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 2wh2_1_Z DATA FIRST_RESID 3 DATA SEQUENCE YRLKAYYREG EKPSALRRAG KLPGVMYNRH LNRKVYVDLV EFDKVFRQAS DATA SEQUENCE IHHVIVLELP DGQSLPTLVR QVNLDKRRRR PEHVDFFVLS DEPVEMYVPL DATA SEQUENCE RFVGTPAGVR AGGVLQEIHR DILVKVSPRN IPEFIEVDVS GLEIGDSLHA DATA SEQUENCE SDLKLPPGVE LAVSPEETIA AVVPPED VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 Y HA 0.000 nan 4.550 nan 0.000 0.201 3 Y C 0.000 175.887 175.900 -0.021 0.000 1.272 3 Y CA 0.000 58.093 58.100 -0.012 0.000 1.940 3 Y CB 0.000 38.446 38.460 -0.024 0.000 1.050 4 R N 0.960 121.555 120.500 0.158 0.000 2.803 4 R HA 0.855 5.195 4.340 -0.000 0.000 0.276 4 R C -1.976 174.352 176.300 0.047 0.000 0.978 4 R CA -1.163 54.971 56.100 0.057 0.000 0.939 4 R CB 2.840 33.156 30.300 0.027 0.000 1.179 4 R HN 0.597 nan 8.270 nan 0.000 0.472 5 L N 0.927 122.150 121.223 0.001 0.000 2.565 5 L HA 0.276 4.616 4.340 -0.000 0.000 0.261 5 L C -0.968 175.906 176.870 0.006 0.000 0.932 5 L CA -0.344 54.508 54.840 0.020 0.000 0.878 5 L CB 2.017 44.093 42.059 0.029 0.000 1.333 5 L HN 0.463 nan 8.230 nan 0.000 0.409 6 K N 3.834 124.271 120.400 0.063 0.000 2.307 6 K HA 0.488 4.808 4.320 -0.000 0.000 0.285 6 K C -0.132 176.548 176.600 0.134 0.000 1.073 6 K CA 0.150 56.484 56.287 0.080 0.000 0.996 6 K CB 0.399 33.027 32.500 0.213 0.000 0.994 6 K HN 0.652 nan 8.250 nan 0.000 0.452 7 A N 3.676 126.459 122.820 -0.062 0.000 2.264 7 A HA 0.652 4.972 4.320 -0.000 0.000 0.304 7 A C -0.999 176.419 177.584 -0.277 0.000 1.100 7 A CA -0.370 51.621 52.037 -0.078 0.000 0.839 7 A CB 0.454 19.339 19.000 -0.192 0.000 1.121 7 A HN 0.580 nan 8.150 nan 0.000 0.496 8 Y N -2.048 117.914 120.300 -0.563 0.000 2.715 8 Y HA 0.561 5.111 4.550 -0.000 0.000 0.331 8 Y C -1.222 174.345 175.900 -0.554 0.000 1.197 8 Y CA -0.765 56.958 58.100 -0.629 0.000 1.079 8 Y CB 1.201 38.885 38.460 -1.294 0.000 1.298 8 Y HN 0.587 nan 8.280 nan 0.000 0.477 9 Y N 0.435 120.811 120.300 0.127 0.000 2.377 9 Y HA 0.561 5.111 4.550 0.000 0.000 0.339 9 Y C 0.024 176.161 175.900 0.393 0.000 1.011 9 Y CA -1.004 57.233 58.100 0.230 0.000 1.093 9 Y CB 1.637 40.182 38.460 0.142 0.000 1.201 9 Y HN 0.211 nan 8.280 nan 0.000 0.455 10 R N 2.317 123.068 120.500 0.419 0.000 2.310 10 R HA 0.242 4.582 4.340 -0.000 0.000 0.324 10 R C -0.343 176.086 176.300 0.215 0.000 0.955 10 R CA -0.340 55.936 56.100 0.293 0.000 0.830 10 R CB 0.929 31.369 30.300 0.233 0.000 1.154 10 R HN 0.801 nan 8.270 nan 0.000 0.458 11 E N 1.965 122.262 120.200 0.162 0.000 2.170 11 E HA 0.147 4.497 4.350 -0.000 0.000 0.191 11 E C 0.526 177.174 176.600 0.079 0.000 0.981 11 E CA 0.817 57.287 56.400 0.117 0.000 0.830 11 E CB 0.564 30.319 29.700 0.091 0.000 0.775 11 E HN 0.829 nan 8.360 nan 0.000 0.470 12 G N 0.630 109.466 108.800 0.061 0.000 2.927 12 G HA2 0.028 3.988 3.960 -0.000 0.000 0.234 12 G HA3 0.028 3.988 3.960 -0.000 0.000 0.234 12 G C -1.179 173.728 174.900 0.012 0.000 3.444 12 G CA -0.852 44.269 45.100 0.034 0.000 0.715 12 G HN -0.076 nan 8.290 nan 0.000 0.422 13 E N 1.368 121.568 120.200 0.000 0.000 2.165 13 E HA 0.446 4.796 4.350 -0.000 0.000 0.266 13 E C 0.396 176.971 176.600 -0.042 0.000 0.889 13 E CA -0.868 55.517 56.400 -0.026 0.000 0.756 13 E CB 1.305 30.977 29.700 -0.047 0.000 1.131 13 E HN 0.145 nan 8.360 nan 0.000 0.411 14 K N 4.661 125.038 120.400 -0.039 0.000 2.326 14 K HA -0.172 4.148 4.320 -0.000 0.000 0.241 14 K C -1.777 174.790 176.600 -0.055 0.000 1.208 14 K CA -0.029 56.232 56.287 -0.044 0.000 1.219 14 K CB -0.132 32.343 32.500 -0.041 0.000 0.717 14 K HN 0.347 nan 8.250 nan 0.000 0.526 15 P HA -0.200 nan 4.420 nan 0.000 0.217 15 P C 1.472 178.737 177.300 -0.058 0.000 1.148 15 P CA 1.264 64.329 63.100 -0.059 0.000 0.834 15 P CB 0.202 31.859 31.700 -0.071 0.000 0.783 16 S N -0.505 115.163 115.700 -0.053 0.000 2.348 16 S HA -0.198 4.272 4.470 -0.000 0.000 0.221 16 S C 2.019 176.590 174.600 -0.049 0.000 1.033 16 S CA 1.569 59.741 58.200 -0.047 0.000 1.010 16 S CB -1.130 62.045 63.200 -0.041 0.000 0.891 16 S HN 0.097 nan 8.310 nan 0.000 0.442 17 A N 0.711 123.500 122.820 -0.053 0.000 2.070 17 A HA 0.074 4.394 4.320 -0.000 0.000 0.220 17 A C 2.122 179.659 177.584 -0.078 0.000 1.159 17 A CA 1.330 53.331 52.037 -0.059 0.000 0.656 17 A CB -0.685 18.280 19.000 -0.059 0.000 0.800 17 A HN 0.537 nan 8.150 nan 0.000 0.453 18 L N -0.398 120.771 121.223 -0.089 0.000 1.973 18 L HA -0.108 4.232 4.340 -0.000 0.000 0.208 18 L C 2.675 179.497 176.870 -0.081 0.000 1.073 18 L CA 1.990 56.759 54.840 -0.118 0.000 0.746 18 L CB -0.512 41.479 42.059 -0.112 0.000 0.891 18 L HN 0.344 nan 8.230 nan 0.000 0.433 19 R N -1.088 119.378 120.500 -0.056 0.000 2.091 19 R HA -0.186 4.154 4.340 -0.000 0.000 0.238 19 R C 2.352 178.631 176.300 -0.035 0.000 1.136 19 R CA 1.454 57.530 56.100 -0.039 0.000 0.959 19 R CB -0.547 29.731 30.300 -0.036 0.000 0.856 19 R HN 0.235 nan 8.270 nan 0.000 0.437 20 R N 0.311 120.788 120.500 -0.039 0.000 2.185 20 R HA -0.170 4.170 4.340 -0.000 0.000 0.247 20 R C 1.966 178.246 176.300 -0.032 0.000 1.159 20 R CA 1.588 57.669 56.100 -0.033 0.000 0.988 20 R CB -0.136 30.143 30.300 -0.034 0.000 0.871 20 R HN 0.308 nan 8.270 nan 0.000 0.458 21 A N -1.668 121.125 122.820 -0.044 0.000 2.044 21 A HA 0.224 4.544 4.320 -0.000 0.000 0.213 21 A C 1.425 178.992 177.584 -0.029 0.000 1.169 21 A CA 1.047 53.058 52.037 -0.043 0.000 0.724 21 A CB 0.441 19.399 19.000 -0.069 0.000 0.840 21 A HN 0.474 nan 8.150 nan 0.000 0.463 22 G N -1.488 107.297 108.800 -0.025 0.000 2.227 22 G HA2 -0.111 3.849 3.960 -0.000 0.000 0.168 22 G HA3 -0.111 3.849 3.960 -0.000 0.000 0.168 22 G C -0.230 174.675 174.900 0.009 0.000 1.006 22 G CA -0.087 45.011 45.100 -0.004 0.000 0.684 22 G HN 0.256 nan 8.290 nan 0.000 0.489 23 K N 1.367 121.764 120.400 -0.005 0.000 2.250 23 K HA 0.578 4.898 4.320 -0.000 0.000 0.285 23 K C 0.213 176.831 176.600 0.030 0.000 1.097 23 K CA -0.609 55.703 56.287 0.043 0.000 0.913 23 K CB 0.974 33.477 32.500 0.004 0.000 1.179 23 K HN 0.488 nan 8.250 nan 0.000 0.462 24 L N 4.543 125.776 121.223 0.017 0.000 2.369 24 L HA 0.407 4.747 4.340 -0.000 0.000 0.279 24 L C -2.525 174.332 176.870 -0.021 0.000 1.108 24 L CA -1.333 53.477 54.840 -0.049 0.000 0.852 24 L CB 0.432 42.397 42.059 -0.158 0.000 1.169 24 L HN 0.372 nan 8.230 nan 0.000 0.452 25 P HA 0.577 nan 4.420 nan 0.000 0.274 25 P C -0.262 177.077 177.300 0.065 0.000 1.256 25 P CA -0.278 62.894 63.100 0.120 0.000 0.795 25 P CB 1.155 32.941 31.700 0.143 0.000 1.038 26 G N -1.550 107.276 108.800 0.044 0.000 2.500 26 G HA2 0.519 4.479 3.960 -0.000 0.000 0.299 26 G HA3 0.519 4.479 3.960 -0.000 0.000 0.299 26 G C -1.898 172.941 174.900 -0.103 0.000 1.242 26 G CA -0.374 44.476 45.100 -0.416 0.000 0.859 26 G HN 0.574 nan 8.290 nan 0.000 0.481 27 V N 0.860 120.692 119.914 -0.137 0.000 2.881 27 V HA 0.517 4.637 4.120 -0.000 0.000 0.275 27 V C -1.031 175.145 176.094 0.137 0.000 1.518 27 V CA -0.505 61.862 62.300 0.112 0.000 0.936 27 V CB 1.591 33.561 31.823 0.244 0.000 1.165 27 V HN 1.217 nan 8.190 nan 0.000 0.447 28 M N 7.318 127.016 119.600 0.163 0.000 2.157 28 M HA 0.805 5.285 4.480 -0.000 0.000 0.354 28 M C -1.144 175.261 176.300 0.174 0.000 1.170 28 M CA -0.166 55.186 55.300 0.088 0.000 1.060 28 M CB 1.253 33.904 32.600 0.085 0.000 1.615 28 M HN 0.758 nan 8.290 nan 0.000 0.460 29 Y N 0.846 121.265 120.300 0.198 0.000 2.677 29 Y HA 0.880 5.430 4.550 -0.000 0.000 0.334 29 Y C -0.986 175.108 175.900 0.322 0.000 1.154 29 Y CA -1.213 56.993 58.100 0.178 0.000 1.070 29 Y CB 1.189 39.698 38.460 0.082 0.000 1.294 29 Y HN 0.992 nan 8.280 nan 0.000 0.475 30 N N -0.631 118.367 118.700 0.496 0.000 4.200 30 N HA 0.022 4.762 4.740 -0.000 0.000 0.224 30 N C -0.115 175.499 175.510 0.173 0.000 1.298 30 N CA -0.484 52.871 53.050 0.509 0.000 0.795 30 N CB 0.865 39.577 38.487 0.376 0.000 1.495 30 N HN 0.950 nan 8.380 nan 0.000 0.442 31 R N -0.360 120.138 120.500 -0.002 0.000 2.228 31 R HA -0.250 4.090 4.340 -0.000 0.000 0.259 31 R C 0.517 176.615 176.300 -0.337 0.000 1.183 31 R CA 2.274 58.222 56.100 -0.253 0.000 1.002 31 R CB -0.319 29.701 30.300 -0.465 0.000 0.879 31 R HN 0.645 nan 8.270 nan 0.000 0.467 32 H N -0.833 118.310 119.070 0.122 0.000 2.429 32 H HA 0.095 4.651 4.556 0.000 0.000 0.303 32 H C 0.184 175.576 175.328 0.107 0.000 1.201 32 H CA -0.173 55.931 56.048 0.094 0.000 1.776 32 H CB -0.988 28.815 29.762 0.068 0.000 1.505 32 H HN 0.085 nan 8.280 nan 0.000 0.631 33 L N 2.395 123.772 121.223 0.257 0.000 2.397 33 L HA 0.190 4.530 4.340 -0.000 0.000 0.271 33 L C -0.098 176.897 176.870 0.208 0.000 1.148 33 L CA 0.086 55.044 54.840 0.197 0.000 0.825 33 L CB 0.214 42.376 42.059 0.172 0.000 1.117 33 L HN 0.396 nan 8.230 nan 0.000 0.456 34 N N 3.020 121.834 118.700 0.191 0.000 2.640 34 N HA 0.433 5.173 4.740 -0.000 0.000 0.262 34 N C -1.509 174.113 175.510 0.188 0.000 1.174 34 N CA -0.542 52.633 53.050 0.208 0.000 0.791 34 N CB 0.471 39.050 38.487 0.153 0.000 1.279 34 N HN 0.390 nan 8.380 nan 0.000 0.535 35 R N 1.769 122.389 120.500 0.199 0.000 2.686 35 R HA 0.394 4.734 4.340 -0.000 0.000 0.283 35 R C -0.646 175.745 176.300 0.151 0.000 0.978 35 R CA -0.697 55.515 56.100 0.186 0.000 0.897 35 R CB 1.326 31.767 30.300 0.236 0.000 1.192 35 R HN 0.487 nan 8.270 nan 0.000 0.457 36 K N 1.741 122.238 120.400 0.162 0.000 2.379 36 K HA 0.271 4.591 4.320 -0.000 0.000 0.284 36 K C 0.386 177.041 176.600 0.092 0.000 1.044 36 K CA -0.177 56.201 56.287 0.152 0.000 0.974 36 K CB 0.627 33.228 32.500 0.167 0.000 0.962 36 K HN 0.363 nan 8.250 nan 0.000 0.474 37 V N 0.465 120.433 119.914 0.091 0.000 3.105 37 V HA 0.548 4.668 4.120 -0.000 0.000 0.311 37 V C -0.991 175.233 176.094 0.215 0.000 1.282 37 V CA -1.008 61.307 62.300 0.025 0.000 1.065 37 V CB 1.129 32.921 31.823 -0.052 0.000 1.136 37 V HN 0.858 nan 8.190 nan 0.000 0.469 38 Y N -0.287 120.057 120.300 0.072 0.000 3.007 38 Y HA 0.619 5.169 4.550 -0.000 0.000 0.243 38 Y C -0.485 175.453 175.900 0.064 0.000 0.892 38 Y CA -0.763 57.369 58.100 0.053 0.000 1.136 38 Y CB -0.863 37.614 38.460 0.029 0.000 1.205 38 Y HN 0.885 nan 8.280 nan 0.000 0.618 39 V N -0.912 119.079 119.914 0.128 0.000 2.872 39 V HA -0.038 4.082 4.120 -0.000 0.000 0.302 39 V C 0.843 177.031 176.094 0.157 0.000 1.166 39 V CA 0.309 62.707 62.300 0.163 0.000 1.298 39 V CB 0.857 32.875 31.823 0.325 0.000 0.894 39 V HN 0.715 nan 8.190 nan 0.000 0.509 40 D N 3.239 123.727 120.400 0.147 0.000 2.400 40 D HA -0.029 4.611 4.640 -0.000 0.000 0.238 40 D C 0.693 177.088 176.300 0.159 0.000 1.157 40 D CA -0.268 53.806 54.000 0.124 0.000 0.889 40 D CB 1.316 42.175 40.800 0.100 0.000 1.199 40 D HN 0.651 nan 8.370 nan 0.000 0.436 41 L N 4.422 125.713 121.223 0.114 0.000 2.062 41 L HA -0.111 4.229 4.340 -0.000 0.000 0.202 41 L C 2.482 179.462 176.870 0.183 0.000 1.079 41 L CA 1.199 56.113 54.840 0.123 0.000 0.755 41 L CB -1.254 40.839 42.059 0.057 0.000 0.913 41 L HN 0.505 nan 8.230 nan 0.000 0.445 42 V N 0.720 120.709 119.914 0.124 0.000 2.324 42 V HA -0.315 3.805 4.120 -0.000 0.000 0.250 42 V C 2.440 178.607 176.094 0.123 0.000 1.060 42 V CA 2.296 64.662 62.300 0.110 0.000 1.042 42 V CB -0.313 31.554 31.823 0.073 0.000 0.650 42 V HN 0.591 nan 8.190 nan 0.000 0.450 43 E N -0.679 119.600 120.200 0.132 0.000 2.031 43 E HA -0.220 4.130 4.350 -0.000 0.000 0.193 43 E C 2.038 178.718 176.600 0.133 0.000 0.994 43 E CA 1.689 58.160 56.400 0.117 0.000 0.800 43 E CB -0.399 29.376 29.700 0.124 0.000 0.752 43 E HN 0.740 nan 8.360 nan 0.000 0.447 44 F N 2.690 122.686 119.950 0.077 0.000 2.065 44 F HA -0.286 4.241 4.527 -0.000 0.000 0.298 44 F C 2.074 177.946 175.800 0.120 0.000 1.112 44 F CA 1.973 60.035 58.000 0.104 0.000 1.212 44 F CB -0.262 38.796 39.000 0.098 0.000 0.975 44 F HN -0.024 nan 8.300 nan 0.000 0.476 45 D N 0.490 121.099 120.400 0.348 0.000 2.108 45 D HA -0.247 4.393 4.640 -0.000 0.000 0.190 45 D C 2.118 178.433 176.300 0.025 0.000 0.995 45 D CA 1.944 56.083 54.000 0.232 0.000 0.834 45 D CB -0.245 40.679 40.800 0.207 0.000 0.967 45 D HN 0.336 nan 8.370 nan 0.000 0.446 46 K N -0.147 120.267 120.400 0.023 0.000 2.189 46 K HA -0.173 4.147 4.320 -0.000 0.000 0.207 46 K C 2.120 178.648 176.600 -0.120 0.000 1.046 46 K CA 1.051 57.322 56.287 -0.027 0.000 0.928 46 K CB 0.082 32.586 32.500 0.006 0.000 0.720 46 K HN 0.134 nan 8.250 nan 0.000 0.458 47 V N 0.064 119.868 119.914 -0.182 0.000 2.326 47 V HA -0.129 3.991 4.120 -0.000 0.000 0.237 47 V C 1.716 177.536 176.094 -0.458 0.000 1.044 47 V CA 1.159 63.248 62.300 -0.351 0.000 1.035 47 V CB -0.478 31.177 31.823 -0.280 0.000 0.675 47 V HN 0.209 nan 8.190 nan 0.000 0.470 48 F N 0.700 120.247 119.950 -0.671 0.000 2.373 48 F HA -0.143 4.384 4.527 0.000 0.000 0.300 48 F C 2.537 178.143 175.800 -0.322 0.000 1.080 48 F CA 1.019 58.658 58.000 -0.601 0.000 1.417 48 F CB -0.089 38.299 39.000 -1.020 0.000 1.070 48 F HN -0.048 nan 8.300 nan 0.000 0.546 49 R N 0.716 121.037 120.500 -0.299 0.000 2.097 49 R HA -0.197 4.143 4.340 -0.000 0.000 0.236 49 R C 1.865 177.986 176.300 -0.299 0.000 1.135 49 R CA 2.221 58.173 56.100 -0.248 0.000 0.934 49 R CB -0.836 29.390 30.300 -0.124 0.000 0.846 49 R HN 0.461 nan 8.270 nan 0.000 0.431 50 Q N -1.381 118.248 119.800 -0.285 0.000 2.356 50 Q HA 0.220 4.560 4.340 -0.000 0.000 0.205 50 Q C 1.631 177.496 176.000 -0.225 0.000 0.901 50 Q CA 0.363 56.046 55.803 -0.201 0.000 0.938 50 Q CB 0.616 29.288 28.738 -0.110 0.000 1.081 50 Q HN 0.260 nan 8.270 nan 0.000 0.517 51 A N 1.109 123.693 122.820 -0.394 0.000 1.823 51 A HA 0.049 4.369 4.320 -0.000 0.000 0.214 51 A C 0.963 178.433 177.584 -0.190 0.000 1.225 51 A CA 1.012 52.879 52.037 -0.283 0.000 0.604 51 A CB -0.369 18.435 19.000 -0.327 0.000 0.878 51 A HN 0.270 nan 8.150 nan 0.000 0.450 52 S N -2.720 112.616 115.700 -0.608 0.000 3.918 52 S HA -0.157 4.313 4.470 -0.000 0.000 0.653 52 S C 0.379 174.989 174.600 0.016 0.000 1.661 52 S CA 0.539 58.312 58.200 -0.713 0.000 1.805 52 S CB -1.593 61.369 63.200 -0.396 0.000 0.331 52 S HN 1.522 nan 8.310 nan 0.000 1.611 53 I N 1.435 122.029 120.570 0.040 0.000 3.334 53 I HA 0.200 4.370 4.170 -0.000 0.000 0.282 53 I C 1.722 177.871 176.117 0.053 0.000 1.313 53 I CA 0.868 62.252 61.300 0.140 0.000 1.396 53 I CB -0.914 37.129 38.000 0.072 0.000 1.054 53 I HN 0.571 nan 8.210 nan 0.000 0.495 54 H N -0.244 118.929 119.070 0.171 0.000 2.403 54 H HA 0.198 4.754 4.556 -0.000 0.000 0.298 54 H C 0.649 176.066 175.328 0.149 0.000 1.059 54 H CA 0.993 57.132 56.048 0.152 0.000 1.363 54 H CB -0.088 29.754 29.762 0.134 0.000 1.410 54 H HN 0.404 nan 8.280 nan 0.000 0.528 55 H N 0.089 119.289 119.070 0.216 0.000 2.651 55 H HA 0.297 4.853 4.556 -0.000 0.000 0.353 55 H C -0.350 175.071 175.328 0.156 0.000 1.178 55 H CA -0.745 55.406 56.048 0.172 0.000 1.224 55 H CB 2.327 32.209 29.762 0.201 0.000 1.702 55 H HN -0.161 nan 8.280 nan 0.000 0.550 56 V N 3.711 123.698 119.914 0.121 0.000 2.834 56 V HA 0.137 4.257 4.120 -0.000 0.000 0.301 56 V C 0.544 176.737 176.094 0.165 0.000 1.066 56 V CA -0.379 61.984 62.300 0.105 0.000 1.052 56 V CB 1.033 32.861 31.823 0.009 0.000 1.021 56 V HN 0.418 nan 8.190 nan 0.000 0.480 57 I N 2.274 122.889 120.570 0.074 0.000 2.846 57 I HA 0.531 4.701 4.170 -0.000 0.000 0.307 57 I C -0.376 175.710 176.117 -0.051 0.000 1.053 57 I CA -0.812 60.507 61.300 0.033 0.000 1.050 57 I CB 2.045 40.022 38.000 -0.039 0.000 1.239 57 I HN 0.269 nan 8.210 nan 0.000 0.439 58 V N 4.957 124.840 119.914 -0.052 0.000 2.448 58 V HA 0.400 4.520 4.120 -0.000 0.000 0.295 58 V C 0.000 176.021 176.094 -0.122 0.000 1.025 58 V CA -0.636 61.617 62.300 -0.079 0.000 0.859 58 V CB 1.913 33.711 31.823 -0.042 0.000 0.988 58 V HN 0.402 nan 8.190 nan 0.000 0.431 59 L N 4.823 125.947 121.223 -0.164 0.000 2.283 59 L HA 0.396 4.736 4.340 -0.000 0.000 0.287 59 L C 0.567 177.359 176.870 -0.129 0.000 1.073 59 L CA -0.029 54.697 54.840 -0.189 0.000 0.822 59 L CB 0.604 42.515 42.059 -0.247 0.000 1.186 59 L HN 0.673 nan 8.230 nan 0.000 0.436 60 E N 4.706 124.838 120.200 -0.114 0.000 1.964 60 E HA 0.183 4.533 4.350 -0.000 0.000 0.264 60 E C -0.133 176.369 176.600 -0.163 0.000 1.120 60 E CA -0.553 55.786 56.400 -0.102 0.000 1.061 60 E CB 0.574 30.233 29.700 -0.068 0.000 1.190 60 E HN 0.404 nan 8.360 nan 0.000 0.459 61 L N 1.825 122.955 121.223 -0.155 0.000 2.371 61 L HA -0.030 4.310 4.340 -0.000 0.000 0.234 61 L C -1.093 175.622 176.870 -0.259 0.000 1.230 61 L CA -0.620 54.106 54.840 -0.190 0.000 0.825 61 L CB -0.780 41.288 42.059 0.015 0.000 1.157 61 L HN 0.251 nan 8.230 nan 0.000 0.565 62 P HA 0.054 nan 4.420 nan 0.000 0.245 62 P C -0.559 176.687 177.300 -0.090 0.000 1.206 62 P CA 0.718 63.679 63.100 -0.233 0.000 0.781 62 P CB 0.418 32.013 31.700 -0.174 0.000 0.994 63 D N -0.644 119.726 120.400 -0.051 0.000 2.400 63 D HA 0.254 4.894 4.640 -0.000 0.000 0.272 63 D C 1.317 177.598 176.300 -0.033 0.000 1.220 63 D CA -0.099 53.874 54.000 -0.044 0.000 0.897 63 D CB 0.826 41.588 40.800 -0.063 0.000 1.134 63 D HN -0.025 nan 8.370 nan 0.000 0.507 64 G N 2.571 111.347 108.800 -0.038 0.000 4.217 64 G HA2 -0.420 3.540 3.960 -0.000 0.000 0.366 64 G HA3 -0.420 3.540 3.960 -0.000 0.000 0.366 64 G C 0.566 175.448 174.900 -0.030 0.000 1.707 64 G CA 0.418 45.499 45.100 -0.033 0.000 1.697 64 G HN 0.565 nan 8.290 nan 0.000 0.855 65 Q N 0.911 120.700 119.800 -0.019 0.000 3.555 65 Q HA 0.134 4.474 4.340 -0.000 0.000 0.401 65 Q C -0.385 175.599 176.000 -0.026 0.000 1.052 65 Q CA 0.954 56.749 55.803 -0.012 0.000 1.214 65 Q CB -0.104 28.644 28.738 0.015 0.000 1.150 65 Q HN 0.420 nan 8.270 nan 0.000 0.509 66 S N 3.639 119.320 115.700 -0.033 0.000 2.532 66 S HA 0.331 4.801 4.470 -0.000 0.000 0.256 66 S C -0.695 173.874 174.600 -0.050 0.000 1.298 66 S CA -0.680 57.492 58.200 -0.047 0.000 1.166 66 S CB 0.387 63.562 63.200 -0.042 0.000 1.022 66 S HN 0.290 nan 8.310 nan 0.000 0.480 67 L N 5.053 126.238 121.223 -0.064 0.000 2.350 67 L HA 0.499 4.839 4.340 -0.000 0.000 0.275 67 L C -1.820 174.994 176.870 -0.092 0.000 1.099 67 L CA -1.790 53.009 54.840 -0.069 0.000 0.808 67 L CB -0.062 41.959 42.059 -0.065 0.000 1.149 67 L HN 0.282 nan 8.230 nan 0.000 0.442 68 P HA 0.312 nan 4.420 nan 0.000 0.274 68 P C -1.055 176.181 177.300 -0.107 0.000 1.246 68 P CA -0.320 62.730 63.100 -0.084 0.000 0.795 68 P CB 1.156 32.809 31.700 -0.078 0.000 1.006 69 T N -1.366 113.132 114.554 -0.094 0.000 3.012 69 T HA 0.483 4.833 4.350 -0.000 0.000 0.330 69 T C -0.872 173.836 174.700 0.014 0.000 1.321 69 T CA -0.678 61.373 62.100 -0.081 0.000 1.067 69 T CB 0.886 69.608 68.868 -0.243 0.000 1.235 69 T HN 0.377 nan 8.240 nan 0.000 0.479 70 L N 3.062 124.338 121.223 0.088 0.000 2.492 70 L HA 0.443 4.783 4.340 -0.000 0.000 0.258 70 L C -0.274 176.732 176.870 0.227 0.000 1.028 70 L CA -0.939 53.990 54.840 0.148 0.000 0.900 70 L CB 1.072 43.192 42.059 0.102 0.000 1.191 70 L HN 0.750 nan 8.230 nan 0.000 0.459 71 V N 4.179 124.255 119.914 0.269 0.000 2.839 71 V HA -0.183 3.937 4.120 -0.000 0.000 0.296 71 V C 1.432 177.580 176.094 0.090 0.000 1.239 71 V CA 0.744 63.148 62.300 0.173 0.000 1.349 71 V CB 0.220 32.095 31.823 0.087 0.000 0.852 71 V HN 0.777 nan 8.190 nan 0.000 0.504 72 R N 2.627 123.118 120.500 -0.015 0.000 2.250 72 R HA 0.170 4.510 4.340 -0.000 0.000 0.194 72 R C 0.442 176.721 176.300 -0.035 0.000 0.927 72 R CA 0.557 56.652 56.100 -0.008 0.000 1.052 72 R CB 0.480 30.746 30.300 -0.056 0.000 1.055 72 R HN 1.008 nan 8.270 nan 0.000 0.537 73 Q N -0.863 118.876 119.800 -0.102 0.000 2.795 73 Q HA 0.185 4.525 4.340 -0.000 0.000 0.225 73 Q C -1.847 174.045 176.000 -0.181 0.000 0.967 73 Q CA -0.431 55.315 55.803 -0.095 0.000 1.105 73 Q CB 0.979 29.688 28.738 -0.049 0.000 1.759 73 Q HN -0.188 nan 8.270 nan 0.000 0.514 74 V N 3.086 122.907 119.914 -0.154 0.000 2.427 74 V HA 0.434 4.554 4.120 -0.000 0.000 0.286 74 V C -0.309 175.727 176.094 -0.096 0.000 1.034 74 V CA -0.621 61.558 62.300 -0.201 0.000 0.893 74 V CB 1.563 33.292 31.823 -0.158 0.000 0.982 74 V HN 0.736 nan 8.190 nan 0.000 0.452 75 N N 4.432 123.078 118.700 -0.090 0.000 2.456 75 N HA 0.502 5.242 4.740 -0.000 0.000 0.288 75 N C -0.733 174.759 175.510 -0.030 0.000 1.059 75 N CA -0.580 52.450 53.050 -0.033 0.000 0.946 75 N CB 1.990 40.480 38.487 0.004 0.000 1.150 75 N HN 0.304 nan 8.380 nan 0.000 0.479 76 L N 0.711 121.925 121.223 -0.015 0.000 2.544 76 L HA 0.326 4.666 4.340 -0.000 0.000 0.256 76 L C 1.217 178.080 176.870 -0.013 0.000 1.097 76 L CA -0.081 54.754 54.840 -0.009 0.000 0.812 76 L CB 0.176 42.237 42.059 0.004 0.000 1.440 76 L HN 0.523 nan 8.230 nan 0.000 0.496 77 D N -1.563 118.832 120.400 -0.008 0.000 2.440 77 D HA 0.079 4.719 4.640 -0.000 0.000 0.216 77 D C 0.778 177.074 176.300 -0.007 0.000 1.150 77 D CA 0.021 54.015 54.000 -0.011 0.000 0.832 77 D CB 0.380 41.174 40.800 -0.010 0.000 0.992 77 D HN 0.371 nan 8.370 nan 0.000 0.502 78 K N 0.207 120.605 120.400 -0.004 0.000 6.395 78 K HA -0.257 4.063 4.320 -0.000 0.000 0.314 78 K C 0.381 176.982 176.600 0.001 0.000 0.630 78 K CA 1.839 58.125 56.287 -0.002 0.000 1.058 78 K CB -1.734 30.762 32.500 -0.005 0.000 0.792 78 K HN 0.431 nan 8.250 nan 0.000 0.909 79 R N 4.161 124.660 120.500 -0.001 0.000 2.449 79 R HA 0.158 4.498 4.340 -0.000 0.000 0.296 79 R C 0.016 176.316 176.300 0.002 0.000 1.047 79 R CA 0.414 56.514 56.100 0.000 0.000 1.018 79 R CB 0.281 30.580 30.300 -0.002 0.000 0.962 79 R HN 0.488 nan 8.270 nan 0.000 0.428 80 R N 1.631 122.134 120.500 0.005 0.000 3.493 80 R HA -0.143 4.197 4.340 -0.000 0.000 0.297 80 R C -0.497 175.810 176.300 0.011 0.000 1.145 80 R CA 1.004 57.108 56.100 0.007 0.000 0.792 80 R CB -2.018 28.284 30.300 0.004 0.000 1.368 80 R HN 1.026 nan 8.270 nan 0.000 0.454 81 R N 0.490 120.998 120.500 0.013 0.000 4.712 81 R HA -0.125 4.215 4.340 -0.000 0.000 0.137 81 R C 0.189 176.505 176.300 0.028 0.000 0.264 81 R CA 1.158 57.269 56.100 0.020 0.000 0.887 81 R CB -0.328 29.986 30.300 0.023 0.000 1.016 81 R HN 0.340 nan 8.270 nan 0.000 0.307 82 R N 2.759 123.272 120.500 0.022 0.000 2.725 82 R HA 0.475 4.815 4.340 -0.000 0.000 0.277 82 R C -2.610 173.697 176.300 0.011 0.000 0.987 82 R CA -2.502 53.614 56.100 0.026 0.000 0.901 82 R CB 2.039 32.351 30.300 0.019 0.000 1.207 82 R HN 0.278 nan 8.270 nan 0.000 0.463 83 P HA 0.092 nan 4.420 nan 0.000 0.275 83 P C -0.827 176.434 177.300 -0.066 0.000 1.227 83 P CA 0.031 63.105 63.100 -0.043 0.000 0.781 83 P CB 1.397 33.048 31.700 -0.082 0.000 0.906 84 E N 0.525 120.686 120.200 -0.066 0.000 2.306 84 E HA 0.047 4.397 4.350 -0.000 0.000 0.201 84 E C 0.191 176.782 176.600 -0.016 0.000 0.874 84 E CA 0.734 57.106 56.400 -0.046 0.000 0.972 84 E CB 0.375 30.054 29.700 -0.034 0.000 0.957 84 E HN 0.629 nan 8.360 nan 0.000 0.492 85 H N 0.720 119.676 119.070 -0.190 0.000 3.177 85 H HA 0.300 4.856 4.556 -0.000 0.000 0.314 85 H C -0.976 174.150 175.328 -0.336 0.000 1.059 85 H CA -0.473 55.438 56.048 -0.228 0.000 1.515 85 H CB 1.383 31.053 29.762 -0.153 0.000 1.672 85 H HN -0.146 nan 8.280 nan 0.000 0.514 86 V N 2.554 122.073 119.914 -0.658 0.000 2.348 86 V HA 0.327 4.447 4.120 -0.000 0.000 0.270 86 V C -0.430 174.979 176.094 -1.142 0.000 1.037 86 V CA -0.632 61.117 62.300 -0.918 0.000 0.872 86 V CB 0.724 31.712 31.823 -1.392 0.000 1.002 86 V HN 0.761 nan 8.190 nan 0.000 0.464 87 D N 4.362 124.208 120.400 -0.924 0.000 2.481 87 D HA 0.606 5.246 4.640 -0.000 0.000 0.246 87 D C -0.665 175.281 176.300 -0.590 0.000 1.109 87 D CA -0.551 52.965 54.000 -0.806 0.000 0.845 87 D CB 1.410 41.928 40.800 -0.471 0.000 1.160 87 D HN 0.411 nan 8.370 nan 0.000 0.534 88 F N 1.210 121.012 119.950 -0.247 0.000 2.399 88 F HA 0.386 4.913 4.527 -0.000 0.000 0.334 88 F C 0.152 175.785 175.800 -0.279 0.000 1.097 88 F CA -1.965 55.918 58.000 -0.195 0.000 1.076 88 F CB 0.543 39.492 39.000 -0.086 0.000 1.162 88 F HN 0.277 nan 8.300 nan 0.000 0.495 89 F N 2.647 122.478 119.950 -0.198 0.000 2.456 89 F HA 0.448 4.975 4.527 -0.000 0.000 0.358 89 F C -0.132 175.597 175.800 -0.118 0.000 1.095 89 F CA -0.973 56.858 58.000 -0.281 0.000 1.216 89 F CB 0.796 39.712 39.000 -0.141 0.000 1.125 89 F HN 0.147 nan 8.300 nan 0.000 0.549 90 V N 7.610 127.574 119.914 0.084 0.000 2.488 90 V HA 0.054 4.174 4.120 -0.000 0.000 0.277 90 V C 0.381 176.280 176.094 -0.326 0.000 1.046 90 V CA -0.419 61.829 62.300 -0.087 0.000 0.986 90 V CB 1.085 32.919 31.823 0.018 0.000 0.989 90 V HN 0.599 nan 8.190 nan 0.000 0.475 91 L N 4.270 125.345 121.223 -0.245 0.000 2.349 91 L HA 0.299 4.639 4.340 -0.000 0.000 0.275 91 L C 0.980 177.749 176.870 -0.167 0.000 1.115 91 L CA 0.555 55.238 54.840 -0.261 0.000 0.820 91 L CB 1.586 43.541 42.059 -0.172 0.000 1.135 91 L HN 0.889 nan 8.230 nan 0.000 0.445 92 S N 1.379 116.978 115.700 -0.169 0.000 3.641 92 S HA 0.261 4.731 4.470 -0.000 0.000 0.180 92 S C -0.315 174.242 174.600 -0.071 0.000 0.854 92 S CA 0.516 58.667 58.200 -0.081 0.000 1.343 92 S CB 0.508 63.679 63.200 -0.048 0.000 0.685 92 S HN 0.848 nan 8.310 nan 0.000 0.724 93 D N -0.452 119.915 120.400 -0.055 0.000 3.181 93 D HA 0.227 4.867 4.640 -0.000 0.000 0.285 93 D C -0.523 175.759 176.300 -0.031 0.000 1.636 93 D CA -0.377 53.596 54.000 -0.045 0.000 0.848 93 D CB -0.609 40.171 40.800 -0.034 0.000 1.521 93 D HN 0.226 nan 8.370 nan 0.000 0.485 94 E N 0.530 120.710 120.200 -0.034 0.000 2.302 94 E HA 0.381 4.731 4.350 -0.000 0.000 0.255 94 E C -2.260 174.332 176.600 -0.013 0.000 1.099 94 E CA -2.215 54.177 56.400 -0.013 0.000 0.929 94 E CB -0.045 29.654 29.700 -0.001 0.000 1.203 94 E HN -0.089 nan 8.360 nan 0.000 0.459 95 P HA 0.046 nan 4.420 nan 0.000 0.244 95 P C -0.627 176.687 177.300 0.023 0.000 1.723 95 P CA 0.157 63.263 63.100 0.009 0.000 1.110 95 P CB -0.177 31.533 31.700 0.017 0.000 1.972 96 V N 2.903 122.821 119.914 0.007 0.000 2.415 96 V HA 0.009 4.129 4.120 -0.000 0.000 0.267 96 V C 1.045 177.174 176.094 0.058 0.000 1.042 96 V CA 0.001 62.317 62.300 0.027 0.000 1.000 96 V CB -0.147 31.652 31.823 -0.040 0.000 1.015 96 V HN 0.301 nan 8.190 nan 0.000 0.478 97 E N 5.182 125.445 120.200 0.106 0.000 2.404 97 E HA 0.568 4.918 4.350 -0.000 0.000 0.261 97 E C -0.033 176.645 176.600 0.129 0.000 1.074 97 E CA 0.145 56.602 56.400 0.094 0.000 0.917 97 E CB 0.865 30.631 29.700 0.110 0.000 0.965 97 E HN 0.748 nan 8.360 nan 0.000 0.433 98 M N -0.136 119.518 119.600 0.090 0.000 2.853 98 M HA 0.380 4.860 4.480 -0.000 0.000 0.273 98 M C -1.803 174.557 176.300 0.101 0.000 1.128 98 M CA -0.762 54.641 55.300 0.171 0.000 0.814 98 M CB 1.222 33.903 32.600 0.137 0.000 1.667 98 M HN 0.347 nan 8.290 nan 0.000 0.519 99 Y N 1.251 121.624 120.300 0.122 0.000 2.367 99 Y HA 0.598 5.148 4.550 -0.000 0.000 0.342 99 Y C -0.335 175.655 175.900 0.151 0.000 0.979 99 Y CA -0.747 57.436 58.100 0.137 0.000 1.161 99 Y CB 1.632 40.205 38.460 0.189 0.000 1.155 99 Y HN 0.452 nan 8.280 nan 0.000 0.503 100 V N 6.853 126.828 119.914 0.102 0.000 2.465 100 V HA 0.252 4.372 4.120 -0.000 0.000 0.279 100 V C -1.988 174.090 176.094 -0.027 0.000 1.045 100 V CA -2.317 60.004 62.300 0.035 0.000 0.938 100 V CB 1.069 32.875 31.823 -0.028 0.000 0.986 100 V HN 0.601 nan 8.190 nan 0.000 0.467 101 P HA 0.115 nan 4.420 nan 0.000 0.276 101 P C -0.776 176.419 177.300 -0.176 0.000 1.264 101 P CA -0.076 62.872 63.100 -0.253 0.000 0.815 101 P CB 0.337 31.874 31.700 -0.272 0.000 1.121 102 L N -0.132 120.935 121.223 -0.260 0.000 2.490 102 L HA 0.262 4.602 4.340 -0.000 0.000 0.261 102 L C -0.255 176.137 176.870 -0.797 0.000 1.232 102 L CA 0.244 54.808 54.840 -0.459 0.000 0.892 102 L CB 0.643 42.410 42.059 -0.486 0.000 1.085 102 L HN 0.150 nan 8.230 nan 0.000 0.491 103 R N 1.677 121.857 120.500 -0.534 0.000 2.267 103 R HA 0.342 4.682 4.340 -0.000 0.000 0.319 103 R C 0.241 176.231 176.300 -0.517 0.000 1.067 103 R CA -0.088 55.726 56.100 -0.477 0.000 0.936 103 R CB 0.702 30.770 30.300 -0.387 0.000 1.006 103 R HN 0.330 nan 8.270 nan 0.000 0.452 104 F N 1.773 121.678 119.950 -0.074 0.000 2.104 104 F HA -0.028 4.499 4.527 0.000 0.000 0.288 104 F C 1.170 176.929 175.800 -0.069 0.000 1.107 104 F CA 0.384 58.350 58.000 -0.056 0.000 1.208 104 F CB -0.252 38.729 39.000 -0.031 0.000 1.033 104 F HN 0.252 nan 8.300 nan 0.000 0.478 105 V N 0.304 120.305 119.914 0.146 0.000 3.673 105 V HA 0.014 4.134 4.120 -0.000 0.000 0.521 105 V C 0.454 176.573 176.094 0.042 0.000 0.682 105 V CA 0.735 63.062 62.300 0.046 0.000 2.075 105 V CB -0.547 31.256 31.823 -0.034 0.000 2.486 105 V HN 1.153 nan 8.190 nan 0.000 0.514 106 G N 3.293 112.109 108.800 0.026 0.000 3.302 106 G HA2 0.303 4.263 3.960 -0.000 0.000 0.216 106 G HA3 0.303 4.263 3.960 -0.000 0.000 0.216 106 G C 1.137 176.043 174.900 0.009 0.000 1.008 106 G CA 1.016 46.126 45.100 0.017 0.000 0.852 106 G HN 2.926 nan 8.290 nan 0.000 0.485 107 T N 0.779 115.338 114.554 0.009 0.000 3.429 107 T HA -0.114 4.236 4.350 -0.000 0.000 0.417 107 T C -0.722 173.973 174.700 -0.007 0.000 0.767 107 T CA 1.029 63.126 62.100 -0.004 0.000 2.141 107 T CB -1.753 67.112 68.868 -0.004 0.000 1.699 107 T HN 0.895 nan 8.240 nan 0.000 0.685 108 P HA 0.223 nan 4.420 nan 0.000 0.288 108 P C 1.284 178.576 177.300 -0.013 0.000 1.320 108 P CA 0.565 63.658 63.100 -0.012 0.000 0.862 108 P CB -0.094 31.594 31.700 -0.021 0.000 1.369 109 A N -0.720 122.093 122.820 -0.013 0.000 2.802 109 A HA 0.370 4.690 4.320 -0.000 0.000 0.204 109 A C 1.223 178.799 177.584 -0.015 0.000 1.677 109 A CA 0.736 52.766 52.037 -0.011 0.000 1.023 109 A CB -1.697 17.297 19.000 -0.010 0.000 1.619 109 A HN 0.830 nan 8.150 nan 0.000 0.751 110 G N -1.999 106.793 108.800 -0.014 0.000 2.195 110 G HA2 0.084 4.044 3.960 -0.000 0.000 0.256 110 G HA3 0.084 4.044 3.960 -0.000 0.000 0.256 110 G C 0.194 175.085 174.900 -0.015 0.000 0.817 110 G CA 0.893 45.984 45.100 -0.015 0.000 1.235 110 G HN 1.820 nan 8.290 nan 0.000 0.358 111 V N 2.589 122.496 119.914 -0.011 0.000 4.822 111 V HA 0.447 4.567 4.120 -0.000 0.000 0.163 111 V C 2.332 178.421 176.094 -0.008 0.000 0.972 111 V CA 0.945 63.239 62.300 -0.010 0.000 1.430 111 V CB 0.459 32.277 31.823 -0.008 0.000 2.168 111 V HN 0.454 nan 8.190 nan 0.000 0.434 112 R N 0.758 121.254 120.500 -0.007 0.000 2.096 112 R HA 0.026 4.367 4.340 -0.000 0.000 0.235 112 R C 2.057 178.353 176.300 -0.006 0.000 1.127 112 R CA 2.027 58.123 56.100 -0.006 0.000 0.968 112 R CB -1.409 28.888 30.300 -0.005 0.000 0.861 112 R HN 0.704 nan 8.270 nan 0.000 0.440 113 A N -0.836 121.981 122.820 -0.006 0.000 2.024 113 A HA 0.062 4.382 4.320 -0.000 0.000 0.220 113 A C 1.526 179.106 177.584 -0.007 0.000 1.164 113 A CA 2.083 54.116 52.037 -0.006 0.000 0.643 113 A CB -0.402 18.594 19.000 -0.006 0.000 0.806 113 A HN 0.582 nan 8.150 nan 0.000 0.451 114 G N -2.257 106.537 108.800 -0.009 0.000 3.185 114 G HA2 0.336 4.296 3.960 -0.000 0.000 0.242 114 G HA3 0.336 4.296 3.960 -0.000 0.000 0.242 114 G C 1.378 176.270 174.900 -0.014 0.000 1.754 114 G CA 0.635 45.728 45.100 -0.011 0.000 1.225 114 G HN 2.424 nan 8.290 nan 0.000 0.539 115 G N -1.547 107.244 108.800 -0.014 0.000 2.955 115 G HA2 0.316 4.276 3.960 -0.000 0.000 0.604 115 G HA3 0.316 4.276 3.960 -0.000 0.000 0.604 115 G C -0.273 174.612 174.900 -0.025 0.000 1.572 115 G CA 0.446 45.535 45.100 -0.019 0.000 1.016 115 G HN 1.911 nan 8.290 nan 0.000 0.569 116 V N 1.319 121.214 119.914 -0.032 0.000 2.925 116 V HA 0.619 4.739 4.120 -0.000 0.000 0.311 116 V C 0.722 176.777 176.094 -0.064 0.000 1.104 116 V CA -0.393 61.881 62.300 -0.042 0.000 0.954 116 V CB 1.936 33.739 31.823 -0.033 0.000 1.022 116 V HN 1.282 nan 8.190 nan 0.000 0.427 117 L N 1.033 122.202 121.223 -0.090 0.000 2.401 117 L HA 0.538 4.878 4.340 -0.000 0.000 0.283 117 L C 0.193 176.970 176.870 -0.155 0.000 1.151 117 L CA 0.030 54.776 54.840 -0.156 0.000 0.942 117 L CB -0.126 41.810 42.059 -0.205 0.000 1.283 117 L HN 0.771 nan 8.230 nan 0.000 0.442 118 Q N 2.996 122.723 119.800 -0.122 0.000 2.534 118 Q HA 0.065 4.405 4.340 -0.000 0.000 0.223 118 Q C 0.173 176.107 176.000 -0.110 0.000 1.239 118 Q CA -0.247 55.508 55.803 -0.081 0.000 0.936 118 Q CB 0.435 29.150 28.738 -0.039 0.000 1.457 118 Q HN 0.804 nan 8.270 nan 0.000 0.547 119 E N 2.952 123.067 120.200 -0.142 0.000 3.079 119 E HA -0.018 4.332 4.350 -0.000 0.000 0.267 119 E C -0.469 176.182 176.600 0.086 0.000 1.509 119 E CA 0.070 56.389 56.400 -0.135 0.000 1.630 119 E CB -0.526 29.137 29.700 -0.062 0.000 1.373 119 E HN 0.551 nan 8.360 nan 0.000 0.439 120 I N 2.265 122.880 120.570 0.075 0.000 2.919 120 I HA -0.171 3.999 4.170 -0.000 0.000 0.299 120 I C 0.537 176.822 176.117 0.280 0.000 1.221 120 I CA 0.862 62.243 61.300 0.135 0.000 1.424 120 I CB -0.518 37.541 38.000 0.100 0.000 1.358 120 I HN 0.613 nan 8.210 nan 0.000 0.551 121 H N 5.037 124.189 119.070 0.137 0.000 3.025 121 H HA -0.123 4.433 4.556 -0.000 0.000 0.350 121 H C 0.807 176.269 175.328 0.224 0.000 1.201 121 H CA -0.348 55.804 56.048 0.173 0.000 1.164 121 H CB -0.222 29.640 29.762 0.168 0.000 1.593 121 H HN 0.646 nan 8.280 nan 0.000 0.420 122 R N 1.599 122.293 120.500 0.325 0.000 2.425 122 R HA -0.075 4.265 4.340 -0.000 0.000 0.206 122 R C -0.025 176.345 176.300 0.117 0.000 1.117 122 R CA 1.526 57.777 56.100 0.251 0.000 1.098 122 R CB -0.064 30.366 30.300 0.217 0.000 0.843 122 R HN 0.573 nan 8.270 nan 0.000 0.480 123 D N -2.243 118.192 120.400 0.058 0.000 2.827 123 D HA 0.232 4.872 4.640 -0.000 0.000 0.336 123 D C -0.947 175.223 176.300 -0.216 0.000 1.374 123 D CA -0.754 53.233 54.000 -0.023 0.000 0.794 123 D CB 0.715 41.606 40.800 0.152 0.000 1.364 123 D HN -0.062 nan 8.370 nan 0.000 0.464 124 I N -0.709 119.786 120.570 -0.124 0.000 2.918 124 I HA 0.485 4.655 4.170 -0.000 0.000 0.301 124 I C -1.840 173.972 176.117 -0.508 0.000 1.312 124 I CA -1.353 59.747 61.300 -0.333 0.000 1.007 124 I CB 1.829 39.628 38.000 -0.336 0.000 1.281 124 I HN 0.616 nan 8.210 nan 0.000 0.440 125 L N 8.044 128.676 121.223 -0.985 0.000 2.380 125 L HA 0.725 5.065 4.340 -0.000 0.000 0.273 125 L C -0.943 175.725 176.870 -0.337 0.000 1.138 125 L CA 0.277 54.574 54.840 -0.906 0.000 0.832 125 L CB 1.143 42.584 42.059 -1.030 0.000 1.124 125 L HN 0.418 nan 8.230 nan 0.000 0.454 126 V N 1.299 121.096 119.914 -0.195 0.000 3.225 126 V HA 0.488 4.608 4.120 -0.000 0.000 0.293 126 V C -0.684 175.384 176.094 -0.043 0.000 1.405 126 V CA -1.331 60.912 62.300 -0.095 0.000 1.038 126 V CB 1.415 33.188 31.823 -0.083 0.000 1.123 126 V HN 0.695 nan 8.190 nan 0.000 0.447 127 K N 0.819 121.204 120.400 -0.025 0.000 2.297 127 K HA 0.805 5.125 4.320 -0.000 0.000 0.286 127 K C -0.819 175.772 176.600 -0.015 0.000 1.053 127 K CA -0.130 56.152 56.287 -0.008 0.000 0.940 127 K CB 1.529 34.028 32.500 -0.002 0.000 1.019 127 K HN 0.746 nan 8.250 nan 0.000 0.475 128 V N 1.208 121.114 119.914 -0.013 0.000 3.258 128 V HA 0.392 4.512 4.120 -0.000 0.000 0.298 128 V C -1.718 174.361 176.094 -0.025 0.000 1.489 128 V CA -0.621 61.665 62.300 -0.023 0.000 1.062 128 V CB 2.442 34.245 31.823 -0.033 0.000 1.116 128 V HN 0.743 nan 8.190 nan 0.000 0.464 129 S N 1.294 116.973 115.700 -0.034 0.000 2.503 129 S HA 0.645 5.115 4.470 -0.000 0.000 0.301 129 S C -2.102 172.467 174.600 -0.052 0.000 1.087 129 S CA -1.366 56.811 58.200 -0.039 0.000 1.042 129 S CB 1.921 65.101 63.200 -0.033 0.000 1.043 129 S HN 0.627 nan 8.310 nan 0.000 0.489 130 P HA -0.142 nan 4.420 nan 0.000 0.218 130 P C 0.978 178.238 177.300 -0.067 0.000 1.150 130 P CA 1.357 64.415 63.100 -0.070 0.000 0.841 130 P CB 0.084 31.740 31.700 -0.073 0.000 0.784 131 R N -1.085 119.382 120.500 -0.055 0.000 2.152 131 R HA -0.032 4.308 4.340 -0.000 0.000 0.232 131 R C 0.185 176.451 176.300 -0.058 0.000 1.117 131 R CA 0.835 56.904 56.100 -0.051 0.000 0.981 131 R CB -0.629 29.646 30.300 -0.041 0.000 0.870 131 R HN 0.370 nan 8.270 nan 0.000 0.451 132 N N 1.310 119.972 118.700 -0.062 0.000 2.609 132 N HA 0.182 4.922 4.740 -0.000 0.000 0.234 132 N C -0.694 174.762 175.510 -0.090 0.000 1.001 132 N CA -0.042 52.965 53.050 -0.071 0.000 0.926 132 N CB 1.143 39.595 38.487 -0.059 0.000 1.130 132 N HN 0.064 nan 8.380 nan 0.000 0.510 133 I N 2.289 122.790 120.570 -0.115 0.000 2.448 133 I HA 0.158 4.328 4.170 -0.000 0.000 0.284 133 I C -1.605 174.419 176.117 -0.154 0.000 1.135 133 I CA -1.623 59.579 61.300 -0.163 0.000 1.207 133 I CB 0.528 38.370 38.000 -0.263 0.000 1.548 133 I HN 0.093 nan 8.210 nan 0.000 0.543 134 P HA -0.101 nan 4.420 nan 0.000 0.213 134 P C 0.982 178.154 177.300 -0.213 0.000 1.492 134 P CA 0.435 63.434 63.100 -0.167 0.000 1.034 134 P CB 0.059 31.688 31.700 -0.119 0.000 1.816 135 E N 0.715 120.771 120.200 -0.241 0.000 2.435 135 E HA -0.277 4.073 4.350 -0.000 0.000 0.242 135 E C 0.236 176.744 176.600 -0.153 0.000 1.125 135 E CA 1.848 58.122 56.400 -0.211 0.000 1.067 135 E CB -0.123 29.358 29.700 -0.365 0.000 0.903 135 E HN 0.510 nan 8.360 nan 0.000 0.466 136 F N -2.703 117.221 119.950 -0.043 0.000 3.215 136 F HA 0.693 5.220 4.527 0.000 0.000 0.326 136 F C -0.703 175.039 175.800 -0.096 0.000 1.189 136 F CA -1.308 56.636 58.000 -0.092 0.000 0.905 136 F CB 0.886 39.826 39.000 -0.101 0.000 1.485 136 F HN -0.210 nan 8.300 nan 0.000 0.508 137 I N -0.013 120.779 120.570 0.369 0.000 3.181 137 I HA 0.361 4.531 4.170 -0.000 0.000 0.311 137 I C -1.273 174.871 176.117 0.044 0.000 1.287 137 I CA -1.014 60.396 61.300 0.183 0.000 0.958 137 I CB 2.449 40.461 38.000 0.020 0.000 1.294 137 I HN 0.468 nan 8.210 nan 0.000 0.467 138 E N 2.114 122.318 120.200 0.006 0.000 2.207 138 E HA 0.622 4.972 4.350 -0.000 0.000 0.270 138 E C -1.262 175.306 176.600 -0.053 0.000 0.927 138 E CA -0.575 55.789 56.400 -0.061 0.000 0.799 138 E CB 2.745 32.430 29.700 -0.025 0.000 1.172 138 E HN 0.263 nan 8.360 nan 0.000 0.404 139 V N 3.430 123.315 119.914 -0.047 0.000 3.029 139 V HA -0.037 4.083 4.120 -0.000 0.000 0.253 139 V C 0.603 176.767 176.094 0.116 0.000 0.859 139 V CA -0.662 61.671 62.300 0.056 0.000 0.970 139 V CB 1.089 32.991 31.823 0.133 0.000 1.003 139 V HN 0.659 nan 8.190 nan 0.000 0.507 140 D N 2.005 122.442 120.400 0.061 0.000 2.117 140 D HA -0.119 4.521 4.640 -0.000 0.000 0.197 140 D C 1.124 177.468 176.300 0.073 0.000 0.987 140 D CA 1.356 55.390 54.000 0.056 0.000 0.829 140 D CB 0.058 40.871 40.800 0.022 0.000 0.961 140 D HN 0.677 nan 8.370 nan 0.000 0.460 141 V N -0.090 119.863 119.914 0.065 0.000 4.591 141 V HA -0.224 3.896 4.120 -0.000 0.000 0.449 141 V C 0.026 176.133 176.094 0.020 0.000 0.685 141 V CA 1.332 63.657 62.300 0.043 0.000 1.751 141 V CB -0.829 31.024 31.823 0.049 0.000 2.089 141 V HN 0.479 nan 8.190 nan 0.000 0.491 142 S N 2.908 118.614 115.700 0.010 0.000 2.702 142 S HA 0.302 4.772 4.470 -0.000 0.000 0.257 142 S C 1.040 175.640 174.600 -0.000 0.000 0.981 142 S CA 0.225 58.427 58.200 0.003 0.000 1.414 142 S CB 1.222 64.425 63.200 0.004 0.000 1.239 142 S HN 1.329 nan 8.310 nan 0.000 0.676 143 G N 0.644 109.444 108.800 0.001 0.000 2.939 143 G HA2 0.305 4.265 3.960 -0.000 0.000 0.216 143 G HA3 0.305 4.265 3.960 -0.000 0.000 0.216 143 G C 0.112 175.010 174.900 -0.003 0.000 1.125 143 G CA 0.111 45.211 45.100 -0.002 0.000 0.766 143 G HN 0.257 nan 8.290 nan 0.000 0.541 144 L N 1.827 123.048 121.223 -0.003 0.000 2.260 144 L HA 0.437 4.777 4.340 -0.000 0.000 0.289 144 L C 0.393 177.259 176.870 -0.007 0.000 1.057 144 L CA -0.251 54.587 54.840 -0.004 0.000 0.811 144 L CB 1.290 43.347 42.059 -0.003 0.000 1.184 144 L HN 0.085 nan 8.230 nan 0.000 0.429 145 E N 3.185 123.382 120.200 -0.005 0.000 4.145 145 E HA 0.185 4.535 4.350 -0.000 0.000 0.483 145 E C 1.366 177.961 176.600 -0.008 0.000 0.739 145 E CA -0.143 56.253 56.400 -0.007 0.000 2.968 145 E CB 0.544 30.241 29.700 -0.004 0.000 2.129 145 E HN 0.528 nan 8.360 nan 0.000 0.614 146 I N -1.755 118.812 120.570 -0.006 0.000 2.201 146 I HA 0.137 4.307 4.170 -0.000 0.000 0.233 146 I C 2.101 178.218 176.117 0.000 0.000 1.067 146 I CA 1.269 62.566 61.300 -0.006 0.000 1.354 146 I CB -1.306 36.690 38.000 -0.006 0.000 1.108 146 I HN 0.379 nan 8.210 nan 0.000 0.411 147 G N 1.604 110.406 108.800 0.003 0.000 2.479 147 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.220 147 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.220 147 G C 0.543 175.452 174.900 0.016 0.000 1.115 147 G CA 0.646 45.752 45.100 0.009 0.000 0.757 147 G HN 0.478 nan 8.290 nan 0.000 0.560 148 D N -0.753 119.655 120.400 0.014 0.000 2.451 148 D HA 0.502 5.142 4.640 -0.000 0.000 0.259 148 D C -0.180 176.139 176.300 0.032 0.000 1.201 148 D CA 0.174 54.187 54.000 0.021 0.000 1.028 148 D CB 1.523 42.329 40.800 0.009 0.000 1.095 148 D HN 0.071 nan 8.370 nan 0.000 0.539 149 S N 0.277 116.004 115.700 0.044 0.000 2.596 149 S HA 0.285 4.755 4.470 -0.000 0.000 0.305 149 S C -1.338 173.300 174.600 0.063 0.000 1.086 149 S CA -0.956 57.290 58.200 0.077 0.000 0.909 149 S CB 0.265 63.542 63.200 0.129 0.000 1.106 149 S HN 0.406 nan 8.310 nan 0.000 0.450 150 L N 3.933 125.169 121.223 0.022 0.000 2.387 150 L HA 0.928 5.268 4.340 -0.000 0.000 0.266 150 L C 0.397 177.274 176.870 0.011 0.000 1.059 150 L CA -0.014 54.761 54.840 -0.107 0.000 0.801 150 L CB -0.196 41.838 42.059 -0.041 0.000 1.223 150 L HN 1.194 nan 8.230 nan 0.000 0.456 151 H N 0.223 119.329 119.070 0.060 0.000 5.085 151 H HA 0.459 5.015 4.556 -0.000 0.000 0.095 151 H C 1.308 176.675 175.328 0.064 0.000 1.301 151 H CA 0.290 56.383 56.048 0.074 0.000 0.820 151 H CB -0.784 29.023 29.762 0.075 0.000 1.364 151 H HN 0.652 nan 8.280 nan 0.000 0.108 152 A N 1.142 124.225 122.820 0.437 0.000 2.947 152 A HA -0.178 4.142 4.320 -0.000 0.000 0.212 152 A C 1.419 179.067 177.584 0.106 0.000 0.963 152 A CA 2.196 54.388 52.037 0.258 0.000 1.102 152 A CB -1.418 17.742 19.000 0.266 0.000 0.676 152 A HN 0.766 nan 8.150 nan 0.000 0.518 153 S N -0.099 115.635 115.700 0.057 0.000 2.473 153 S HA 0.459 4.929 4.470 -0.000 0.000 0.312 153 S C -0.534 174.066 174.600 -0.000 0.000 1.087 153 S CA 0.205 58.419 58.200 0.025 0.000 1.077 153 S CB -0.273 62.938 63.200 0.018 0.000 1.065 153 S HN 0.422 nan 8.310 nan 0.000 0.510 154 D N 2.810 123.214 120.400 0.005 0.000 2.475 154 D HA 0.249 4.889 4.640 -0.000 0.000 0.306 154 D C -0.814 175.491 176.300 0.008 0.000 1.304 154 D CA -0.101 53.896 54.000 -0.005 0.000 0.862 154 D CB 0.444 41.234 40.800 -0.017 0.000 1.306 154 D HN 0.387 nan 8.370 nan 0.000 0.494 155 L N 0.435 121.664 121.223 0.009 0.000 2.335 155 L HA 0.524 4.864 4.340 -0.000 0.000 0.268 155 L C 0.091 176.962 176.870 0.001 0.000 1.016 155 L CA -0.696 54.146 54.840 0.003 0.000 0.805 155 L CB 0.739 42.794 42.059 -0.006 0.000 1.311 155 L HN -0.309 nan 8.230 nan 0.000 0.456 156 K N 1.300 121.701 120.400 0.002 0.000 2.293 156 K HA 0.500 4.820 4.320 -0.000 0.000 0.267 156 K C -1.213 175.386 176.600 -0.001 0.000 1.010 156 K CA -0.352 55.937 56.287 0.003 0.000 0.875 156 K CB 0.986 33.492 32.500 0.009 0.000 1.106 156 K HN 0.399 nan 8.250 nan 0.000 0.450 157 L N 6.475 127.694 121.223 -0.006 0.000 2.375 157 L HA 0.196 4.536 4.340 -0.000 0.000 0.276 157 L C -1.550 175.312 176.870 -0.014 0.000 1.162 157 L CA -1.713 53.120 54.840 -0.012 0.000 0.991 157 L CB -0.424 41.627 42.059 -0.013 0.000 1.315 157 L HN 0.384 nan 8.230 nan 0.000 0.431 158 P HA 0.075 nan 4.420 nan 0.000 0.271 158 P C -2.524 174.761 177.300 -0.024 0.000 1.233 158 P CA -1.119 61.969 63.100 -0.021 0.000 0.795 158 P CB -0.388 31.293 31.700 -0.031 0.000 0.936 159 P HA 0.126 nan 4.420 nan 0.000 0.259 159 P C 0.764 178.048 177.300 -0.027 0.000 1.211 159 P CA 1.370 64.457 63.100 -0.022 0.000 0.810 159 P CB -0.613 31.075 31.700 -0.021 0.000 0.815 160 G N 1.764 110.549 108.800 -0.025 0.000 2.141 160 G HA2 -0.119 3.841 3.960 -0.000 0.000 0.164 160 G HA3 -0.119 3.841 3.960 -0.000 0.000 0.164 160 G C -0.246 174.636 174.900 -0.031 0.000 1.009 160 G CA -0.512 44.572 45.100 -0.027 0.000 0.677 160 G HN 0.478 nan 8.290 nan 0.000 0.508 161 V N 0.878 120.774 119.914 -0.029 0.000 2.439 161 V HA 0.534 4.654 4.120 -0.000 0.000 0.277 161 V C -0.063 176.015 176.094 -0.027 0.000 1.008 161 V CA -0.556 61.724 62.300 -0.032 0.000 0.846 161 V CB 1.580 33.379 31.823 -0.040 0.000 1.031 161 V HN 0.444 nan 8.190 nan 0.000 0.441 162 E N 3.257 123.443 120.200 -0.024 0.000 2.202 162 E HA 0.619 4.969 4.350 -0.000 0.000 0.272 162 E C -1.116 175.469 176.600 -0.025 0.000 0.951 162 E CA -0.949 55.440 56.400 -0.020 0.000 0.813 162 E CB 1.964 31.657 29.700 -0.012 0.000 1.151 162 E HN 0.475 nan 8.360 nan 0.000 0.398 163 L N 2.779 123.990 121.223 -0.020 0.000 2.380 163 L HA 0.333 4.673 4.340 -0.000 0.000 0.273 163 L C -0.374 176.486 176.870 -0.017 0.000 1.138 163 L CA 0.470 55.296 54.840 -0.023 0.000 0.832 163 L CB 1.169 43.222 42.059 -0.009 0.000 1.124 163 L HN 0.648 nan 8.230 nan 0.000 0.454 164 A N 5.107 127.910 122.820 -0.028 0.000 3.056 164 A HA 0.646 4.966 4.320 -0.000 0.000 0.328 164 A C -0.205 177.380 177.584 0.002 0.000 1.233 164 A CA -0.294 51.734 52.037 -0.014 0.000 0.965 164 A CB -0.082 18.902 19.000 -0.028 0.000 1.123 164 A HN 0.570 nan 8.150 nan 0.000 0.502 165 V N -0.121 119.803 119.914 0.017 0.000 6.461 165 V HA 0.369 4.489 4.120 -0.000 0.000 0.306 165 V C 1.460 177.575 176.094 0.034 0.000 1.676 165 V CA 0.411 62.732 62.300 0.036 0.000 0.678 165 V CB 1.101 32.955 31.823 0.052 0.000 1.523 165 V HN 0.704 nan 8.190 nan 0.000 0.390 166 S N -0.113 115.612 115.700 0.041 0.000 2.931 166 S HA 0.379 4.849 4.470 -0.000 0.000 0.251 166 S C -2.108 172.517 174.600 0.042 0.000 1.078 166 S CA 0.105 58.328 58.200 0.038 0.000 0.835 166 S CB -0.356 62.866 63.200 0.037 0.000 0.798 166 S HN 0.670 nan 8.310 nan 0.000 0.495 167 P HA 0.789 nan 4.420 nan 0.000 0.301 167 P C -1.036 176.328 177.300 0.107 0.000 1.361 167 P CA -0.299 62.848 63.100 0.077 0.000 0.994 167 P CB 2.670 34.418 31.700 0.081 0.000 1.234 168 E N -0.833 119.422 120.200 0.092 0.000 2.646 168 E HA 0.042 4.392 4.350 -0.000 0.000 0.207 168 E C -0.152 176.398 176.600 -0.083 0.000 0.922 168 E CA -0.047 56.384 56.400 0.052 0.000 1.482 168 E CB 0.008 29.709 29.700 0.001 0.000 1.509 168 E HN 0.572 nan 8.360 nan 0.000 0.831 169 E N 1.727 121.938 120.200 0.018 0.000 2.757 169 E HA -0.078 4.272 4.350 -0.000 0.000 0.238 169 E C -0.292 176.330 176.600 0.037 0.000 1.057 169 E CA 0.440 56.860 56.400 0.034 0.000 0.952 169 E CB 0.046 29.839 29.700 0.156 0.000 0.934 169 E HN 0.075 nan 8.360 nan 0.000 0.518 170 T N 3.573 118.050 114.554 -0.129 0.000 4.282 170 T HA -0.002 4.348 4.350 -0.000 0.000 0.231 170 T C 1.544 176.341 174.700 0.161 0.000 1.004 170 T CA 0.204 62.267 62.100 -0.060 0.000 1.146 170 T CB -1.007 67.754 68.868 -0.179 0.000 1.285 170 T HN 0.655 nan 8.240 nan 0.000 0.971 171 I N -0.852 119.875 120.570 0.262 0.000 2.992 171 I HA 0.142 4.312 4.170 -0.000 0.000 0.277 171 I C 0.661 176.934 176.117 0.259 0.000 1.277 171 I CA 0.445 61.914 61.300 0.281 0.000 1.429 171 I CB -0.939 37.208 38.000 0.245 0.000 1.104 171 I HN 0.787 nan 8.210 nan 0.000 0.498 172 A N -0.179 122.749 122.820 0.179 0.000 2.567 172 A HA 0.795 5.115 4.320 -0.000 0.000 0.301 172 A C -1.045 176.567 177.584 0.046 0.000 0.940 172 A CA -0.273 51.805 52.037 0.068 0.000 0.637 172 A CB -0.266 18.726 19.000 -0.013 0.000 1.332 172 A HN 1.184 nan 8.150 nan 0.000 0.427 173 A N -0.369 122.441 122.820 -0.016 0.000 2.536 173 A HA 0.864 5.184 4.320 -0.000 0.000 0.293 173 A C -1.528 176.031 177.584 -0.042 0.000 1.119 173 A CA -0.068 51.967 52.037 -0.004 0.000 0.654 173 A CB 0.751 19.766 19.000 0.026 0.000 1.291 173 A HN 2.035 nan 8.150 nan 0.000 0.439 174 V N 0.480 120.378 119.914 -0.026 0.000 2.604 174 V HA 0.711 4.831 4.120 -0.000 0.000 0.305 174 V C -0.442 175.639 176.094 -0.020 0.000 1.043 174 V CA -0.276 62.003 62.300 -0.035 0.000 0.888 174 V CB 1.535 33.337 31.823 -0.035 0.000 0.995 174 V HN 1.434 nan 8.190 nan 0.000 0.429 175 V N 2.633 122.533 119.914 -0.023 0.000 2.962 175 V HA 0.755 4.875 4.120 -0.000 0.000 0.313 175 V C -2.745 173.340 176.094 -0.014 0.000 1.099 175 V CA -2.593 59.698 62.300 -0.015 0.000 0.971 175 V CB 2.099 33.915 31.823 -0.013 0.000 1.028 175 V HN 0.677 nan 8.190 nan 0.000 0.430 176 P HA 0.259 nan 4.420 nan 0.000 0.269 176 P C -2.262 175.033 177.300 -0.009 0.000 1.209 176 P CA -0.336 62.759 63.100 -0.009 0.000 0.776 176 P CB 0.021 31.717 31.700 -0.006 0.000 0.876 177 P HA 0.180 nan 4.420 nan 0.000 0.339 177 P C -0.082 177.214 177.300 -0.006 0.000 1.376 177 P CA 0.432 63.528 63.100 -0.008 0.000 0.797 177 P CB 0.562 32.258 31.700 -0.007 0.000 1.872 178 E N -1.488 118.710 120.200 -0.005 0.000 2.428 178 E HA 0.617 4.967 4.350 -0.000 0.000 0.259 178 E C -0.329 176.269 176.600 -0.003 0.000 0.930 178 E CA -0.233 56.165 56.400 -0.004 0.000 0.823 178 E CB 0.677 30.375 29.700 -0.003 0.000 1.403 178 E HN 0.711 nan 8.360 nan 0.000 0.415 179 D N 0.000 120.398 120.400 -0.003 0.000 6.856 179 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 179 D CA 0.000 nan 54.000 nan 0.000 0.868 179 D CB 0.000 nan 40.800 nan 0.000 0.688 179 D HN 0.000 nan 8.370 nan 0.000 0.683