 0.000 0.945 108 R HN 0.903 nan 8.270 nan 0.000 0.414 109 R N 1.626 122.212 120.500 0.143 0.000 3.994 109 R HA -0.200 4.139 4.340 -0.002 0.000 0.403 109 R C 1.238 177.302 176.300 -0.392 0.000 1.126 109 R CA 0.800 56.774 56.100 -0.210 0.000 1.143 109 R CB -1.963 28.196 30.300 -0.234 0.000 1.695 109 R HN 0.972 nan 8.270 nan 0.000 0.555 110 G N 1.085 109.889 108.800 0.006 0.000 2.462 110 G HA2 -0.256 3.703 3.960 -0.002 0.000 0.220 110 G HA3 -0.256 3.703 3.960 -0.002 0.000 0.220 110 G C 1.186 176.087 174.900 0.001 0.000 1.121 110 G CA 0.827 45.969 45.100 0.070 0.000 0.758 110 G HN 0.672 nan 8.290 nan 0.000 0.559 111 W N 1.389 122.734 121.300 0.074 0.000 2.341 111 W HA -0.112 4.547 4.660 -0.001 0.000 0.283 111 W C 1.959 178.543 176.519 0.108 0.000 1.215 111 W CA 0.657 58.084 57.345 0.138 0.000 1.211 111 W CB -0.777 28.744 29.460 0.101 0.000 1.131 111 W HN 0.203 nan 8.180 nan 0.000 0.552 112 R N 1.198 121.160 120.500 -0.897 0.000 2.105 112 R HA -0.119 4.220 4.340 -0.002 0.000 0.239 112 R C 2.787 178.920 176.300 -0.279 0.000 1.135 112 R CA 2.153 57.716 56.100 -0.896 0.000 0.967 112 R CB -0.830 28.680 30.300 -1.316 0.000 0.861 112 R HN 0.252 nan 8.270 nan 0.000 0.442 113 A N 1.174 123.913 122.820 -0.135 0.000 1.898 113 A HA -0.119 4.200 4.320 -0.002 0.000 0.216 113 A C 2.010 179.590 177.584 -0.007 0.000 1.181 113 A CA 1.139 53.166 52.037 -0.017 0.000 0.620 113 A CB -0.230 18.771 19.000 0.001 0.000 0.819 113 A HN 0.085 nan 8.150 nan 0.000 0.442 114 I N -0.116 120.458 120.570 0.007 0.000 2.406 114 I HA -0.106 4.063 4.170 -0.002 0.000 0.249 114 I C 2.863 178.860 176.117 -0.201 0.000 1.122 114 I CA 1.146 62.419 61.300 -0.045 0.000 1.431 114 I CB -1.779 36.244 38.000 0.038 0.000 1.087 114 I HN 0.320 nan 8.210 nan 0.000 0.424 115 A N 1.172 123.872 122.820 -0.200 0.000 1.940 115 A HA -0.258 4.061 4.320 -0.002 0.000 0.219 115 A C 2.473 179.984 177.584 -0.120 0.000 1.176 115 A CA 2.029 53.886 52.037 -0.301 0.000 0.631 115 A CB -0.580 18.530 19.000 0.184 0.000 0.814 115 A HN 0.426 nan 8.150 nan 0.000 0.446 116 K N -0.333 120.046 120.400 -0.034 0.000 2.025 116 K HA -0.050 4.269 4.320 -0.002 0.000 0.207 116 K C 2.185 178.814 176.600 0.048 0.000 1.049 116 K CA 1.206 57.497 56.287 0.006 0.000 0.933 116 K CB -0.387 32.119 32.500 0.009 0.000 0.714 116 K HN 0.325 nan 8.250 nan 0.000 0.438 117 A N 1.299 124.175 122.820 0.092 0.000 1.917 117 A HA -0.148 4.171 4.320 -0.002 0.000 0.219 117 A C 1.977 179.701 177.584 0.234 0.000 1.182 117 A CA 1.549 53.716 52.037 0.217 0.000 0.633 117 A CB -0.581 18.662 19.000 0.404 0.000 0.819 117 A HN 0.378 nan 8.150 nan 0.000 0.448 118 L N -1.344 119.946 121.223 0.113 0.000 2.592 118 L HA 0.068 4.407 4.340 -0.002 0.000 0.227 118 L C 0.535 177.425 176.870 0.034 0.000 1.127 118 L CA 0.471 55.337 54.840 0.044 0.000 0.884 118 L CB -0.335 41.580 42.059 -0.240 0.000 1.065 118 L HN 0.452 nan 8.230 nan 0.000 0.457 119 D N 1.228 121.652 120.400 0.041 0.000 2.689 119 D HA -0.202 4.437 4.640 -0.002 0.000 0.237 119 D C -0.064 176.228 176.300 -0.013 0.000 1.148 119 D CA 0.267 54.291 54.000 0.040 0.000 0.656 119 D CB -0.514 40.349 40.800 0.105 0.000 1.050 119 D HN -0.030 nan 8.370 nan 0.000 0.426 120 I N 1.628 122.157 120.570 -0.068 0.000 2.505 120 I HA 0.112 4.281 4.170 -0.002 0.000 0.287 120 I C 1.306 177.420 176.117 -0.005 0.000 1.104 120 I CA 0.500 61.764 61.300 -0.061 0.000 1.387 120 I CB 0.644 38.598 38.000 -0.077 0.000 1.404 120 I HN 0.245 nan 8.210 nan 0.000 0.528 121 D N 2.888 123.283 120.400 -0.007 0.000 2.539 121 D HA 0.024 4.663 4.640 -0.002 0.000 0.232 121 D C 0.877 177.171 176.300 -0.010 0.000 1.256 121 D CA -0.066 53.934 54.000 0.000 0.000 0.810 121 D CB 0.100 40.901 40.800 0.001 0.000 1.090 121 D HN 0.301 nan 8.370 nan 0.000 0.519 122 E N 0.724 120.915 120.200 -0.015 0.000 2.274 122 E HA 0.049 4.398 4.350 -0.002 0.000 0.194 122 E C 0.235 176.817 176.600 -0.031 0.000 0.996 122 E CA 0.770 57.155 56.400 -0.026 0.000 0.840 122 E CB 0.277 29.958 29.700 -0.033 0.000 0.772 122 E HN 0.533 nan 8.360 nan 0.000 0.491 123 E N 0.328 120.515 120.200 -0.021 0.000 2.290 123 E HA 0.108 4.457 4.350 -0.002 0.000 0.274 123 E C -1.480 175.105 176.600 -0.025 0.000 0.889 123 E CA -0.768 55.610 56.400 -0.036 0.000 0.760 123 E CB 1.171 30.841 29.700 -0.050 0.000 1.206 123 E HN -0.147 nan 8.360 nan 0.000 0.419 124 D N 2.477 122.854 120.400 -0.038 0.000 2.488 124 D HA -0.014 4.625 4.640 -0.002 0.000 0.238 124 D C -0.044 176.241 176.300 -0.026 0.000 1.138 124 D CA 0.504 54.488 54.000 -0.026 0.000 0.873 124 D CB 0.644 41.416 40.800 -0.047 0.000 1.183 124 D HN 0.338 nan 8.370 nan 0.000 0.458 125 V N 4.276 124.202 119.914 0.019 0.000 5.919 125 V HA -0.161 3.958 4.120 -0.002 0.000 0.195 125 V C -1.924 174.069 176.094 -0.167 0.000 0.690 125 V CA 0.551 62.867 62.300 0.026 0.000 0.572 125 V CB -1.464 30.386 31.823 0.045 0.000 0.449 125 V HN 0.689 nan 8.190 nan 0.000 0.430 126 P HA 0.437 nan 4.420 nan 0.000 0.225 126 P C 0.254 177.136 177.300 -0.697 0.000 1.813 126 P CA 0.604 63.581 63.100 -0.205 0.000 1.013 126 P CB 0.539 32.313 31.700 0.124 0.000 1.961 127 A N 3.163 125.316 122.820 -1.113 0.000 2.354 127 A HA 0.561 4.880 4.320 -0.002 0.000 0.269 127 A C 0.076 176.988 177.584 -1.121 0.000 1.109 127 A CA -0.426 50.455 52.037 -1.927 0.000 0.800 127 A CB 0.212 18.486 19.000 -1.211 0.000 1.045 127 A HN 0.390 nan 8.150 nan 0.000 0.489 128 I N 2.094 121.971 120.570 -1.155 0.000 2.468 128 I HA 0.318 4.487 4.170 -0.002 0.000 0.285 128 I C -0.705 175.005 176.117 -0.678 0.000 1.039 128 I CA -0.364 60.448 61.300 -0.812 0.000 1.074 128 I CB 1.830 39.506 38.000 -0.540 0.000 1.228 128 I HN 0.600 nan 8.210 nan 0.000 0.436 129 E N 5.691 125.249 120.200 -1.069 0.000 2.238 129 E HA 0.417 4.766 4.350 -0.002 0.000 0.267 129 E C -0.420 176.078 176.600 -0.171 0.000 0.887 129 E CA -0.541 55.584 56.400 -0.459 0.000 0.769 129 E CB 3.279 32.755 29.700 -0.373 0.000 1.187 129 E HN 0.434 nan 8.360 nan 0.000 0.416 130 V N 0.223 120.160 119.914 0.038 0.000 2.727 130 V HA 0.373 4.492 4.120 -0.002 0.000 0.336 130 V C 0.594 176.856 176.094 0.282 0.000 1.228 130 V CA -0.565 61.877 62.300 0.236 0.000 1.270 130 V CB 0.110 32.029 31.823 0.159 0.000 1.486 130 V HN 0.413 nan 8.190 nan 0.000 0.638 131 R N 1.259 121.859 120.500 0.168 0.000 2.308 131 R HA 0.500 4.839 4.340 -0.002 0.000 0.202 131 R C 1.182 177.524 176.300 0.070 0.000 0.898 131 R CA 0.681 56.852 56.100 0.120 0.000 1.046 131 R CB 0.464 30.836 30.300 0.121 0.000 1.026 131 R HN 0.657 nan 8.270 nan 0.000 0.512 132 A N 1.322 124.164 122.820 0.037 0.000 2.584 132 A HA 0.142 4.461 4.320 -0.002 0.000 0.239 132 A C 1.227 178.799 177.584 -0.020 0.000 1.043 132 A CA 0.322 52.365 52.037 0.009 0.000 0.756 132 A CB 0.364 19.327 19.000 -0.061 0.000 0.963 132 A HN -0.004 nan 8.150 nan 0.000 0.511 133 V N 3.473 123.414 119.914 0.046 0.000 3.204 133 V HA 0.032 4.152 4.120 -0.002 0.000 0.218 133 V C 2.305 178.508 176.094 0.182 0.000 1.159 133 V CA 0.999 63.351 62.300 0.086 0.000 1.282 133 V CB -0.984 30.861 31.823 0.037 0.000 1.225 133 V HN 1.034 nan 8.190 nan 0.000 0.509 134 K N 0.520 120.991 120.400 0.118 0.000 2.074 134 K HA -0.182 4.137 4.320 -0.002 0.000 0.209 134 K C 1.943 178.509 176.600 -0.056 0.000 1.048 134 K CA 1.884 58.211 56.287 0.067 0.000 0.926 134 K CB -0.053 32.464 32.500 0.028 0.000 0.713 134 K HN 0.293 nan 8.250 nan 0.000 0.444 135 R N 0.398 120.893 120.500 -0.008 0.000 2.359 135 R HA 0.111 4.450 4.340 -0.002 0.000 0.231 135 R C 0.041 176.330 176.300 -0.019 0.000 0.913 135 R CA -0.372 55.708 56.100 -0.035 0.000 1.075 135 R CB 0.041 30.390 30.300 0.082 0.000 1.087 135 R HN 0.132 nan 8.270 nan 0.000 0.515 136 N N 2.361 121.074 118.700 0.021 0.000 2.468 136 N HA -0.004 4.735 4.740 -0.002 0.000 0.265 136 N C -1.628 173.961 175.510 0.131 0.000 1.199 136 N CA -1.426 51.633 53.050 0.015 0.000 0.928 136 N CB 1.281 39.763 38.487 -0.009 0.000 1.059 136 N HN -0.050 nan 8.380 nan 0.000 0.467 137 P HA -0.029 nan 4.420 nan 0.000 0.223 137 P C 0.306 177.773 177.300 0.278 0.000 1.151 137 P CA 0.946 64.119 63.100 0.123 0.000 0.787 137 P CB 0.508 32.241 31.700 0.055 0.000 0.788 138 L N -0.200 121.156 121.223 0.222 0.000 2.399 138 L HA 0.290 4.629 4.340 -0.002 0.000 0.265 138 L C 0.957 177.903 176.870 0.126 0.000 1.089 138 L CA -1.042 53.910 54.840 0.186 0.000 0.802 138 L CB 0.292 42.431 42.059 0.134 0.000 1.180 138 L HN -0.094 nan 8.230 nan 0.000 0.454 139 Q N 2.055 121.771 119.800 -0.141 0.000 2.262 139 Q HA -0.011 4.328 4.340 -0.002 0.000 0.298 139 Q C -1.924 173.927 176.000 -0.247 0.000 1.083 139 Q CA -0.866 54.657 55.803 -0.467 0.000 0.962 139 Q CB 1.297 29.765 28.738 -0.451 0.000 1.104 139 Q HN 0.299 nan 8.270 nan 0.000 0.376 140 P HA -0.132 nan 4.420 nan 0.000 0.216 140 P C 0.627 177.964 177.300 0.061 0.000 1.153 140 P CA 1.925 64.997 63.100 -0.046 0.000 0.848 140 P CB 0.077 31.746 31.700 -0.052 0.000 0.787 141 A N -0.477 122.411 122.820 0.113 0.000 1.902 141 A HA -0.192 4.127 4.320 -0.002 0.000 0.217 141 A C 2.139 179.747 177.584 0.041 0.000 1.181 141 A CA 1.556 53.775 52.037 0.304 0.000 0.623 141 A CB -1.720 17.558 19.000 0.462 0.000 0.818 141 A HN 0.163 nan 8.150 nan 0.000 0.443 142 L N -1.367 119.568 121.223 -0.480 0.000 2.012 142 L HA -0.191 4.148 4.340 -0.002 0.000 0.210 142 L C 2.308 178.980 176.870 -0.331 0.000 1.073 142 L CA 2.629 56.893 54.840 -0.960 0.000 0.748 142 L CB -1.051 40.167 42.059 -1.401 0.000 0.891 142 L HN 0.534 nan 8.230 nan 0.000 0.431 143 Y N 0.498 120.639 120.300 -0.266 0.000 2.114 143 Y HA -0.326 4.222 4.550 -0.003 0.000 0.282 143 Y C 2.659 178.506 175.900 -0.088 0.000 1.165 143 Y CA 2.263 60.282 58.100 -0.135 0.000 1.148 143 Y CB -0.181 38.237 38.460 -0.069 0.000 0.972 143 Y HN 0.184 nan 8.280 nan 0.000 0.504 144 R N -0.392 120.168 120.500 0.099 0.000 2.096 144 R HA -0.156 4.183 4.340 -0.002 0.000 0.235 144 R C 2.020 178.245 176.300 -0.126 0.000 1.127 144 R CA 1.540 57.627 56.100 -0.021 0.000 0.968 144 R CB -0.326 30.009 30.300 0.058 0.000 0.861 144 R HN 0.345 nan 8.270 nan 0.000 0.440 145 I N 1.130 121.663 120.570 -0.062 0.000 2.315 145 I HA -0.202 3.967 4.170 -0.002 0.000 0.248 145 I C 2.256 178.399 176.117 0.043 0.000 1.117 145 I CA 1.303 62.609 61.300 0.010 0.000 1.404 145 I CB -0.903 37.187 38.000 0.150 0.000 1.071 145 I HN 0.194 nan 8.210 nan 0.000 0.419 146 L N -0.272 120.916 121.223 -0.059 0.000 2.046 146 L HA -0.193 4.146 4.340 -0.002 0.000 0.208 146 L C 2.656 179.492 176.870 -0.057 0.000 1.077 146 L CA 0.906 55.717 54.840 -0.048 0.000 0.747 146 L CB -0.726 41.252 42.059 -0.135 0.000 0.896 146 L HN 0.037 nan 8.230 nan 0.000 0.432 147 V N -0.188 119.627 119.914 -0.165 0.000 2.261 147 V HA -0.268 3.851 4.120 -0.002 0.000 0.246 147 V C 2.760 178.804 176.094 -0.084 0.000 1.047 147 V CA 1.707 63.918 62.300 -0.149 0.000 1.015 147 V CB -0.720 30.973 31.823 -0.217 0.000 0.642 147 V HN 0.484 nan 8.190 nan 0.000 0.446 148 R N -0.209 120.212 120.500 -0.132 0.000 2.096 148 R HA -0.208 4.131 4.340 -0.002 0.000 0.240 148 R C 1.989 178.165 176.300 -0.208 0.000 1.139 148 R CA 2.131 58.110 56.100 -0.201 0.000 0.952 148 R CB -0.686 29.412 30.300 -0.337 0.000 0.854 148 R HN 0.596 nan 8.270 nan 0.000 0.436 149 Y N -0.288 120.021 120.300 0.015 0.000 2.471 149 Y HA 0.158 4.706 4.550 -0.002 0.000 0.286 149 Y C 1.310 177.251 175.900 0.069 0.000 1.188 149 Y CA 0.386 58.514 58.100 0.045 0.000 1.286 149 Y CB 0.218 38.704 38.460 0.044 0.000 1.072 149 Y HN 0.445 nan 8.280 nan 0.000 0.517 150 G N 1.098 109.990 108.800 0.153 0.000 2.273 150 G HA2 -0.310 3.650 3.960 -0.002 0.000 0.280 150 G HA3 -0.310 3.650 3.960 -0.002 0.000 0.280 150 G C 0.184 175.212 174.900 0.214 0.000 1.047 150 G CA -0.302 44.888 45.100 0.150 0.000 0.869 150 G HN 0.169 nan 8.290 nan 0.000 0.502 151 R N 0.412 121.011 120.500 0.165 0.000 4.138 151 R HA 0.301 4.640 4.340 -0.002 0.000 0.206 151 R C 1.720 178.051 176.300 0.052 0.000 1.667 151 R CA -0.053 56.128 56.100 0.136 0.000 1.481 151 R CB -0.191 30.145 30.300 0.061 0.000 1.388 151 R HN 0.314 nan 8.270 nan 0.000 0.776 152 V N 0.939 120.922 119.914 0.116 0.000 2.568 152 V HA -0.284 3.835 4.120 -0.002 0.000 0.253 152 V C 2.048 178.187 176.094 0.076 0.000 1.072 152 V CA 2.237 64.592 62.300 0.092 0.000 1.084 152 V CB -0.406 31.501 31.823 0.141 0.000 0.676 152 V HN 0.500 nan 8.190 nan 0.000 0.469 153 D N 0.323 120.639 120.400 -0.139 0.000 2.144 153 D HA -0.175 4.464 4.640 -0.002 0.000 0.200 153 D C 1.910 178.163 176.300 -0.078 0.000 0.978 153 D CA 1.353 55.190 54.000 -0.272 0.000 0.833 153 D CB -0.325 40.045 40.800 -0.716 0.000 0.961 153 D HN 0.453 nan 8.370 nan 0.000 0.470 154 L N -1.168 120.016 121.223 -0.065 0.000 2.354 154 L HA 0.175 4.514 4.340 -0.002 0.000 0.212 154 L C 1.136 178.017 176.870 0.018 0.000 1.091 154 L CA -0.282 54.549 54.840 -0.015 0.000 0.828 154 L CB -0.148 41.880 42.059 -0.052 0.000 0.973 154 L HN 0.010 nan 8.230 nan 0.000 0.461 155 M N 2.108 121.705 119.600 -0.005 0.000 2.251 155 M HA 0.242 4.721 4.480 -0.002 0.000 0.346 155 M C -2.353 173.843 176.300 -0.174 0.000 1.499 155 M CA -1.977 53.279 55.300 -0.073 0.000 1.128 155 M CB 0.312 32.844 32.600 -0.112 0.000 1.809 155 M HN -0.287 nan 8.290 nan 0.000 0.464 156 P HA 0.021 nan 4.420 nan 0.000 0.269 156 P C 0.209 177.321 177.300 -0.314 0.000 1.215 156 P CA -0.227 62.733 63.100 -0.233 0.000 0.780 156 P CB 0.396 32.051 31.700 -0.074 0.000 0.898 157 V N -1.489 118.187 119.914 -0.397 0.000 3.578 157 V HA 0.303 4.422 4.120 -0.002 0.000 0.290 157 V C 0.412 176.414 176.094 -0.155 0.000 1.376 157 V CA 0.425 62.553 62.300 -0.286 0.000 1.083 157 V CB -0.089 31.540 31.823 -0.323 0.000 0.911 157 V HN 0.513 nan 8.190 nan 0.000 0.433 158 T N -1.092 113.392 114.554 -0.116 0.000 2.923 158 T HA 0.485 4.834 4.350 -0.002 0.000 0.311 158 T C 0.561 175.233 174.700 -0.046 0.000 1.183 158 T CA 0.142 62.198 62.100 -0.073 0.000 1.020 158 T CB 2.146 70.982 68.868 -0.053 0.000 1.165 158 T HN -0.196 nan 8.240 nan 0.000 0.482 159 V N 2.655 122.547 119.914 -0.037 0.000 2.332 159 V HA -0.120 3.999 4.120 -0.002 0.000 0.248 159 V C 2.084 178.177 176.094 -0.001 0.000 1.055 159 V CA 2.012 64.303 62.300 -0.015 0.000 1.038 159 V CB -0.296 31.517 31.823 -0.018 0.000 0.651 159 V HN 0.820 nan 8.190 nan 0.000 0.450 160 D N -0.223 120.174 120.400 -0.005 0.000 2.263 160 D HA -0.126 4.513 4.640 -0.002 0.000 0.208 160 D C 1.937 178.245 176.300 0.012 0.000 0.971 160 D CA 0.915 54.918 54.000 0.005 0.000 0.867 160 D CB -0.083 40.718 40.800 0.002 0.000 0.929 160 D HN 0.587 nan 8.370 nan 0.000 0.492 161 E N -0.143 120.061 120.200 0.007 0.000 2.474 161 E HA 0.076 4.425 4.350 -0.002 0.000 0.195 161 E C -0.074 176.540 176.600 0.024 0.000 1.039 161 E CA -0.158 56.252 56.400 0.016 0.000 0.881 161 E CB 1.050 30.758 29.700 0.012 0.000 0.970 161 E HN -0.031 nan 8.360 nan 0.000 0.486 162 V N 3.930 123.861 119.914 0.028 0.000 2.479 162 V HA 0.072 4.191 4.120 -0.002 0.000 0.281 162 V C -2.092 174.040 176.094 0.063 0.000 1.031 162 V CA -1.393 60.935 62.300 0.047 0.000 1.038 162 V CB 0.140 32.001 31.823 0.064 0.000 0.981 162 V HN 0.040 nan 8.190 nan 0.000 0.478 163 P HA 0.229 nan 4.420 nan 0.000 0.271 163 P C -2.139 175.220 177.300 0.098 0.000 1.216 163 P CA -1.612 61.532 63.100 0.074 0.000 0.771 163 P CB 0.334 32.077 31.700 0.071 0.000 0.864 164 P HA -0.222 nan 4.420 nan 0.000 0.217 164 P C 1.147 178.532 177.300 0.143 0.000 1.148 164 P CA 1.482 64.656 63.100 0.122 0.000 0.828 164 P CB -0.225 31.532 31.700 0.094 0.000 0.783 165 E N -1.080 119.194 120.200 0.124 0.000 2.478 165 E HA -0.076 4.273 4.350 -0.002 0.000 0.198 165 E C 1.364 178.087 176.600 0.204 0.000 1.046 165 E CA 0.638 57.129 56.400 0.152 0.000 0.870 165 E CB -0.646 29.129 29.700 0.124 0.000 0.818 165 E HN 0.268 nan 8.360 nan 0.000 0.527 166 M N 0.206 119.900 119.600 0.157 0.000 2.356 166 M HA 0.357 4.836 4.480 -0.002 0.000 0.262 166 M C 0.680 177.055 176.300 0.126 0.000 1.097 166 M CA 0.063 55.428 55.300 0.107 0.000 0.991 166 M CB 0.987 33.616 32.600 0.048 0.000 1.450 166 M HN 0.325 nan 8.290 nan 0.000 0.495 167 A N -0.342 122.603 122.820 0.209 0.000 2.254 167 A HA 0.633 4.952 4.320 -0.002 0.000 0.186 167 A C 1.513 179.267 177.584 0.285 0.000 1.413 167 A CA 0.456 52.646 52.037 0.254 0.000 1.742 167 A CB -1.124 18.113 19.000 0.394 0.000 2.016 167 A HN 0.261 nan 8.150 nan 0.000 0.796 168 G N -0.283 108.763 108.800 0.411 0.000 2.432 168 G HA2 -0.009 3.950 3.960 -0.002 0.000 0.219 168 G HA3 -0.009 3.950 3.960 -0.002 0.000 0.219 168 G C 0.526 175.566 174.900 0.232 0.000 1.135 168 G CA 1.273 46.601 45.100 0.381 0.000 0.767 168 G HN 0.442 nan 8.290 nan 0.000 0.550 169 E N 0.725 121.028 120.200 0.173 0.000 2.499 169 E HA 0.138 4.487 4.350 -0.002 0.000 0.207 169 E C 1.411 178.022 176.600 0.019 0.000 1.034 169 E CA -0.629 55.794 56.400 0.039 0.000 1.098 169 E CB -0.423 29.306 29.700 0.049 0.000 1.148 169 E HN 0.643 nan 8.360 nan 0.000 0.447 170 F N 0.834 120.850 119.950 0.110 0.000 2.236 170 F HA -0.113 4.412 4.527 -0.003 0.000 0.302 170 F C 1.588 177.508 175.800 0.199 0.000 1.073 170 F CA 0.907 59.033 58.000 0.210 0.000 1.336 170 F CB -0.167 39.003 39.000 0.283 0.000 1.040 170 F HN -0.085 nan 8.300 nan 0.000 0.507 171 E N 1.111 120.863 120.200 -0.746 0.000 2.160 171 E HA -0.176 4.173 4.350 -0.002 0.000 0.195 171 E C 2.212 178.722 176.600 -0.150 0.000 0.991 171 E CA 0.917 57.016 56.400 -0.501 0.000 0.810 171 E CB -0.279 29.087 29.700 -0.555 0.000 0.742 171 E HN 0.485 nan 8.360 nan 0.000 0.466 172 R N 0.332 120.785 120.500 -0.080 0.000 2.120 172 R HA -0.113 4.226 4.340 -0.002 0.000 0.234 172 R C 2.362 178.692 176.300 0.050 0.000 1.123 172 R CA 0.489 56.579 56.100 -0.016 0.000 0.975 172 R CB -0.826 29.473 30.300 -0.002 0.000 0.866 172 R HN 0.175 nan 8.270 nan 0.000 0.446 173 L N 0.987 122.305 121.223 0.159 0.000 2.109 173 L HA 0.010 4.349 4.340 -0.002 0.000 0.207 173 L C 2.127 179.170 176.870 0.288 0.000 1.086 173 L CA 1.341 56.345 54.840 0.273 0.000 0.760 173 L CB -0.346 41.971 42.059 0.430 0.000 0.910 173 L HN 0.024 nan 8.230 nan 0.000 0.437 174 I N -0.609 120.078 120.570 0.195 0.000 2.226 174 I HA -0.286 3.883 4.170 -0.002 0.000 0.245 174 I C 2.224 178.371 176.117 0.050 0.000 1.100 174 I CA 1.436 62.772 61.300 0.060 0.000 1.374 174 I CB -0.384 37.548 38.000 -0.115 0.000 1.057 174 I HN 0.341 nan 8.210 nan 0.000 0.413 175 E N 0.371 120.574 120.200 0.004 0.000 2.204 175 E HA -0.218 4.131 4.350 -0.002 0.000 0.194 175 E C 2.210 178.788 176.600 -0.036 0.000 0.989 175 E CA 0.567 56.952 56.400 -0.024 0.000 0.824 175 E CB -0.076 29.594 29.700 -0.050 0.000 0.756 175 E HN 0.327 nan 8.360 nan 0.000 0.477 176 R N -0.145 120.317 120.500 -0.063 0.000 2.115 176 R HA -0.121 4.218 4.340 -0.002 0.000 0.230 176 R C 1.111 177.204 176.300 -0.346 0.000 1.111 176 R CA 1.209 57.170 56.100 -0.232 0.000 0.976 176 R CB 0.067 30.155 30.300 -0.354 0.000 0.870 176 R HN 0.224 nan 8.270 nan 0.000 0.445 177 Y N -0.297 120.016 120.300 0.022 0.000 2.462 177 Y HA 0.129 4.678 4.550 -0.002 0.000 0.261 177 Y C 0.179 176.083 175.900 0.006 0.000 1.146 177 Y CA 0.043 58.154 58.100 0.019 0.000 1.283 177 Y CB 0.616 39.096 38.460 0.032 0.000 1.090 177 Y HN 0.091 nan 8.280 nan 0.000 0.526 178 D N 1.362 121.817 120.400 0.092 0.000 2.699 178 D HA -0.149 4.490 4.640 -0.002 0.000 0.239 178 D C -0.393 175.939 176.300 0.054 0.000 1.136 178 D CA 0.631 54.659 54.000 0.047 0.000 0.668 178 D CB -0.892 39.924 40.800 0.026 0.000 1.060 178 D HN 0.203 nan 8.370 nan 0.000 0.429 179 V N -1.414 118.536 119.914 0.061 0.000 2.953 179 V HA 0.714 4.833 4.120 -0.002 0.000 0.304 179 V C -1.642 174.458 176.094 0.010 0.000 1.073 179 V CA -1.170 61.153 62.300 0.038 0.000 1.064 179 V CB 0.948 32.793 31.823 0.036 0.000 1.047 179 V HN 0.083 nan 8.190 nan 0.000 0.478 180 P HA 0.485 nan 4.420 nan 0.000 0.275 180 P C -0.885 176.404 177.300 -0.019 0.000 1.228 180 P CA -0.040 63.056 63.100 -0.006 0.000 0.786 180 P CB 0.860 32.559 31.700 -0.002 0.000 0.927 181 I N 1.904 122.459 120.570 -0.026 0.000 2.478 181 I HA 0.182 4.351 4.170 -0.002 0.000 0.287 181 I C 0.215 176.312 176.117 -0.033 0.000 1.042 181 I CA -0.861 60.415 61.300 -0.040 0.000 1.067 181 I CB 1.926 39.895 38.000 -0.052 0.000 1.233 181 I HN 0.355 nan 8.210 nan 0.000 0.431 182 D N 3.882 124.262 120.400 -0.034 0.000 2.423 182 D HA 0.180 4.819 4.640 -0.002 0.000 0.255 182 D C 0.730 177.012 176.300 -0.031 0.000 1.174 182 D CA -0.464 53.520 54.000 -0.027 0.000 1.008 182 D CB 0.809 41.596 40.800 -0.023 0.000 1.101 182 D HN 0.513 nan 8.370 nan 0.000 0.516 183 E N -0.532 119.653 120.200 -0.026 0.000 2.085 183 E HA -0.255 4.094 4.350 -0.002 0.000 0.194 183 E C 1.696 178.278 176.600 -0.030 0.000 0.994 183 E CA 1.110 57.495 56.400 -0.025 0.000 0.801 183 E CB -0.105 29.583 29.700 -0.020 0.000 0.743 183 E HN 0.513 nan 8.360 nan 0.000 0.453 184 K N 1.191 121.572 120.400 -0.032 0.000 2.057 184 K HA -0.208 4.111 4.320 -0.002 0.000 0.207 184 K C 1.885 178.454 176.600 -0.051 0.000 1.049 184 K CA 1.489 57.753 56.287 -0.039 0.000 0.931 184 K CB 0.077 32.553 32.500 -0.040 0.000 0.714 184 K HN 0.076 nan 8.250 nan 0.000 0.440 185 E N 0.152 120.319 120.200 -0.056 0.000 2.150 185 E HA -0.209 4.140 4.350 -0.002 0.000 0.193 185 E C 1.869 178.430 176.600 -0.065 0.000 0.985 185 E CA 1.115 57.471 56.400 -0.073 0.000 0.814 185 E CB 0.052 29.705 29.700 -0.078 0.000 0.752 185 E HN 0.284 nan 8.360 nan 0.000 0.466 186 E N 1.251 121.421 120.200 -0.050 0.000 2.106 186 E HA -0.149 4.200 4.350 -0.002 0.000 0.192 186 E C 1.810 178.391 176.600 -0.031 0.000 0.984 186 E CA 1.180 57.556 56.400 -0.040 0.000 0.806 186 E CB 0.077 29.757 29.700 -0.033 0.000 0.750 186 E HN 0.113 nan 8.360 nan 0.000 0.458 187 R N -0.193 120.288 120.500 -0.032 0.000 2.096 187 R HA -0.044 4.295 4.340 -0.002 0.000 0.235 187 R C 2.486 178.770 176.300 -0.027 0.000 1.127 187 R CA 1.527 57.611 56.100 -0.026 0.000 0.968 187 R CB -0.396 29.888 30.300 -0.026 0.000 0.861 187 R HN 0.285 nan 8.270 nan 0.000 0.440 188 I N 0.863 121.407 120.570 -0.043 0.000 2.252 188 I HA -0.276 3.893 4.170 -0.002 0.000 0.245 188 I C 2.203 178.305 176.117 -0.026 0.000 1.102 188 I CA 1.249 62.517 61.300 -0.054 0.000 1.385 188 I CB -0.258 37.683 38.000 -0.099 0.000 1.064 188 I HN 0.133 nan 8.210 nan 0.000 0.414 189 L N 0.385 121.598 121.223 -0.016 0.000 2.127 189 L HA -0.219 4.120 4.340 -0.002 0.000 0.211 189 L C 2.486 179.392 176.870 0.060 0.000 1.089 189 L CA 1.407 56.274 54.840 0.045 0.000 0.757 189 L CB -0.622 41.450 42.059 0.021 0.000 0.899 189 L HN 0.301 nan 8.230 nan 0.000 0.434 190 E N 0.275 120.488 120.200 0.021 0.000 2.085 190 E HA -0.231 4.118 4.350 -0.002 0.000 0.194 190 E C 2.258 178.881 176.600 0.038 0.000 0.994 190 E CA 1.265 57.678 56.400 0.022 0.000 0.801 190 E CB -0.082 29.622 29.700 0.005 0.000 0.743 190 E HN 0.524 nan 8.360 nan 0.000 0.453 191 I N 0.827 121.417 120.570 0.033 0.000 2.286 191 I HA -0.238 3.931 4.170 -0.002 0.000 0.245 191 I C 2.307 178.466 176.117 0.069 0.000 1.104 191 I CA 0.818 62.142 61.300 0.040 0.000 1.397 191 I CB -0.154 37.859 38.000 0.021 0.000 1.072 191 I HN 0.112 nan 8.210 nan 0.000 0.417 192 L N 0.276 121.548 121.223 0.081 0.000 2.131 192 L HA -0.180 4.159 4.340 -0.002 0.000 0.210 192 L C 2.707 179.729 176.870 0.253 0.000 1.092 192 L CA 1.184 56.094 54.840 0.117 0.000 0.759 192 L CB -0.559 41.535 42.059 0.057 0.000 0.903 192 L HN 0.202 nan 8.230 nan 0.000 0.435 193 R N -0.117 120.514 120.500 0.218 0.000 2.096 193 R HA -0.215 4.125 4.340 -0.002 0.000 0.235 193 R C 2.211 178.588 176.300 0.128 0.000 1.127 193 R CA 1.564 57.754 56.100 0.150 0.000 0.968 193 R CB -0.238 30.095 30.300 0.054 0.000 0.861 193 R HN 0.431 nan 8.270 nan 0.000 0.440 194 E N 0.559 120.824 120.200 0.109 0.000 2.047 194 E HA -0.163 4.186 4.350 -0.002 0.000 0.191 194 E C -0.059 176.624 176.600 0.138 0.000 0.987 194 E CA 0.893 57.353 56.400 0.099 0.000 0.799 194 E CB 0.196 29.940 29.700 0.074 0.000 0.752 194 E HN 0.034 nan 8.360 nan 0.000 0.449 195 N N -0.778 118.016 118.700 0.157 0.000 2.629 195 N HA 0.165 4.904 4.740 -0.002 0.000 0.277 195 N C -2.570 173.046 175.510 0.177 0.000 1.188 195 N CA -1.718 51.462 53.050 0.216 0.000 0.835 195 N CB 1.773 40.374 38.487 0.190 0.000 1.420 195 N HN -0.202 nan 8.380 nan 0.000 0.542 196 P HA 0.037 nan 4.420 nan 0.000 0.228 196 P C 0.433 177.438 177.300 -0.491 0.000 1.151 196 P CA 0.936 63.857 63.100 -0.298 0.000 0.770 196 P CB 0.094 31.430 31.700 -0.606 0.000 0.786 197 W N -0.634 120.687 121.300 0.034 0.000 3.223 197 W HA 0.196 4.855 4.660 -0.002 0.000 0.389 197 W C -0.129 176.401 176.519 0.019 0.000 1.118 197 W CA -0.071 57.283 57.345 0.014 0.000 1.902 197 W CB -0.570 28.897 29.460 0.011 0.000 1.094 197 W HN -0.175 nan 8.180 nan 0.000 0.666 198 T N 3.182 117.825 114.554 0.149 0.000 2.867 198 T HA 0.061 4.410 4.350 -0.002 0.000 0.297 198 T C -2.139 172.626 174.700 0.108 0.000 0.989 198 T CA -0.665 61.506 62.100 0.119 0.000 1.159 198 T CB 0.646 69.567 68.868 0.088 0.000 0.928 198 T HN -0.271 nan 8.240 nan 0.000 0.538 199 P HA 0.090 nan 4.420 nan 0.000 0.267 199 P C 0.703 178.085 177.300 0.137 0.000 1.200 199 P CA -0.090 63.050 63.100 0.066 0.000 0.772 199 P CB 0.422 32.163 31.700 0.069 0.000 0.855 200 H N 1.201 120.274 119.070 0.005 0.000 2.387 200 H HA -0.176 4.379 4.556 -0.002 0.000 0.299 200 H C 1.717 177.050 175.328 0.008 0.000 1.099 200 H CA 1.176 57.209 56.048 -0.025 0.000 1.315 200 H CB 0.083 29.804 29.762 -0.068 0.000 1.380 200 H HN 0.628 nan 8.280 nan 0.000 0.513 201 D N 1.158 121.657 120.400 0.164 0.000 2.144 201 D HA -0.216 4.423 4.640 -0.002 0.000 0.199 201 D C 1.908 178.301 176.300 0.155 0.000 0.984 201 D CA 1.329 55.422 54.000 0.155 0.000 0.834 201 D CB -0.222 40.676 40.800 0.164 0.000 0.955 201 D HN 0.566 nan 8.370 nan 0.000 0.465 202 E N 0.774 121.047 120.200 0.122 0.000 2.072 202 E HA -0.133 4.216 4.350 -0.002 0.000 0.191 202 E C 2.575 179.204 176.600 0.049 0.000 0.985 202 E CA 0.592 57.036 56.400 0.073 0.000 0.801 202 E CB -0.120 29.617 29.700 0.062 0.000 0.750 202 E HN 0.360 nan 8.360 nan 0.000 0.452 203 I N 1.229 121.832 120.570 0.056 0.000 2.163 203 I HA -0.295 3.874 4.170 -0.002 0.000 0.243 203 I C 2.647 178.771 176.117 0.011 0.000 1.085 203 I CA 1.171 62.485 61.300 0.023 0.000 1.347 203 I CB -0.457 37.543 38.000 -0.000 0.000 1.044 203 I HN 0.229 nan 8.210 nan 0.000 0.408 204 A N 0.700 123.536 122.820 0.027 0.000 1.877 204 A HA -0.253 4.066 4.320 -0.002 0.000 0.216 204 A C 2.470 180.076 177.584 0.038 0.000 1.186 204 A CA 1.834 53.887 52.037 0.027 0.000 0.620 204 A CB -0.695 18.333 19.000 0.047 0.000 0.822 204 A HN 0.342 nan 8.150 nan 0.000 0.443 205 R N -0.501 120.032 120.500 0.055 0.000 2.081 205 R HA -0.124 4.215 4.340 -0.002 0.000 0.235 205 R C 2.368 178.659 176.300 -0.014 0.000 1.131 205 R CA 1.692 57.806 56.100 0.023 0.000 0.960 205 R CB -0.219 30.052 30.300 -0.048 0.000 0.856 205 R HN 0.522 nan 8.270 nan 0.000 0.436 206 R N -0.110 120.382 120.500 -0.015 0.000 2.148 206 R HA -0.011 4.328 4.340 -0.002 0.000 0.227 206 R C 1.977 178.270 176.300 -0.011 0.000 1.103 206 R CA 0.915 57.004 56.100 -0.018 0.000 0.983 206 R CB -0.001 30.292 30.300 -0.012 0.000 0.874 206 R HN 0.279 nan 8.270 nan 0.000 0.451 207 L N -0.590 120.629 121.223 -0.006 0.000 2.592 207 L HA 0.231 4.570 4.340 -0.002 0.000 0.227 207 L C 0.859 177.727 176.870 -0.003 0.000 1.127 207 L CA 0.179 55.014 54.840 -0.008 0.000 0.884 207 L CB 0.242 42.292 42.059 -0.014 0.000 1.065 207 L HN 0.386 nan 8.230 nan 0.000 0.457 208 G N 1.309 110.111 108.800 0.003 0.000 2.246 208 G HA2 -0.267 3.692 3.960 -0.002 0.000 0.273 208 G HA3 -0.267 3.692 3.960 -0.002 0.000 0.273 208 G C -0.098 174.811 174.900 0.016 0.000 1.055 208 G CA 0.217 45.324 45.100 0.011 0.000 0.851 208 G HN 0.257 nan 8.290 nan 0.000 0.500 209 L N -0.141 121.091 121.223 0.015 0.000 2.286 209 L HA 0.771 5.110 4.340 -0.002 0.000 0.265 209 L C 1.159 178.044 176.870 0.025 0.000 1.012 209 L CA -0.623 54.223 54.840 0.011 0.000 0.818 209 L CB 1.821 43.874 42.059 -0.009 0.000 1.337 209 L HN 0.357 nan 8.230 nan 0.000 0.438 210 S N -0.779 114.932 115.700 0.019 0.000 2.617 210 S HA 0.235 4.704 4.470 -0.002 0.000 0.269 210 S C 0.922 175.530 174.600 0.014 0.000 1.292 210 S CA -0.828 57.390 58.200 0.029 0.000 1.010 210 S CB 1.563 64.781 63.200 0.030 0.000 0.944 210 S HN 0.323 nan 8.310 nan 0.000 0.536 211 V N 2.280 122.211 119.914 0.029 0.000 2.392 211 V HA -0.163 3.956 4.120 -0.002 0.000 0.249 211 V C 2.741 178.828 176.094 -0.011 0.000 1.059 211 V CA 2.350 64.661 62.300 0.018 0.000 1.051 211 V CB -1.393 30.462 31.823 0.052 0.000 0.658 211 V HN 0.969 nan 8.190 nan 0.000 0.455 212 S N -0.516 115.191 115.700 0.012 0.000 2.370 212 S HA -0.237 4.232 4.470 -0.002 0.000 0.226 212 S C 1.937 176.520 174.600 -0.028 0.000 1.033 212 S CA 1.664 59.871 58.200 0.011 0.000 1.011 212 S CB -0.265 62.951 63.200 0.027 0.000 0.852 212 S HN 0.709 nan 8.310 nan 0.000 0.457 213 E N 0.308 120.483 120.200 -0.041 0.000 2.106 213 E HA -0.067 4.282 4.350 -0.002 0.000 0.192 213 E C 2.050 178.600 176.600 -0.083 0.000 0.984 213 E CA 0.840 57.206 56.400 -0.056 0.000 0.806 213 E CB -0.101 29.572 29.700 -0.045 0.000 0.750 213 E HN 0.252 nan 8.360 nan 0.000 0.458 214 V N 1.467 121.316 119.914 -0.108 0.000 2.427 214 V HA -0.240 3.879 4.120 -0.002 0.000 0.248 214 V C 1.929 177.853 176.094 -0.285 0.000 1.051 214 V CA 1.820 64.012 62.300 -0.180 0.000 1.048 214 V CB -0.308 31.399 31.823 -0.193 0.000 0.666 214 V HN 0.232 nan 8.190 nan 0.000 0.456 215 E N -0.481 119.543 120.200 -0.293 0.000 2.086 215 E HA 0.250 4.599 4.350 -0.002 0.000 0.190 215 E C 1.381 177.889 176.600 -0.155 0.000 0.975 215 E CA 0.579 56.714 56.400 -0.442 0.000 0.813 215 E CB -0.080 29.374 29.700 -0.411 0.000 0.768 215 E HN 0.609 nan 8.360 nan 0.000 0.457 216 G N 1.753 110.536 108.800 -0.028 0.000 2.692 216 G HA2 -0.312 3.647 3.960 -0.002 0.000 0.248 216 G HA3 -0.312 3.647 3.960 -0.002 0.000 0.248 216 G C -0.323 174.685 174.900 0.181 0.000 1.340 216 G CA 0.178 45.312 45.100 0.058 0.000 0.896 216 G HN 0.276 nan 8.290 nan 0.000 0.570 217 E N -0.031 120.269 120.200 0.166 0.000 2.250 217 E HA 0.564 4.913 4.350 -0.002 0.000 0.269 217 E C 0.426 177.150 176.600 0.208 0.000 1.018 217 E CA -0.621 55.894 56.400 0.193 0.000 0.873 217 E CB 0.633 30.413 29.700 0.134 0.000 1.134 217 E HN 0.441 nan 8.360 nan 0.000 0.403 218 K N 2.677 123.170 120.400 0.155 0.000 2.480 218 K HA 0.179 4.498 4.320 -0.002 0.000 0.241 218 K C -0.988 175.711 176.600 0.164 0.000 1.261 218 K CA 0.055 56.406 56.287 0.107 0.000 1.193 218 K CB -0.392 32.041 32.500 -0.112 0.000 1.598 218 K HN 0.402 nan 8.250 nan 0.000 0.278 219 D N -0.509 120.012 120.400 0.201 0.000 2.717 219 D HA 0.154 4.793 4.640 -0.002 0.000 0.223 219 D C -2.344 174.055 176.300 0.164 0.000 1.240 219 D CA -1.773 52.351 54.000 0.206 0.000 0.801 219 D CB 2.048 42.927 40.800 0.131 0.000 1.556 219 D HN -0.188 nan 8.370 nan 0.000 0.462 220 P HA -0.079 nan 4.420 nan 0.000 0.219 220 P C 0.364 177.702 177.300 0.063 0.000 1.146 220 P CA 0.996 64.149 63.100 0.088 0.000 0.808 220 P CB 0.218 31.952 31.700 0.056 0.000 0.779 221 E N -0.923 119.313 120.200 0.061 0.000 2.481 221 E HA 0.015 4.364 4.350 -0.002 0.000 0.195 221 E C 1.148 177.770 176.600 0.038 0.000 1.047 221 E CA 0.059 56.484 56.400 0.041 0.000 0.867 221 E CB 0.016 29.736 29.700 0.035 0.000 0.858 221 E HN 0.186 nan 8.360 nan 0.000 0.513 222 S N -0.146 115.585 115.700 0.053 0.000 2.552 222 S HA 0.298 4.767 4.470 -0.002 0.000 0.271 222 S C -0.070 174.550 174.600 0.032 0.000 1.168 222 S CA -0.489 57.739 58.200 0.046 0.000 1.026 222 S CB 1.256 64.499 63.200 0.072 0.000 1.120 222 S HN 0.050 nan 8.310 nan 0.000 0.514 223 S N -0.864 114.850 115.700 0.023 0.000 2.614 223 S HA 0.683 5.152 4.470 -0.002 0.000 0.275 223 S C -0.510 174.082 174.600 -0.013 0.000 1.161 223 S CA 0.347 58.547 58.200 0.001 0.000 0.969 223 S CB 0.536 63.729 63.200 -0.011 0.000 1.059 223 S HN 1.610 nan 8.310 nan 0.000 0.482 224 G N 3.047 111.826 108.800 -0.034 0.000 2.369 224 G HA2 0.158 4.117 3.960 -0.002 0.000 0.307 224 G HA3 0.158 4.117 3.960 -0.002 0.000 0.307 224 G C 0.070 174.915 174.900 -0.092 0.000 1.327 224 G CA -0.238 44.815 45.100 -0.079 0.000 0.963 224 G HN 0.983 nan 8.290 nan 0.000 0.590 225 I N -0.165 120.293 120.570 -0.187 0.000 2.394 225 I HA 0.093 4.262 4.170 -0.002 0.000 0.251 225 I C 2.282 178.431 176.117 0.053 0.000 1.136 225 I CA 1.416 62.615 61.300 -0.169 0.000 1.425 225 I CB -0.502 37.333 38.000 -0.275 0.000 1.079 225 I HN 0.603 nan 8.210 nan 0.000 0.425 226 Y N -0.879 119.455 120.300 0.057 0.000 2.224 226 Y HA -0.251 4.297 4.550 -0.002 0.000 0.289 226 Y C 2.922 178.914 175.900 0.154 0.000 1.146 226 Y CA 1.048 59.233 58.100 0.143 0.000 1.182 226 Y CB -0.379 38.130 38.460 0.083 0.000 0.983 226 Y HN 0.204 nan 8.280 nan 0.000 0.524 227 S N 0.191 116.036 115.700 0.242 0.000 2.371 227 S HA -0.157 4.312 4.470 -0.002 0.000 0.224 227 S C 1.945 176.619 174.600 0.123 0.000 1.029 227 S CA 0.921 59.222 58.200 0.169 0.000 0.978 227 S CB -0.492 62.769 63.200 0.101 0.000 0.833 227 S HN 0.369 nan 8.310 nan 0.000 0.466 228 L N 0.472 121.723 121.223 0.047 0.000 2.017 228 L HA 0.086 4.425 4.340 -0.002 0.000 0.208 228 L C 1.927 178.802 176.870 0.009 0.000 1.073 228 L CA 1.903 56.716 54.840 -0.046 0.000 0.745 228 L CB -1.027 40.919 42.059 -0.188 0.000 0.894 228 L HN 0.513 nan 8.230 nan 0.000 0.432 229 W N -0.424 120.932 121.300 0.094 0.000 2.363 229 W HA -0.186 4.473 4.660 -0.001 0.000 0.296 229 W C 2.700 179.273 176.519 0.091 0.000 1.212 229 W CA 1.012 58.416 57.345 0.100 0.000 1.260 229 W CB -0.218 29.318 29.460 0.127 0.000 1.131 229 W HN 0.121 nan 8.180 nan 0.000 0.530 230 S N -0.180 115.744 115.700 0.374 0.000 2.368 230 S HA -0.208 4.261 4.470 -0.002 0.000 0.225 230 S C 1.680 176.335 174.600 0.092 0.000 1.030 230 S CA 1.229 59.604 58.200 0.291 0.000 0.999 230 S CB -0.403 63.034 63.200 0.394 0.000 0.844 230 S HN 0.245 nan 8.310 nan 0.000 0.459 231 R N 0.671 121.229 120.500 0.096 0.000 2.105 231 R HA -0.090 4.249 4.340 -0.002 0.000 0.239 231 R C 2.056 178.355 176.300 -0.002 0.000 1.135 231 R CA 1.316 57.434 56.100 0.030 0.000 0.967 231 R CB -0.350 29.969 30.300 0.031 0.000 0.861 231 R HN 0.258 nan 8.270 nan 0.000 0.442 232 V N -0.357 119.591 119.914 0.058 0.000 2.270 232 V HA -0.199 3.920 4.120 -0.002 0.000 0.245 232 V C 2.254 178.288 176.094 -0.099 0.000 1.043 232 V CA 1.571 63.900 62.300 0.048 0.000 1.014 232 V CB -0.242 31.738 31.823 0.262 0.000 0.645 232 V HN 0.166 nan 8.190 nan 0.000 0.447 233 V N 0.931 120.839 119.914 -0.011 0.000 2.407 233 V HA -0.192 3.927 4.120 -0.002 0.000 0.248 233 V C 2.525 178.455 176.094 -0.274 0.000 1.055 233 V CA 2.062 64.290 62.300 -0.121 0.000 1.049 233 V CB -0.433 31.359 31.823 -0.052 0.000 0.662 233 V HN 0.597 nan 8.190 nan 0.000 0.455 234 V N -1.523 118.186 119.914 -0.342 0.000 2.913 234 V HA -0.097 4.022 4.120 -0.002 0.000 0.260 234 V C 1.852 177.803 176.094 -0.238 0.000 1.098 234 V CA 2.187 64.282 62.300 -0.342 0.000 1.121 234 V CB -0.999 30.624 31.823 -0.334 0.000 0.714 234 V HN 0.495 nan 8.190 nan 0.000 0.487 235 N N 0.194 118.713 118.700 -0.302 0.000 2.422 235 N HA 0.279 5.018 4.740 -0.002 0.000 0.181 235 N C 0.399 175.632 175.510 -0.461 0.000 1.080 235 N CA 0.280 53.118 53.050 -0.352 0.000 0.893 235 N CB -0.244 37.995 38.487 -0.415 0.000 0.973 235 N HN 0.586 nan 8.380 nan 0.000 0.456 236 I N 1.668 121.972 120.570 -0.445 0.000 2.337 236 I HA 0.043 4.212 4.170 -0.002 0.000 0.291 236 I C 0.314 176.386 176.117 -0.074 0.000 1.046 236 I CA -0.524 60.621 61.300 -0.259 0.000 1.324 236 I CB 0.580 38.474 38.000 -0.177 0.000 1.409 236 I HN -0.083 nan 8.210 nan 0.000 0.494 237 E N 5.218 125.423 120.200 0.007 0.000 2.452 237 E HA -0.101 4.248 4.350 -0.002 0.000 0.261 237 E C -0.698 175.936 176.600 0.058 0.000 0.987 237 E CA 0.272 56.701 56.400 0.048 0.000 0.926 237 E CB 0.513 30.251 29.700 0.064 0.000 0.934 237 E HN 0.325 nan 8.360 nan 0.000 0.452 238 Y N 1.937 122.232 120.300 -0.009 0.000 2.425 238 Y HA -0.044 4.506 4.550 0.000 0.000 0.331 238 Y C 0.498 176.398 175.900 -0.001 0.000 1.157 238 Y CA 0.335 58.433 58.100 -0.004 0.000 1.372 238 Y CB 0.659 39.119 38.460 -0.000 0.000 1.253 238 Y HN 0.269 nan 8.280 nan 0.000 0.536 239 D N 4.874 125.097 120.400 -0.296 0.000 2.479 239 D HA 0.137 4.776 4.640 -0.002 0.000 0.247 239 D C 0.336 176.571 176.300 -0.110 0.000 1.119 239 D CA -0.229 53.685 54.000 -0.143 0.000 0.922 239 D CB 0.660 41.353 40.800 -0.178 0.000 1.014 239 D HN 0.661 nan 8.370 nan 0.000 0.510 240 E N 1.514 121.793 120.200 0.132 0.000 2.160 240 E HA -0.131 4.218 4.350 -0.002 0.000 0.195 240 E C 1.795 178.423 176.600 0.048 0.000 0.991 240 E CA 1.154 57.668 56.400 0.190 0.000 0.810 240 E CB 0.190 29.995 29.700 0.176 0.000 0.742 240 E HN 0.430 nan 8.360 nan 0.000 0.466 241 R N -0.320 120.179 120.500 -0.002 0.000 2.075 241 R HA -0.030 4.309 4.340 -0.002 0.000 0.232 241 R C 2.244 178.486 176.300 -0.096 0.000 1.126 241 R CA 1.648 57.730 56.100 -0.031 0.000 0.963 241 R CB -0.493 29.792 30.300 -0.026 0.000 0.858 241 R HN 0.135 nan 8.270 nan 0.000 0.435 242 T N 1.069 115.525 114.554 -0.165 0.000 2.821 242 T HA -0.060 4.289 4.350 -0.002 0.000 0.267 242 T C 1.973 176.399 174.700 -0.457 0.000 1.046 242 T CA 1.200 63.101 62.100 -0.332 0.000 1.139 242 T CB -0.164 68.495 68.868 -0.348 0.000 0.871 242 T HN 0.356 nan 8.240 nan 0.000 0.454 243 A N 2.164 124.827 122.820 -0.262 0.000 1.865 243 A HA -0.172 4.147 4.320 -0.002 0.000 0.217 243 A C 2.254 179.816 177.584 -0.037 0.000 1.191 243 A CA 1.676 53.644 52.037 -0.115 0.000 0.623 243 A CB -0.496 18.536 19.000 0.053 0.000 0.826 243 A HN 0.442 nan 8.150 nan 0.000 0.444 244 K N -0.706 119.685 120.400 -0.015 0.000 2.074 244 K HA -0.173 4.146 4.320 -0.002 0.000 0.209 244 K C 2.341 178.940 176.600 -0.001 0.000 1.048 244 K CA 1.611 57.905 56.287 0.011 0.000 0.926 244 K CB -0.238 32.271 32.500 0.015 0.000 0.713 244 K HN 0.402 nan 8.250 nan 0.000 0.444 245 R N -0.036 120.433 120.500 -0.052 0.000 2.073 245 R HA -0.115 4.224 4.340 -0.002 0.000 0.234 245 R C 2.185 178.515 176.300 0.049 0.000 1.134 245 R CA 1.530 57.613 56.100 -0.028 0.000 0.952 245 R CB -0.483 29.772 30.300 -0.075 0.000 0.850 245 R HN 0.504 nan 8.270 nan 0.000 0.433 246 H N -0.348 118.707 119.070 -0.024 0.000 2.352 246 H HA -0.098 4.456 4.556 -0.003 0.000 0.299 246 H C 2.212 177.509 175.328 -0.052 0.000 1.097 246 H CA 1.201 57.221 56.048 -0.047 0.000 1.311 246 H CB 0.133 29.856 29.762 -0.065 0.000 1.377 246 H HN -0.032 nan 8.280 nan 0.000 0.504 247 V N 1.357 121.329 119.914 0.097 0.000 2.407 247 V HA -0.225 3.894 4.120 -0.002 0.000 0.248 247 V C 2.138 178.268 176.094 0.059 0.000 1.055 247 V CA 1.494 63.828 62.300 0.056 0.000 1.049 247 V CB -0.229 31.636 31.823 0.069 0.000 0.662 247 V HN 0.381 nan 8.190 nan 0.000 0.455 248 K N 0.515 120.949 120.400 0.057 0.000 2.097 248 K HA -0.089 4.230 4.320 -0.002 0.000 0.205 248 K C 2.175 178.807 176.600 0.053 0.000 1.050 248 K CA 1.317 57.636 56.287 0.053 0.000 0.938 248 K CB -0.374 32.151 32.500 0.041 0.000 0.718 248 K HN 0.467 nan 8.250 nan 0.000 0.442 249 R N 0.717 121.248 120.500 0.052 0.000 2.140 249 R HA 0.050 4.389 4.340 -0.002 0.000 0.213 249 R C 2.389 178.710 176.300 0.036 0.000 1.059 249 R CA 0.553 56.679 56.100 0.044 0.000 1.000 249 R CB -0.151 30.177 30.300 0.046 0.000 0.910 249 R HN 0.253 nan 8.270 nan 0.000 0.455 250 R N 1.010 121.520 120.500 0.016 0.000 2.096 250 R HA -0.096 4.243 4.340 -0.002 0.000 0.235 250 R C 0.756 177.124 176.300 0.115 0.000 1.127 250 R CA 1.822 57.914 56.100 -0.012 0.000 0.968 250 R CB -0.396 29.780 30.300 -0.207 0.000 0.861 250 R HN 0.022 nan 8.270 nan 0.000 0.440 251 D N 0.771 121.270 120.400 0.165 0.000 2.123 251 D HA -0.104 4.535 4.640 -0.002 0.000 0.196 251 D C 2.114 178.497 176.300 0.138 0.000 0.992 251 D CA 1.290 55.411 54.000 0.202 0.000 0.833 251 D CB -0.128 40.766 40.800 0.157 0.000 0.954 251 D HN 0.316 nan 8.370 nan 0.000 0.455 252 R N -0.053 120.503 120.500 0.094 0.000 2.073 252 R HA 0.034 4.373 4.340 -0.002 0.000 0.229 252 R C 2.544 178.885 176.300 0.068 0.000 1.120 252 R CA 0.437 56.580 56.100 0.072 0.000 0.967 252 R CB -0.401 29.929 30.300 0.050 0.000 0.862 252 R HN 0.223 nan 8.270 nan 0.000 0.436 253 L N 0.686 121.941 121.223 0.053 0.000 2.043 253 L HA -0.239 4.100 4.340 -0.002 0.000 0.212 253 L C 2.470 179.363 176.870 0.038 0.000 1.075 253 L CA 0.925 55.779 54.840 0.022 0.000 0.752 253 L CB -0.469 41.583 42.059 -0.011 0.000 0.891 253 L HN 0.195 nan 8.230 nan 0.000 0.432 254 L N -0.316 120.977 121.223 0.116 0.000 2.017 254 L HA -0.195 4.144 4.340 -0.002 0.000 0.208 254 L C 2.600 179.646 176.870 0.294 0.000 1.073 254 L CA 1.780 56.750 54.840 0.216 0.000 0.745 254 L CB -0.609 41.647 42.059 0.328 0.000 0.894 254 L HN 0.173 nan 8.230 nan 0.000 0.432 255 E N -0.221 120.110 120.200 0.218 0.000 2.085 255 E HA -0.247 4.102 4.350 -0.002 0.000 0.194 255 E C 2.104 178.822 176.600 0.197 0.000 0.994 255 E CA 1.171 57.694 56.400 0.205 0.000 0.801 255 E CB -0.396 29.372 29.700 0.114 0.000 0.743 255 E HN 0.555 nan 8.360 nan 0.000 0.453 256 E N 1.084 121.356 120.200 0.119 0.000 2.077 256 E HA -0.139 4.210 4.350 -0.002 0.000 0.193 256 E C 2.339 178.992 176.600 0.088 0.000 0.989 256 E CA 0.547 56.997 56.400 0.083 0.000 0.800 256 E CB -0.196 29.524 29.700 0.033 0.000 0.746 256 E HN 0.253 nan 8.360 nan 0.000 0.452 257 L N -0.375 120.852 121.223 0.007 0.000 2.042 257 L HA -0.228 4.111 4.340 -0.002 0.000 0.210 257 L C 2.602 179.492 176.870 0.033 0.000 1.076 257 L CA 1.524 56.261 54.840 -0.172 0.000 0.749 257 L CB -0.682 40.907 42.059 -0.782 0.000 0.893 257 L HN 0.183 nan 8.230 nan 0.000 0.432 258 Y N 0.371 120.796 120.300 0.209 0.000 2.181 258 Y HA -0.251 4.298 4.550 -0.001 0.000 0.288 258 Y C 2.678 178.677 175.900 0.164 0.000 1.146 258 Y CA 1.489 59.737 58.100 0.248 0.000 1.164 258 Y CB -0.128 38.451 38.460 0.198 0.000 0.982 258 Y HN 0.204 nan 8.280 nan 0.000 0.515 259 E N -1.197 119.170 120.200 0.278 0.000 2.077 259 E HA -0.271 4.078 4.350 -0.002 0.000 0.193 259 E C 1.930 178.648 176.600 0.197 0.000 0.989 259 E CA 1.245 57.760 56.400 0.192 0.000 0.800 259 E CB -0.332 29.447 29.700 0.132 0.000 0.746 259 E HN 0.665 nan 8.360 nan 0.000 0.452 260 H N 0.231 119.337 119.070 0.060 0.000 2.357 260 H HA -0.120 4.436 4.556 -0.000 0.000 0.301 260 H C 2.346 177.702 175.328 0.047 0.000 1.082 260 H CA 0.708 56.775 56.048 0.030 0.000 1.342 260 H CB 0.202 29.959 29.762 -0.009 0.000 1.389 260 H HN 0.074 nan 8.280 nan 0.000 0.511 261 L N 1.547 122.830 121.223 0.101 0.000 2.046 261 L HA -0.170 4.169 4.340 -0.002 0.000 0.208 261 L C 2.371 179.289 176.870 0.080 0.000 1.077 261 L CA 2.089 56.954 54.840 0.041 0.000 0.747 261 L CB -0.830 41.275 42.059 0.075 0.000 0.896 261 L HN 0.382 nan 8.230 nan 0.000 0.432 262 E N -0.655 119.619 120.200 0.125 0.000 2.038 262 E HA -0.334 4.015 4.350 -0.002 0.000 0.195 262 E C 2.105 178.750 176.600 0.075 0.000 1.000 262 E CA 1.620 58.081 56.400 0.101 0.000 0.803 262 E CB -0.146 29.627 29.700 0.122 0.000 0.750 262 E HN 0.615 nan 8.360 nan 0.000 0.448 263 E N 0.545 120.806 120.200 0.101 0.000 2.110 263 E HA -0.175 4.174 4.350 -0.002 0.000 0.193 263 E C 2.147 178.787 176.600 0.068 0.000 0.988 263 E CA 1.091 57.540 56.400 0.081 0.000 0.804 263 E CB -0.331 29.428 29.700 0.099 0.000 0.745 263 E HN 0.410 nan 8.360 nan 0.000 0.458 264 L N 0.306 121.592 121.223 0.105 0.000 2.093 264 L HA -0.145 4.194 4.340 -0.002 0.000 0.208 264 L C 2.271 179.175 176.870 0.058 0.000 1.085 264 L CA 1.785 56.670 54.840 0.076 0.000 0.755 264 L CB -0.467 41.621 42.059 0.049 0.000 0.904 264 L HN 0.327 nan 8.230 nan 0.000 0.435 265 S N -1.258 114.482 115.700 0.066 0.000 2.447 265 S HA -0.185 4.284 4.470 -0.002 0.000 0.233 265 S C 1.597 176.201 174.600 0.006 0.000 1.006 265 S CA 1.068 59.316 58.200 0.080 0.000 0.957 265 S CB -0.526 62.681 63.200 0.012 0.000 0.773 265 S HN 0.589 nan 8.310 nan 0.000 0.507 266 E N 1.170 121.347 120.200 -0.038 0.000 2.338 266 E HA -0.055 4.294 4.350 -0.002 0.000 0.197 266 E C 2.049 178.560 176.600 -0.149 0.000 1.007 266 E CA 0.623 56.979 56.400 -0.074 0.000 0.849 266 E CB -0.114 29.556 29.700 -0.049 0.000 0.774 266 E HN 0.639 nan 8.360 nan 0.000 0.506 267 R N -0.698 119.636 120.500 -0.277 0.000 2.276 267 R HA -0.027 4.312 4.340 -0.002 0.000 0.203 267 R C 0.821 176.732 176.300 -0.650 0.000 1.017 267 R CA 0.815 56.599 56.100 -0.526 0.000 1.010 267 R CB 0.192 30.013 30.300 -0.797 0.000 0.900 267 R HN 0.310 nan 8.270 nan 0.000 0.469 268 Y N -1.082 119.174 120.300 -0.074 0.000 2.441 268 Y HA 0.311 4.859 4.550 -0.003 0.000 0.266 268 Y C 0.550 176.382 175.900 -0.114 0.000 1.093 268 Y CA -0.539 57.508 58.100 -0.090 0.000 1.246 268 Y CB 0.982 39.385 38.460 -0.096 0.000 1.262 268 Y HN -0.178 nan 8.280 nan 0.000 0.518 269 L N -0.054 121.170 121.223 0.001 0.000 2.341 269 L HA 0.474 4.813 4.340 -0.002 0.000 0.267 269 L C 0.802 177.590 176.870 -0.136 0.000 1.009 269 L CA -0.873 53.912 54.840 -0.090 0.000 0.819 269 L CB 2.307 44.282 42.059 -0.140 0.000 1.323 269 L HN -0.020 nan 8.230 nan 0.000 0.425 270 R N -0.398 119.970 120.500 -0.219 0.000 2.062 270 R HA -0.010 4.329 4.340 -0.002 0.000 0.231 270 R C -0.016 176.142 176.300 -0.238 0.000 1.136 270 R CA 0.873 56.803 56.100 -0.284 0.000 0.948 270 R CB -0.034 29.979 30.300 -0.478 0.000 0.845 270 R HN 0.469 nan 8.270 nan 0.000 0.430 271 H N 1.111 120.117 119.070 -0.106 0.000 2.640 271 H HA 0.285 4.840 4.556 -0.002 0.000 0.297 271 H C -2.210 172.953 175.328 -0.275 0.000 1.073 271 H CA -3.344 52.617 56.048 -0.146 0.000 1.305 271 H CB 0.466 30.158 29.762 -0.117 0.000 1.404 271 H HN -0.001 nan 8.280 nan 0.000 0.459 272 P HA -0.018 nan 4.420 nan 0.000 0.266 272 P C 0.363 177.541 177.300 -0.203 0.000 1.195 272 P CA -0.135 62.904 63.100 -0.101 0.000 0.768 272 P CB 0.880 32.573 31.700 -0.012 0.000 0.838 273 L N 2.932 124.044 121.223 -0.185 0.000 2.415 273 L HA 0.094 4.433 4.340 -0.002 0.000 0.269 273 L C 1.076 177.992 176.870 0.076 0.000 1.244 273 L CA -0.153 54.600 54.840 -0.145 0.000 1.113 273 L CB -1.002 41.008 42.059 -0.083 0.000 1.352 273 L HN 0.486 nan 8.230 nan 0.000 0.433 274 T N -2.294 112.351 114.554 0.151 0.000 2.849 274 T HA 0.167 4.516 4.350 -0.002 0.000 0.284 274 T C 1.129 175.982 174.700 0.255 0.000 1.004 274 T CA -0.813 61.406 62.100 0.200 0.000 1.021 274 T CB 1.809 70.781 68.868 0.173 0.000 1.013 274 T HN 0.416 nan 8.240 nan 0.000 0.527 275 R N 0.941 121.556 120.500 0.190 0.000 2.103 275 R HA -0.130 4.209 4.340 -0.002 0.000 0.242 275 R C 2.512 178.850 176.300 0.064 0.000 1.142 275 R CA 2.057 58.191 56.100 0.056 0.000 0.960 275 R CB -0.822 29.332 30.300 -0.244 0.000 0.858 275 R HN 0.832 nan 8.270 nan 0.000 0.439 276 R N -1.190 119.356 120.500 0.077 0.000 2.083 276 R HA -0.204 4.135 4.340 -0.002 0.000 0.237 276 R C 2.134 178.513 176.300 0.133 0.000 1.137 276 R CA 2.017 58.158 56.100 0.069 0.000 0.951 276 R CB -0.767 29.573 30.300 0.065 0.000 0.851 276 R HN 0.466 nan 8.270 nan 0.000 0.434 277 W N 1.086 122.424 121.300 0.063 0.000 2.355 277 W HA -0.144 4.516 4.660 -0.001 0.000 0.309 277 W C 1.819 178.427 176.519 0.148 0.000 1.206 277 W CA 1.675 59.109 57.345 0.149 0.000 1.284 277 W CB -0.191 29.331 29.460 0.103 0.000 1.145 277 W HN 0.059 nan 8.180 nan 0.000 0.502 278 I N -0.412 120.428 120.570 0.450 0.000 2.163 278 I HA -0.363 3.806 4.170 -0.002 0.000 0.243 278 I C 2.131 178.257 176.117 0.015 0.000 1.085 278 I CA 1.498 62.952 61.300 0.256 0.000 1.347 278 I CB -1.094 37.043 38.000 0.228 0.000 1.044 278 I HN -0.159 nan 8.210 nan 0.000 0.408 279 V N 0.742 120.647 119.914 -0.015 0.000 2.307 279 V HA -0.299 3.820 4.120 -0.002 0.000 0.245 279 V C 2.507 178.497 176.094 -0.173 0.000 1.045 279 V CA 2.235 64.480 62.300 -0.093 0.000 1.024 279 V CB -0.655 31.115 31.823 -0.088 0.000 0.651 279 V HN 0.511 nan 8.190 nan 0.000 0.449 280 E N -0.119 119.943 120.200 -0.229 0.000 2.110 280 E HA -0.248 4.101 4.350 -0.002 0.000 0.193 280 E C 1.408 177.624 176.600 -0.640 0.000 0.988 280 E CA 1.616 57.763 56.400 -0.422 0.000 0.804 280 E CB -0.065 29.334 29.700 -0.501 0.000 0.745 280 E HN 0.824 nan 8.360 nan 0.000 0.458 281 H N -0.822 117.916 119.070 -0.553 0.000 2.488 281 H HA 0.205 4.760 4.556 -0.002 0.000 0.294 281 H C 1.044 176.130 175.328 -0.402 0.000 1.088 281 H CA -0.099 55.571 56.048 -0.631 0.000 1.086 281 H CB 0.542 29.518 29.762 -1.309 0.000 1.569 281 H HN 0.050 nan 8.280 nan 0.000 0.548 282 K N 0.951 121.224 120.400 -0.211 0.000 2.103 282 K HA -0.145 4.174 4.320 -0.002 0.000 0.207 282 K C 1.765 178.296 176.600 -0.114 0.000 1.048 282 K CA 1.030 57.225 56.287 -0.153 0.000 0.930 282 K CB 0.245 32.667 32.500 -0.131 0.000 0.716 282 K HN 0.181 nan 8.250 nan 0.000 0.444 283 R N 0.888 121.325 120.500 -0.105 0.000 2.073 283 R HA -0.114 4.225 4.340 -0.002 0.000 0.234 283 R C 1.770 178.055 176.300 -0.026 0.000 1.134 283 R CA 1.571 57.638 56.100 -0.054 0.000 0.952 283 R CB -0.616 29.649 30.300 -0.057 0.000 0.850 283 R HN 0.364 nan 8.270 nan 0.000 0.433 284 D N 0.623 120.998 120.400 -0.043 0.000 2.144 284 D HA -0.084 4.555 4.640 -0.002 0.000 0.199 284 D C 2.034 178.348 176.300 0.023 0.000 0.984 284 D CA 0.841 54.850 54.000 0.014 0.000 0.834 284 D CB -0.193 40.629 40.800 0.036 0.000 0.955 284 D HN 0.209 nan 8.370 nan 0.000 0.465 285 I N 0.327 120.834 120.570 -0.105 0.000 2.179 285 I HA -0.240 3.929 4.170 -0.002 0.000 0.242 285 I C 2.476 178.628 176.117 0.057 0.000 1.088 285 I CA 0.857 62.072 61.300 -0.141 0.000 1.357 285 I CB -0.160 37.654 38.000 -0.309 0.000 1.051 285 I HN -0.047 nan 8.210 nan 0.000 0.409 286 M N -0.311 119.311 119.600 0.036 0.000 2.159 286 M HA -0.203 4.276 4.480 -0.002 0.000 0.263 286 M C 2.489 178.895 176.300 0.176 0.000 1.063 286 M CA 1.515 56.890 55.300 0.125 0.000 1.110 286 M CB -0.404 32.245 32.600 0.083 0.000 1.374 286 M HN 0.152 nan 8.290 nan 0.000 0.411 287 R N 0.629 121.201 120.500 0.120 0.000 2.070 287 R HA -0.147 4.192 4.340 -0.002 0.000 0.233 287 R C 2.201 178.578 176.300 0.128 0.000 1.137 287 R CA 1.691 57.856 56.100 0.109 0.000 0.945 287 R CB -0.065 30.285 30.300 0.083 0.000 0.845 287 R HN 0.327 nan 8.270 nan 0.000 0.430 288 R N -0.827 119.777 120.500 0.175 0.000 2.081 288 R HA -0.193 4.146 4.340 -0.002 0.000 0.235 288 R C 2.328 178.733 176.300 0.175 0.000 1.131 288 R CA 1.681 57.891 56.100 0.184 0.000 0.960 288 R CB -0.705 29.765 30.300 0.284 0.000 0.856 288 R HN 0.349 nan 8.270 nan 0.000 0.436 289 Y N 1.680 122.045 120.300 0.109 0.000 2.207 289 Y HA -0.215 4.334 4.550 -0.002 0.000 0.287 289 Y C 2.020 177.962 175.900 0.071 0.000 1.156 289 Y CA 1.270 59.419 58.100 0.081 0.000 1.182 289 Y CB -0.180 38.321 38.460 0.068 0.000 0.979 289 Y HN 0.001 nan 8.280 nan 0.000 0.521 290 L N 0.384 121.595 121.223 -0.021 0.000 2.095 290 L HA -0.065 4.274 4.340 -0.002 0.000 0.204 290 L C 2.137 178.954 176.870 -0.089 0.000 1.080 290 L CA 1.756 56.538 54.840 -0.097 0.000 0.759 290 L CB -0.822 41.268 42.059 0.051 0.000 0.914 290 L HN 0.100 nan 8.230 nan 0.000 0.439 291 E N -0.407 119.779 120.200 -0.025 0.000 2.153 291 E HA -0.267 4.082 4.350 -0.002 0.000 0.194 291 E C 2.077 178.651 176.600 -0.043 0.000 0.988 291 E CA 1.047 57.437 56.400 -0.016 0.000 0.811 291 E CB -0.041 29.667 29.700 0.014 0.000 0.746 291 E HN 0.540 nan 8.360 nan 0.000 0.466 292 Q N 1.047 120.803 119.800 -0.074 0.000 2.083 292 Q HA -0.051 4.288 4.340 -0.002 0.000 0.198 292 Q C 1.993 177.924 176.000 -0.114 0.000 0.969 292 Q CA 1.368 57.121 55.803 -0.084 0.000 0.838 292 Q CB -0.048 28.642 28.738 -0.080 0.000 0.900 292 Q HN 0.124 nan 8.270 nan 0.000 0.436 293 R N -0.350 120.029 120.500 -0.202 0.000 2.096 293 R HA -0.086 4.254 4.340 -0.002 0.000 0.235 293 R C 2.341 178.597 176.300 -0.073 0.000 1.127 293 R CA 1.517 57.513 56.100 -0.172 0.000 0.968 293 R CB -0.454 29.686 30.300 -0.267 0.000 0.861 293 R HN 0.335 nan 8.270 nan 0.000 0.440 294 I N 0.139 120.676 120.570 -0.055 0.000 2.179 294 I HA -0.278 3.891 4.170 -0.002 0.000 0.242 294 I C 2.310 178.424 176.117 -0.005 0.000 1.088 294 I CA 1.204 62.496 61.300 -0.013 0.000 1.357 294 I CB -0.277 37.720 38.000 -0.004 0.000 1.051 294 I HN -0.037 nan 8.210 nan 0.000 0.409 295 V N 0.760 120.665 119.914 -0.014 0.000 2.287 295 V HA -0.314 3.805 4.120 -0.002 0.000 0.248 295 V C 2.358 178.452 176.094 -0.001 0.000 1.053 295 V CA 2.105 64.402 62.300 -0.006 0.000 1.027 295 V CB -0.682 31.133 31.823 -0.013 0.000 0.646 295 V HN 0.454 nan 8.190 nan 0.000 0.447 296 E N -1.112 119.082 120.200 -0.011 0.000 2.072 296 E HA -0.246 4.103 4.350 -0.002 0.000 0.191 296 E C 2.286 178.898 176.600 0.019 0.000 0.985 296 E CA 1.567 57.967 56.400 -0.000 0.000 0.801 296 E CB -0.397 29.296 29.700 -0.012 0.000 0.750 296 E HN 0.680 nan 8.360 nan 0.000 0.452 297 C N 0.914 120.224 119.300 0.016 0.000 2.436 297 C HA -0.104 4.355 4.460 -0.002 0.000 0.277 297 C C 2.948 177.961 174.990 0.039 0.000 1.241 297 C CA 1.294 60.331 59.018 0.031 0.000 1.721 297 C CB -0.945 26.812 27.740 0.029 0.000 2.043 297 C HN 0.497 nan 8.230 nan 0.000 0.472 298 A N 0.238 123.078 122.820 0.034 0.000 1.908 298 A HA -0.078 4.241 4.320 -0.002 0.000 0.218 298 A C 2.241 179.853 177.584 0.047 0.000 1.181 298 A CA 1.895 53.956 52.037 0.039 0.000 0.627 298 A CB -0.758 18.261 19.000 0.032 0.000 0.818 298 A HN 0.702 nan 8.150 nan 0.000 0.445 299 L N -0.743 120.504 121.223 0.040 0.000 2.046 299 L HA -0.210 4.130 4.340 -0.002 0.000 0.208 299 L C 2.664 179.573 176.870 0.065 0.000 1.077 299 L CA 1.957 56.822 54.840 0.042 0.000 0.747 299 L CB -0.399 41.677 42.059 0.028 0.000 0.896 299 L HN 0.509 nan 8.230 nan 0.000 0.432 300 K N 0.686 121.135 120.400 0.082 0.000 2.026 300 K HA -0.187 4.132 4.320 -0.002 0.000 0.208 300 K C 2.147 178.881 176.600 0.222 0.000 1.048 300 K CA 1.324 57.692 56.287 0.135 0.000 0.929 300 K CB -0.096 32.493 32.500 0.148 0.000 0.713 300 K HN 0.219 nan 8.250 nan 0.000 0.439 301 L N 0.729 122.057 121.223 0.175 0.000 2.083 301 L HA -0.223 4.116 4.340 -0.002 0.000 0.209 301 L C 2.610 179.585 176.870 0.175 0.000 1.083 301 L CA 1.425 56.375 54.840 0.184 0.000 0.752 301 L CB -0.344 41.748 42.059 0.054 0.000 0.899 301 L HN 0.331 nan 8.230 nan 0.000 0.433 302 Q N -0.544 119.323 119.800 0.112 0.000 2.083 302 Q HA -0.152 4.187 4.340 -0.002 0.000 0.198 302 Q C 1.568 177.611 176.000 0.072 0.000 0.969 302 Q CA 1.307 57.158 55.803 0.081 0.000 0.838 302 Q CB 0.088 28.858 28.738 0.054 0.000 0.900 302 Q HN 0.439 nan 8.270 nan 0.000 0.436 303 D N -0.669 119.770 120.400 0.066 0.000 2.301 303 D HA -0.001 4.638 4.640 -0.002 0.000 0.206 303 D C 1.670 177.969 176.300 -0.001 0.000 0.979 303 D CA 0.594 54.613 54.000 0.031 0.000 0.874 303 D CB 0.320 41.134 40.800 0.024 0.000 0.968 303 D HN 0.044 nan 8.370 nan 0.000 0.510 304 R N -0.626 119.873 120.500 -0.001 0.000 2.250 304 R HA 0.137 4.476 4.340 -0.002 0.000 0.194 304 R C 0.903 177.002 176.300 -0.336 0.000 0.927 304 R CA 0.293 56.285 56.100 -0.180 0.000 1.052 304 R CB -0.110 30.041 30.300 -0.248 0.000 1.055 304 R HN 0.289 nan 8.270 nan 0.000 0.537 305 Y N -0.300 120.007 120.300 0.012 0.000 2.500 305 Y HA 0.308 4.857 4.550 -0.002 0.000 0.246 305 Y C 1.076 176.983 175.900 0.011 0.000 1.146 305 Y CA 0.150 58.256 58.100 0.011 0.000 1.230 305 Y CB 0.787 39.254 38.460 0.012 0.000 1.214 305 Y HN 0.217 nan 8.280 nan 0.000 0.526 306 G N 1.805 110.675 108.800 0.118 0.000 2.295 306 G HA2 -0.299 3.660 3.960 -0.002 0.000 0.287 306 G HA3 -0.299 3.660 3.960 -0.002 0.000 0.287 306 G C -0.196 174.754 174.900 0.083 0.000 1.055 306 G CA 0.154 45.300 45.100 0.076 0.000 0.922 306 G HN 0.354 nan 8.290 nan 0.000 0.503 307 I N -0.200 120.428 120.570 0.097 0.000 2.392 307 I HA 0.371 4.540 4.170 -0.002 0.000 0.295 307 I C 1.224 177.376 176.117 0.059 0.000 0.985 307 I CA -1.106 60.240 61.300 0.076 0.000 1.221 307 I CB 1.189 39.235 38.000 0.076 0.000 1.366 307 I HN 0.090 nan 8.210 nan 0.000 0.467 308 R N 3.490 124.020 120.500 0.050 0.000 2.698 308 R HA -0.056 4.283 4.340 -0.002 0.000 0.266 308 R C 1.266 177.590 176.300 0.040 0.000 1.026 308 R CA 0.116 56.240 56.100 0.041 0.000 1.102 308 R CB 0.519 30.841 30.300 0.037 0.000 0.978 308 R HN 0.653 nan 8.270 nan 0.000 0.436 309 E N 1.669 121.890 120.200 0.034 0.000 2.038 309 E HA -0.278 4.071 4.350 -0.002 0.000 0.195 309 E C 1.110 177.730 176.600 0.032 0.000 1.000 309 E CA 2.048 58.468 56.400 0.032 0.000 0.803 309 E CB 0.091 29.807 29.700 0.026 0.000 0.750 309 E HN 0.718 nan 8.360 nan 0.000 0.448 310 D N 0.106 120.523 120.400 0.030 0.000 2.144 310 D HA -0.154 4.485 4.640 -0.002 0.000 0.199 310 D C 2.069 178.390 176.300 0.035 0.000 0.984 310 D CA 1.136 55.153 54.000 0.029 0.000 0.834 310 D CB -0.657 40.158 40.800 0.025 0.000 0.955 310 D HN 0.221 nan 8.370 nan 0.000 0.465 311 V N 1.298 121.236 119.914 0.040 0.000 2.343 311 V HA -0.198 3.921 4.120 -0.002 0.000 0.247 311 V C 2.846 178.972 176.094 0.053 0.000 1.051 311 V CA 1.874 64.203 62.300 0.048 0.000 1.036 311 V CB -1.038 30.817 31.823 0.052 0.000 0.654 311 V HN 0.407 nan 8.190 nan 0.000 0.451 312 A N -0.340 122.509 122.820 0.048 0.000 1.902 312 A HA -0.156 4.163 4.320 -0.002 0.000 0.217 312 A C 2.228 179.842 177.584 0.050 0.000 1.181 312 A CA 1.781 53.847 52.037 0.048 0.000 0.623 312 A CB -0.521 18.508 19.000 0.047 0.000 0.818 312 A HN 0.501 nan 8.150 nan 0.000 0.443 313 L N -1.048 120.201 121.223 0.043 0.000 2.093 313 L HA -0.209 4.130 4.340 -0.002 0.000 0.208 313 L C 2.827 179.724 176.870 0.044 0.000 1.085 313 L CA 1.281 56.144 54.840 0.038 0.000 0.755 313 L CB -0.596 41.480 42.059 0.028 0.000 0.904 313 L HN 0.679 nan 8.230 nan 0.000 0.435 314 C N 0.363 119.691 119.300 0.047 0.000 2.432 314 C HA -0.156 4.303 4.460 -0.002 0.000 0.277 314 C C 2.712 177.753 174.990 0.084 0.000 1.249 314 C CA 0.765 59.812 59.018 0.049 0.000 1.725 314 C CB -0.757 27.011 27.740 0.047 0.000 2.028 314 C HN 0.427 nan 8.230 nan 0.000 0.477 315 L N 1.229 122.527 121.223 0.125 0.000 2.093 315 L HA -0.013 4.327 4.340 -0.002 0.000 0.208 315 L C 3.052 180.068 176.870 0.243 0.000 1.085 315 L CA 1.485 56.469 54.840 0.240 0.000 0.755 315 L CB -0.819 41.337 42.059 0.163 0.000 0.904 315 L HN 0.427 nan 8.230 nan 0.000 0.435 316 A N 0.197 123.094 122.820 0.129 0.000 1.902 316 A HA -0.194 4.125 4.320 -0.002 0.000 0.217 316 A C 2.444 180.081 177.584 0.088 0.000 1.181 316 A CA 1.471 53.568 52.037 0.101 0.000 0.623 316 A CB -0.419 18.615 19.000 0.057 0.000 0.818 316 A HN 0.311 nan 8.150 nan 0.000 0.443 317 R N -0.815 119.719 120.500 0.057 0.000 2.073 317 R HA -0.003 4.336 4.340 -0.002 0.000 0.229 317 R C 2.439 178.724 176.300 -0.025 0.000 1.120 317 R CA 1.154 57.264 56.100 0.017 0.000 0.967 317 R CB -0.478 29.825 30.300 0.004 0.000 0.862 317 R HN 0.495 nan 8.270 nan 0.000 0.436 318 A N 0.183 122.963 122.820 -0.067 0.000 2.067 318 A HA -0.061 4.258 4.320 -0.002 0.000 0.219 318 A C 0.969 178.239 177.584 -0.523 0.000 1.158 318 A CA 0.992 52.841 52.037 -0.312 0.000 0.661 318 A CB -0.100 18.652 19.000 -0.412 0.000 0.801 318 A HN 0.249 nan 8.150 nan 0.000 0.452 319 F N -0.987 118.975 119.950 0.020 0.000 2.850 319 F HA 0.261 4.787 4.527 -0.002 0.000 0.329 319 F C 0.386 176.208 175.800 0.036 0.000 1.182 319 F CA -0.202 57.815 58.000 0.028 0.000 1.270 319 F CB 0.473 39.486 39.000 0.021 0.000 0.979 319 F HN 0.173 nan 8.300 nan 0.000 0.506 320 D N 0.977 121.455 120.400 0.129 0.000 2.945 320 D HA -0.192 4.447 4.640 -0.002 0.000 0.225 320 D C 1.423 177.782 176.300 0.098 0.000 1.158 320 D CA 1.215 55.280 54.000 0.109 0.000 0.805 320 D CB -1.102 39.778 40.800 0.133 0.000 1.098 320 D HN 0.697 nan 8.370 nan 0.000 0.426 321 G N -0.507 108.348 108.800 0.093 0.000 2.233 321 G HA2 -0.306 3.653 3.960 -0.002 0.000 0.270 321 G HA3 -0.306 3.653 3.960 -0.002 0.000 0.270 321 G C 0.199 175.139 174.900 0.067 0.000 1.011 321 G CA 1.083 46.221 45.100 0.062 0.000 0.762 321 G HN 1.187 nan 8.290 nan 0.000 0.511 322 S N -0.075 115.685 115.700 0.100 0.000 2.420 322 S HA 0.573 5.042 4.470 -0.002 0.000 0.313 322 S C 1.811 176.433 174.600 0.036 0.000 1.079 322 S CA -0.821 57.428 58.200 0.081 0.000 1.104 322 S CB 0.214 63.482 63.200 0.113 0.000 0.969 322 S HN 0.199 nan 8.310 nan 0.000 0.471 323 I N 4.211 124.784 120.570 0.006 0.000 2.226 323 I HA -0.107 4.062 4.170 -0.002 0.000 0.245 323 I C 2.450 178.528 176.117 -0.065 0.000 1.100 323 I CA 1.174 62.438 61.300 -0.061 0.000 1.374 323 I CB -1.676 36.302 38.000 -0.037 0.000 1.057 323 I HN 0.563 nan 8.210 nan 0.000 0.413 324 S N 0.752 116.451 115.700 -0.001 0.000 2.370 324 S HA -0.242 4.227 4.470 -0.002 0.000 0.226 324 S C 1.964 176.564 174.600 -0.000 0.000 1.033 324 S CA 1.698 59.909 58.200 0.018 0.000 1.011 324 S CB -0.359 62.876 63.200 0.059 0.000 0.852 324 S HN 0.354 nan 8.310 nan 0.000 0.457 325 M N 1.546 121.151 119.600 0.009 0.000 2.086 325 M HA 0.042 4.521 4.480 -0.002 0.000 0.261 325 M C 1.713 177.891 176.300 -0.204 0.000 1.067 325 M CA 1.465 56.763 55.300 -0.002 0.000 1.116 325 M CB -0.566 32.103 32.600 0.115 0.000 1.348 325 M HN 0.257 nan 8.290 nan 0.000 0.407 326 I N -0.128 120.250 120.570 -0.319 0.000 2.226 326 I HA -0.267 3.902 4.170 -0.002 0.000 0.245 326 I C 2.283 178.201 176.117 -0.331 0.000 1.100 326 I CA 1.273 62.245 61.300 -0.547 0.000 1.374 326 I CB -0.766 36.996 38.000 -0.396 0.000 1.057 326 I HN 0.379 nan 8.210 nan 0.000 0.413 327 A N 0.245 122.941 122.820 -0.206 0.000 2.125 327 A HA -0.169 4.150 4.320 -0.002 0.000 0.219 327 A C 2.118 179.665 177.584 -0.061 0.000 1.156 327 A CA 2.034 53.994 52.037 -0.129 0.000 0.671 327 A CB -0.900 18.048 19.000 -0.086 0.000 0.794 327 A HN 0.549 nan 8.150 nan 0.000 0.459 328 T N -4.279 110.241 114.554 -0.058 0.000 3.092 328 T HA 0.236 4.585 4.350 -0.002 0.000 0.258 328 T C 0.363 175.059 174.700 -0.007 0.000 1.031 328 T CA 0.243 62.349 62.100 0.010 0.000 0.925 328 T CB -0.111 68.793 68.868 0.059 0.000 1.036 328 T HN 0.092 nan 8.240 nan 0.000 0.544 329 T N 4.626 119.127 114.554 -0.088 0.000 2.845 329 T HA 0.462 4.811 4.350 -0.002 0.000 0.288 329 T C -2.682 172.004 174.700 -0.023 0.000 0.980 329 T CA -1.229 60.824 62.100 -0.077 0.000 1.071 329 T CB 1.319 70.048 68.868 -0.231 0.000 0.941 329 T HN 0.073 nan 8.240 nan 0.000 0.487 330 P HA 0.017 nan 4.420 nan 0.000 0.267 330 P C 0.216 177.561 177.300 0.076 0.000 1.200 330 P CA -0.220 62.897 63.100 0.029 0.000 0.772 330 P CB 0.363 32.062 31.700 -0.002 0.000 0.855 331 Y N 5.470 125.756 120.300 -0.023 0.000 2.114 331 Y HA -0.299 4.250 4.550 -0.002 0.000 0.282 331 Y C 2.266 178.168 175.900 0.004 0.000 1.165 331 Y CA 1.974 60.067 58.100 -0.011 0.000 1.148 331 Y CB -0.552 37.904 38.460 -0.008 0.000 0.972 331 Y HN 0.326 nan 8.280 nan 0.000 0.504 332 R N -1.368 119.049 120.500 -0.139 0.000 2.127 332 R HA -0.134 4.205 4.340 -0.002 0.000 0.238 332 R C 1.794 178.009 176.300 -0.143 0.000 1.134 332 R CA 1.927 57.892 56.100 -0.223 0.000 0.975 332 R CB -1.288 28.953 30.300 -0.098 0.000 0.865 332 R HN 0.267 nan 8.270 nan 0.000 0.447 333 T N 1.884 116.408 114.554 -0.050 0.000 2.851 333 T HA 0.103 4.452 4.350 -0.002 0.000 0.262 333 T C 1.981 176.731 174.700 0.084 0.000 1.043 333 T CA 0.947 63.061 62.100 0.024 0.000 1.140 333 T CB -0.102 68.810 68.868 0.073 0.000 0.872 333 T HN 0.105 nan 8.240 nan 0.000 0.446 334 L N 0.807 122.077 121.223 0.078 0.000 2.042 334 L HA -0.126 4.213 4.340 -0.002 0.000 0.210 334 L C 2.603 179.494 176.870 0.035 0.000 1.076 334 L CA 1.307 56.219 54.840 0.120 0.000 0.749 334 L CB -0.462 41.638 42.059 0.069 0.000 0.893 334 L HN 0.169 nan 8.230 nan 0.000 0.432 335 K N 0.259 120.580 120.400 -0.132 0.000 2.211 335 K HA -0.204 4.115 4.320 -0.002 0.000 0.203 335 K C 1.602 178.138 176.600 -0.107 0.000 1.050 335 K CA 1.375 57.540 56.287 -0.202 0.000 0.945 335 K CB -0.126 32.054 32.500 -0.534 0.000 0.732 335 K HN 0.156 nan 8.250 nan 0.000 0.451 336 D N -0.963 119.391 120.400 -0.077 0.000 2.183 336 D HA -0.097 4.542 4.640 -0.002 0.000 0.203 336 D C 1.573 177.859 176.300 -0.025 0.000 0.969 336 D CA 1.312 55.282 54.000 -0.049 0.000 0.842 336 D CB 0.341 41.117 40.800 -0.040 0.000 0.957 336 D HN 0.115 nan 8.370 nan 0.000 0.484 337 V N -1.926 117.989 119.914 0.002 0.000 2.878 337 V HA 0.150 4.269 4.120 -0.002 0.000 0.250 337 V C 1.154 177.255 176.094 0.011 0.000 1.075 337 V CA 0.202 62.497 62.300 -0.009 0.000 1.096 337 V CB -0.221 31.577 31.823 -0.042 0.000 0.724 337 V HN 0.323 nan 8.190 nan 0.000 0.467 338 C N 2.410 121.730 119.300 0.035 0.000 2.814 338 C HA 0.657 5.116 4.460 -0.002 0.000 0.269 338 C C -1.375 173.626 174.990 0.018 0.000 1.090 338 C CA -1.227 57.813 59.018 0.037 0.000 1.492 338 C CB 0.414 28.197 27.740 0.072 0.000 1.825 338 C HN 0.339 nan 8.230 nan 0.000 0.442 339 P HA -0.071 nan 4.420 nan 0.000 0.221 339 P C 1.054 178.361 177.300 0.013 0.000 1.145 339 P CA 1.427 64.523 63.100 -0.007 0.000 0.795 339 P CB 0.163 31.859 31.700 -0.006 0.000 0.775 340 D N -1.224 119.192 120.400 0.027 0.000 2.347 340 D HA 0.006 4.645 4.640 -0.002 0.000 0.213 340 D C 0.764 177.101 176.300 0.060 0.000 0.985 340 D CA 0.007 54.031 54.000 0.039 0.000 0.879 340 D CB -0.197 40.624 40.800 0.034 0.000 0.919 340 D HN 0.084 nan 8.370 nan 0.000 0.526 341 L N 1.999 123.266 121.223 0.072 0.000 2.578 341 L HA -0.008 4.331 4.340 -0.002 0.000 0.279 341 L C 0.684 177.653 176.870 0.165 0.000 1.227 341 L CA 0.480 55.388 54.840 0.113 0.000 0.900 341 L CB 0.446 42.584 42.059 0.130 0.000 1.144 341 L HN -0.064 nan 8.230 nan 0.000 0.496 342 T N 2.220 116.859 114.554 0.140 0.000 2.927 342 T HA 0.302 4.651 4.350 -0.002 0.000 0.281 342 T C 0.918 175.675 174.700 0.094 0.000 0.998 342 T CA -0.382 61.794 62.100 0.128 0.000 1.019 342 T CB 1.037 69.943 68.868 0.063 0.000 1.061 342 T HN 0.661 nan 8.240 nan 0.000 0.518 343 L N 0.563 121.765 121.223 -0.034 0.000 2.093 343 L HA 0.052 4.391 4.340 -0.002 0.000 0.208 343 L C 2.425 179.176 176.870 -0.198 0.000 1.085 343 L CA 1.751 56.380 54.840 -0.352 0.000 0.755 343 L CB -1.080 40.756 42.059 -0.371 0.000 0.904 343 L HN 0.699 nan 8.230 nan 0.000 0.435 344 E N 0.176 120.327 120.200 -0.082 0.000 2.077 344 E HA -0.222 4.128 4.350 -0.002 0.000 0.193 344 E C 2.099 178.692 176.600 -0.012 0.000 0.989 344 E CA 1.415 57.790 56.400 -0.041 0.000 0.800 344 E CB -0.165 29.527 29.700 -0.013 0.000 0.746 344 E HN 0.659 nan 8.360 nan 0.000 0.452 345 E N 0.619 120.826 120.200 0.011 0.000 2.077 345 E HA -0.147 4.202 4.350 -0.002 0.000 0.193 345 E C 2.016 178.633 176.600 0.028 0.000 0.989 345 E CA 1.089 57.512 56.400 0.038 0.000 0.800 345 E CB -0.101 29.633 29.700 0.057 0.000 0.746 345 E HN 0.203 nan 8.360 nan 0.000 0.452 346 A N 1.523 124.352 122.820 0.014 0.000 1.930 346 A HA -0.195 4.124 4.320 -0.002 0.000 0.217 346 A C 1.924 179.493 177.584 -0.026 0.000 1.175 346 A CA 1.340 53.386 52.037 0.015 0.000 0.627 346 A CB -0.243 18.800 19.000 0.073 0.000 0.815 346 A HN 0.041 nan 8.150 nan 0.000 0.443 347 K N -0.298 120.066 120.400 -0.059 0.000 2.147 347 K HA -0.098 4.221 4.320 -0.002 0.000 0.205 347 K C 2.377 178.991 176.600 0.024 0.000 1.049 347 K CA 1.253 57.522 56.287 -0.030 0.000 0.936 347 K CB -0.168 32.303 32.500 -0.048 0.000 0.722 347 K HN 0.461 nan 8.250 nan 0.000 0.446 348 S N 0.553 116.281 115.700 0.047 0.000 2.355 348 S HA -0.105 4.364 4.470 -0.002 0.000 0.222 348 S C 1.950 176.666 174.600 0.194 0.000 1.031 348 S CA 1.190 59.464 58.200 0.124 0.000 0.993 348 S CB -0.099 63.187 63.200 0.143 0.000 0.859 348 S HN 0.192 nan 8.310 nan 0.000 0.453 349 V N 1.604 121.550 119.914 0.054 0.000 2.788 349 V HA 0.184 4.304 4.120 -0.002 0.000 0.251 349 V C 0.486 176.527 176.094 -0.089 0.000 1.068 349 V CA 1.029 63.236 62.300 -0.155 0.000 1.090 349 V CB -0.351 31.272 31.823 -0.334 0.000 0.710 349 V HN 0.527 nan 8.190 nan 0.000 0.467 350 N N 0.509 119.193 118.700 -0.027 0.000 2.609 350 N HA 0.183 4.922 4.740 -0.002 0.000 0.234 350 N C 0.848 176.380 175.510 0.037 0.000 1.001 350 N CA -0.237 52.812 53.050 -0.002 0.000 0.926 350 N CB 1.180 39.663 38.487 -0.008 0.000 1.130 350 N HN 0.132 nan 8.380 nan 0.000 0.510 351 R N 1.784 122.319 120.500 0.058 0.000 2.120 351 R HA 0.012 4.351 4.340 -0.002 0.000 0.234 351 R C 1.192 177.535 176.300 0.072 0.000 1.123 351 R CA 1.846 57.986 56.100 0.067 0.000 0.975 351 R CB -0.457 29.886 30.300 0.071 0.000 0.866 351 R HN 0.467 nan 8.270 nan 0.000 0.446 352 T N 1.031 115.637 114.554 0.086 0.000 2.746 352 T HA -0.134 4.215 4.350 -0.002 0.000 0.267 352 T C 1.557 176.324 174.700 0.111 0.000 1.039 352 T CA 1.313 63.489 62.100 0.127 0.000 1.142 352 T CB -0.312 68.672 68.868 0.192 0.000 0.866 352 T HN 0.175 nan 8.240 nan 0.000 0.444 353 L N 1.527 122.794 121.223 0.072 0.000 2.017 353 L HA 0.029 4.368 4.340 -0.002 0.000 0.208 353 L C 2.623 179.511 176.870 0.031 0.000 1.073 353 L CA 1.980 56.843 54.840 0.039 0.000 0.745 353 L CB -1.042 41.023 42.059 0.011 0.000 0.894 353 L HN 0.223 nan 8.230 nan 0.000 0.432 354 A N -1.097 121.742 122.820 0.031 0.000 1.883 354 A HA -0.252 4.067 4.320 -0.002 0.000 0.217 354 A C 2.383 179.998 177.584 0.050 0.000 1.186 354 A CA 2.630 54.683 52.037 0.027 0.000 0.624 354 A CB -1.425 17.593 19.000 0.031 0.000 0.822 354 A HN 0.642 nan 8.150 nan 0.000 0.444 355 T N -2.002 112.599 114.554 0.079 0.000 2.904 355 T HA 0.042 4.391 4.350 -0.002 0.000 0.267 355 T C 1.827 176.637 174.700 0.184 0.000 1.059 355 T CA 1.194 63.362 62.100 0.114 0.000 1.137 355 T CB -0.486 68.458 68.868 0.126 0.000 0.879 355 T HN 0.275 nan 8.240 nan 0.000 0.467 356 L N 0.071 121.391 121.223 0.161 0.000 2.083 356 L HA 0.068 4.407 4.340 -0.002 0.000 0.209 356 L C 2.718 179.669 176.870 0.136 0.000 1.083 356 L CA 1.230 56.165 54.840 0.158 0.000 0.752 356 L CB -0.480 41.624 42.059 0.075 0.000 0.899 356 L HN 0.277 nan 8.230 nan 0.000 0.433 357 I N -0.521 120.096 120.570 0.078 0.000 2.193 357 I HA -0.230 3.939 4.170 -0.002 0.000 0.240 357 I C 2.036 178.182 176.117 0.048 0.000 1.084 357 I CA 1.151 62.479 61.300 0.047 0.000 1.365 357 I CB -0.334 37.670 38.000 0.006 0.000 1.064 357 I HN 0.215 nan 8.210 nan 0.000 0.410 358 D N 0.652 121.077 120.400 0.042 0.000 2.123 358 D HA -0.123 4.516 4.640 -0.002 0.000 0.200 358 D C 2.105 178.412 176.300 0.010 0.000 0.976 358 D CA 1.257 55.270 54.000 0.022 0.000 0.831 358 D CB -0.074 40.735 40.800 0.015 0.000 0.974 358 D HN 0.401 nan 8.370 nan 0.000 0.469 359 E N -0.678 119.532 120.200 0.016 0.000 2.166 359 E HA 0.004 4.353 4.350 -0.002 0.000 0.192 359 E C 1.643 178.136 176.600 -0.178 0.000 0.967 359 E CA 0.392 56.743 56.400 -0.081 0.000 0.840 359 E CB 0.177 29.817 29.700 -0.099 0.000 0.795 359 E HN 0.408 nan 8.360 nan 0.000 0.470 360 H N -0.566 118.519 119.070 0.024 0.000 2.553 360 H HA 0.138 4.693 4.556 -0.002 0.000 0.265 360 H C 1.153 176.493 175.328 0.020 0.000 0.964 360 H CA 0.756 56.820 56.048 0.026 0.000 1.156 360 H CB 1.060 30.845 29.762 0.039 0.000 1.411 360 H HN 0.317 nan 8.280 nan 0.000 0.558 361 G N 1.649 110.510 108.800 0.102 0.000 2.179 361 G HA2 -0.284 3.675 3.960 -0.002 0.000 0.257 361 G HA3 -0.284 3.675 3.960 -0.002 0.000 0.257 361 G C 0.333 175.270 174.900 0.062 0.000 1.010 361 G CA 0.234 45.371 45.100 0.061 0.000 0.736 361 G HN 0.241 nan 8.290 nan 0.000 0.513 362 L N 0.973 122.243 121.223 0.079 0.000 2.464 362 L HA 0.442 4.781 4.340 -0.002 0.000 0.264 362 L C 1.608 178.497 176.870 0.032 0.000 1.199 362 L CA 0.042 54.913 54.840 0.053 0.000 0.818 362 L CB 0.780 42.867 42.059 0.046 0.000 1.102 362 L HN 0.464 nan 8.230 nan 0.000 0.473 363 S N 0.929 116.645 115.700 0.025 0.000 2.593 363 S HA 0.178 4.647 4.470 -0.002 0.000 0.269 363 S C -1.887 172.726 174.600 0.021 0.000 1.334 363 S CA -1.074 57.139 58.200 0.021 0.000 1.015 363 S CB 0.992 64.206 63.200 0.024 0.000 0.912 363 S HN 0.410 nan 8.310 nan 0.000 0.541 364 P HA -0.102 nan 4.420 nan 0.000 0.216 364 P C 0.983 178.323 177.300 0.066 0.000 1.150 364 P CA 1.413 64.537 63.100 0.039 0.000 0.837 364 P CB -0.052 31.689 31.700 0.069 0.000 0.786 365 D N -0.526 119.908 120.400 0.057 0.000 2.097 365 D HA -0.137 4.502 4.640 -0.002 0.000 0.195 365 D C 1.921 178.227 176.300 0.011 0.000 0.989 365 D CA 1.527 55.550 54.000 0.038 0.000 0.827 365 D CB -0.701 40.117 40.800 0.030 0.000 0.966 365 D HN -0.031 nan 8.370 nan 0.000 0.456 366 A N 0.557 123.382 122.820 0.009 0.000 1.902 366 A HA 0.013 4.332 4.320 -0.002 0.000 0.217 366 A C 2.398 179.967 177.584 -0.026 0.000 1.181 366 A CA 2.381 54.416 52.037 -0.004 0.000 0.623 366 A CB -1.135 17.868 19.000 0.006 0.000 0.818 366 A HN 0.330 nan 8.150 nan 0.000 0.443 367 A N -0.016 122.794 122.820 -0.016 0.000 1.908 367 A HA -0.209 4.111 4.320 -0.002 0.000 0.218 367 A C 1.799 179.341 177.584 -0.069 0.000 1.181 367 A CA 1.998 54.015 52.037 -0.034 0.000 0.627 367 A CB -0.663 18.337 19.000 -0.001 0.000 0.818 367 A HN 0.452 nan 8.150 nan 0.000 0.445 368 D N -0.720 119.661 120.400 -0.031 0.000 2.123 368 D HA -0.164 4.475 4.640 -0.002 0.000 0.196 368 D C 1.885 178.111 176.300 -0.122 0.000 0.992 368 D CA 1.475 55.447 54.000 -0.046 0.000 0.833 368 D CB -0.365 40.439 40.800 0.006 0.000 0.954 368 D HN 0.732 nan 8.370 nan 0.000 0.455 369 E N 0.143 120.274 120.200 -0.114 0.000 2.085 369 E HA -0.169 4.181 4.350 -0.002 0.000 0.194 369 E C 2.211 178.671 176.600 -0.235 0.000 0.994 369 E CA 0.748 57.051 56.400 -0.162 0.000 0.801 369 E CB -0.062 29.602 29.700 -0.061 0.000 0.743 369 E HN 0.243 nan 8.360 nan 0.000 0.453 370 L N 0.355 121.444 121.223 -0.223 0.000 2.044 370 L HA -0.135 4.204 4.340 -0.002 0.000 0.205 370 L C 2.584 178.909 176.870 -0.908 0.000 1.075 370 L CA 0.741 55.297 54.840 -0.474 0.000 0.747 370 L CB -0.371 41.368 42.059 -0.533 0.000 0.903 370 L HN 0.220 nan 8.230 nan 0.000 0.435 371 I N 0.068 120.290 120.570 -0.580 0.000 2.194 371 I HA -0.339 3.830 4.170 -0.002 0.000 0.246 371 I C 2.546 178.536 176.117 -0.212 0.000 1.093 371 I CA 1.479 62.575 61.300 -0.340 0.000 1.355 371 I CB -0.250 37.688 38.000 -0.103 0.000 1.046 371 I HN 0.320 nan 8.210 nan 0.000 0.413 372 E N 0.075 120.132 120.200 -0.238 0.000 2.077 372 E HA -0.250 4.099 4.350 -0.002 0.000 0.193 372 E C 2.079 178.574 176.600 -0.175 0.000 0.989 372 E CA 1.437 57.717 56.400 -0.200 0.000 0.800 372 E CB -0.027 29.516 29.700 -0.263 0.000 0.746 372 E HN 0.591 nan 8.360 nan 0.000 0.452 373 H N -1.014 117.975 119.070 -0.134 0.000 2.353 373 H HA -0.097 4.458 4.556 -0.002 0.000 0.300 373 H C 1.720 177.128 175.328 0.133 0.000 1.090 373 H CA 1.612 57.638 56.048 -0.037 0.000 1.327 373 H CB -0.115 29.602 29.762 -0.076 0.000 1.383 373 H HN 0.223 nan 8.280 nan 0.000 0.508 374 F N 1.076 121.109 119.950 0.138 0.000 2.333 374 F HA -0.138 4.388 4.527 -0.002 0.000 0.300 374 F C 2.095 177.949 175.800 0.090 0.000 1.083 374 F CA 0.272 58.330 58.000 0.097 0.000 1.395 374 F CB -0.052 38.990 39.000 0.071 0.000 1.056 374 F HN 0.293 nan 8.300 nan 0.000 0.529 375 E N 0.339 120.685 120.200 0.242 0.000 2.160 375 E HA -0.205 4.144 4.350 -0.002 0.000 0.195 375 E C 2.024 178.729 176.600 0.175 0.000 0.991 375 E CA 1.617 58.122 56.400 0.175 0.000 0.810 375 E CB -0.254 29.507 29.700 0.102 0.000 0.742 375 E HN 0.344 nan 8.360 nan 0.000 0.466 376 S N 0.060 115.863 115.700 0.172 0.000 2.631 376 S HA 0.128 4.597 4.470 -0.002 0.000 0.217 376 S C 0.645 175.342 174.600 0.162 0.000 0.958 376 S CA -0.164 58.129 58.200 0.154 0.000 0.920 376 S CB -0.097 63.179 63.200 0.125 0.000 0.776 376 S HN 0.049 nan 8.310 nan 0.000 0.517 377 I N 1.740 122.416 120.570 0.178 0.000 2.447 377 I HA 0.506 4.675 4.170 -0.002 0.000 0.287 377 I C -0.074 176.123 176.117 0.133 0.000 1.023 377 I CA -1.073 60.310 61.300 0.139 0.000 1.083 377 I CB 1.833 39.910 38.000 0.128 0.000 1.245 377 I HN 0.138 nan 8.210 nan 0.000 0.434 378 A N 4.316 127.213 122.820 0.129 0.000 2.404 378 A HA 0.588 4.907 4.320 -0.002 0.000 0.273 378 A C 1.061 178.700 177.584 0.092 0.000 1.144 378 A CA 0.702 52.830 52.037 0.152 0.000 0.806 378 A CB -0.059 19.055 19.000 0.190 0.000 1.080 378 A HN 1.253 nan 8.150 nan 0.000 0.509 379 G N 1.284 110.129 108.800 0.075 0.000 2.184 379 G HA2 -0.136 3.823 3.960 -0.002 0.000 0.206 379 G HA3 -0.136 3.823 3.960 -0.002 0.000 0.206 379 G C -0.006 174.864 174.900 -0.050 0.000 0.995 379 G CA 0.208 45.321 45.100 0.021 0.000 0.651 379 G HN 1.371 nan 8.290 nan 0.000 0.511 380 I N 0.000 120.523 120.570 -0.078 0.000 2.984 380 I HA 0.000 4.169 4.170 -0.002 0.000 0.288 380 I CA 0.000 61.157 61.300 -0.238 0.000 1.566 380 I CB 0.000 37.685 38.000 -0.524 0.000 1.214 380 I HN 0.000 nan 8.210 nan 0.000 0.494