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 2fmt_1_B DATA FIRST_RESID 1 DATA SEQUENCE SESLRIIFAG TPDFAARHLD ALLSSGHNVV GVFTQPDRPA GRGKKLMPSP DATA SEQUENCE VKVLAEEKGL PVFQPVSLRP QENQQLVAEL QADVMVVVAY GLILPKAVLE DATA SEQUENCE MPRLGCINVH GSLLPRWRGA APIQRSLWAG DAETGVTIMQ MDVGLDTGDM DATA SEQUENCE LYKLSCPITA EDTSGTLYDK LAELGPQGLI TTLKQLADGT AKPEVQDETL DATA SEQUENCE VTYAEKLSKE EARIDWSLSA AQLERCIRAF NPWPMSWLEI EGQPVKVWKA DATA SEQUENCE SVIDTATNAA PGTILEANKQ GIQVATGDGI LNLLSLQPAG KKAMSAQDLL DATA SEQUENCE NSRREWFVPG NRLV 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 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.587 174.600 -0.022 0.000 1.055 1 S CA 0.000 58.188 58.200 -0.019 0.000 1.107 1 S CB 0.000 63.186 63.200 -0.023 0.000 0.593 2 E N 0.920 121.109 120.200 -0.018 0.000 2.299 2 E HA 0.646 4.996 4.350 -0.000 0.000 0.260 2 E C -0.311 176.280 176.600 -0.016 0.000 0.944 2 E CA -0.977 55.413 56.400 -0.017 0.000 0.815 2 E CB 1.736 31.430 29.700 -0.010 0.000 1.252 2 E HN 0.863 nan 8.360 nan 0.000 0.418 3 S N 2.081 117.772 115.700 -0.015 0.000 2.589 3 S HA 0.052 4.521 4.470 -0.000 0.000 0.306 3 S C 0.375 174.984 174.600 0.015 0.000 1.221 3 S CA -0.326 57.870 58.200 -0.007 0.000 1.159 3 S CB -0.350 62.849 63.200 -0.002 0.000 0.990 3 S HN 0.400 nan 8.310 nan 0.000 0.514 4 L N 4.526 125.769 121.223 0.034 0.000 2.530 4 L HA 0.103 4.443 4.340 -0.000 0.000 0.273 4 L C 1.154 178.051 176.870 0.045 0.000 1.141 4 L CA -0.099 54.766 54.840 0.041 0.000 0.905 4 L CB 0.073 42.171 42.059 0.063 0.000 1.202 4 L HN 0.625 nan 8.230 nan 0.000 0.473 5 R N 5.493 126.009 120.500 0.027 0.000 2.446 5 R HA 0.267 4.607 4.340 -0.000 0.000 0.314 5 R C -0.535 175.779 176.300 0.024 0.000 1.003 5 R CA 0.190 56.306 56.100 0.027 0.000 1.018 5 R CB 0.179 30.488 30.300 0.015 0.000 0.945 5 R HN 0.531 nan 8.270 nan 0.000 0.419 6 I N 4.881 125.475 120.570 0.039 0.000 2.433 6 I HA 0.350 4.520 4.170 -0.000 0.000 0.292 6 I C 0.220 176.360 176.117 0.039 0.000 1.001 6 I CA -0.865 60.455 61.300 0.034 0.000 1.119 6 I CB 1.774 39.805 38.000 0.052 0.000 1.289 6 I HN 0.393 nan 8.210 nan 0.000 0.438 7 I N 5.653 126.216 120.570 -0.012 0.000 2.336 7 I HA 0.292 4.462 4.170 -0.000 0.000 0.292 7 I C -0.753 175.353 176.117 -0.017 0.000 0.991 7 I CA -0.478 60.793 61.300 -0.048 0.000 1.227 7 I CB 1.343 39.199 38.000 -0.240 0.000 1.366 7 I HN 0.382 nan 8.210 nan 0.000 0.466 8 F N 6.111 126.012 119.950 -0.082 0.000 2.436 8 F HA 0.715 5.242 4.527 -0.000 0.000 0.340 8 F C -0.197 175.512 175.800 -0.151 0.000 1.113 8 F CA -0.688 57.251 58.000 -0.100 0.000 1.022 8 F CB 1.443 40.422 39.000 -0.035 0.000 1.128 8 F HN 0.448 nan 8.300 nan 0.000 0.466 9 A N 4.404 126.575 122.820 -1.083 0.000 2.363 9 A HA 0.808 5.128 4.320 -0.000 0.000 0.296 9 A C -0.425 176.464 177.584 -1.159 0.000 1.237 9 A CA 0.100 51.476 52.037 -1.102 0.000 0.773 9 A CB 0.270 18.569 19.000 -1.169 0.000 1.153 9 A HN 1.214 nan 8.150 nan 0.000 0.473 10 G N -0.029 108.365 108.800 -0.677 0.000 2.576 10 G HA2 0.548 4.508 3.960 -0.000 0.000 0.290 10 G HA3 0.548 4.508 3.960 -0.000 0.000 0.290 10 G C -0.176 174.811 174.900 0.145 0.000 1.442 10 G CA 0.349 45.333 45.100 -0.193 0.000 0.792 10 G HN 0.496 nan 8.290 nan 0.000 0.491 11 T N 0.116 114.790 114.554 0.200 0.000 3.321 11 T HA 0.407 4.757 4.350 -0.000 0.000 0.251 11 T C -2.036 172.757 174.700 0.156 0.000 0.999 11 T CA 0.299 62.511 62.100 0.186 0.000 1.186 11 T CB 0.363 69.330 68.868 0.165 0.000 1.163 11 T HN 0.530 nan 8.240 nan 0.000 0.399 12 P HA 0.245 nan 4.420 nan 0.000 0.277 12 P C -0.107 177.310 177.300 0.195 0.000 1.276 12 P CA -0.109 63.082 63.100 0.153 0.000 0.788 12 P CB 0.975 32.771 31.700 0.160 0.000 1.114 13 D N -0.480 120.029 120.400 0.182 0.000 2.133 13 D HA -0.187 4.453 4.640 -0.000 0.000 0.195 13 D C 1.671 178.128 176.300 0.263 0.000 0.997 13 D CA 1.328 55.441 54.000 0.189 0.000 0.840 13 D CB -0.557 40.344 40.800 0.168 0.000 0.947 13 D HN 0.292 nan 8.370 nan 0.000 0.452 14 F N 2.086 122.151 119.950 0.191 0.000 2.147 14 F HA -0.257 4.270 4.527 -0.000 0.000 0.301 14 F C 2.322 178.243 175.800 0.202 0.000 1.084 14 F CA 1.390 59.525 58.000 0.226 0.000 1.268 14 F CB -0.301 38.854 39.000 0.258 0.000 1.009 14 F HN -0.086 nan 8.300 nan 0.000 0.486 15 A N 0.084 123.011 122.820 0.180 0.000 1.872 15 A HA 0.038 4.358 4.320 -0.000 0.000 0.214 15 A C 2.462 180.172 177.584 0.209 0.000 1.187 15 A CA 1.608 53.754 52.037 0.183 0.000 0.614 15 A CB -1.587 17.589 19.000 0.294 0.000 0.826 15 A HN 0.461 nan 8.150 nan 0.000 0.442 16 A N -0.139 122.778 122.820 0.162 0.000 1.958 16 A HA -0.253 4.067 4.320 -0.000 0.000 0.221 16 A C 2.221 179.806 177.584 0.001 0.000 1.178 16 A CA 1.844 53.922 52.037 0.068 0.000 0.642 16 A CB -0.547 18.501 19.000 0.080 0.000 0.816 16 A HN 0.431 nan 8.150 nan 0.000 0.453 17 R N -0.903 119.621 120.500 0.040 0.000 2.080 17 R HA -0.167 4.173 4.340 -0.000 0.000 0.236 17 R C 1.989 178.238 176.300 -0.085 0.000 1.137 17 R CA 2.084 58.176 56.100 -0.014 0.000 0.943 17 R CB -1.154 29.141 30.300 -0.009 0.000 0.846 17 R HN 0.761 nan 8.270 nan 0.000 0.431 18 H N 0.475 119.412 119.070 -0.223 0.000 2.387 18 H HA -0.112 4.444 4.556 -0.000 0.000 0.299 18 H C 1.816 176.881 175.328 -0.440 0.000 1.099 18 H CA 1.420 57.321 56.048 -0.245 0.000 1.315 18 H CB -0.302 29.403 29.762 -0.096 0.000 1.380 18 H HN 0.039 nan 8.280 nan 0.000 0.513 19 L N 0.526 121.408 121.223 -0.569 0.000 1.988 19 L HA -0.126 4.214 4.340 -0.000 0.000 0.207 19 L C 2.151 178.798 176.870 -0.372 0.000 1.071 19 L CA 1.958 56.296 54.840 -0.836 0.000 0.744 19 L CB -0.825 40.721 42.059 -0.854 0.000 0.893 19 L HN 0.269 nan 8.230 nan 0.000 0.433 20 D N -0.399 119.862 120.400 -0.232 0.000 2.149 20 D HA -0.268 4.372 4.640 -0.000 0.000 0.194 20 D C 1.922 178.146 176.300 -0.126 0.000 1.001 20 D CA 1.626 55.546 54.000 -0.133 0.000 0.849 20 D CB 0.196 40.947 40.800 -0.083 0.000 0.939 20 D HN 0.487 nan 8.370 nan 0.000 0.449 21 A N 1.053 123.781 122.820 -0.154 0.000 1.865 21 A HA -0.157 4.163 4.320 -0.000 0.000 0.217 21 A C 2.704 180.221 177.584 -0.111 0.000 1.191 21 A CA 1.329 53.283 52.037 -0.139 0.000 0.623 21 A CB -0.976 17.903 19.000 -0.201 0.000 0.826 21 A HN 0.374 nan 8.150 nan 0.000 0.444 22 L N -0.581 120.540 121.223 -0.171 0.000 2.042 22 L HA -0.237 4.103 4.340 -0.000 0.000 0.210 22 L C 2.656 179.551 176.870 0.042 0.000 1.076 22 L CA 1.325 56.083 54.840 -0.138 0.000 0.749 22 L CB -0.630 41.278 42.059 -0.253 0.000 0.893 22 L HN 0.427 nan 8.230 nan 0.000 0.432 23 L N -1.092 120.110 121.223 -0.035 0.000 1.961 23 L HA -0.205 4.135 4.340 -0.000 0.000 0.210 23 L C 2.709 179.585 176.870 0.010 0.000 1.072 23 L CA 1.452 56.288 54.840 -0.005 0.000 0.749 23 L CB -0.816 41.219 42.059 -0.039 0.000 0.889 23 L HN 0.173 nan 8.230 nan 0.000 0.432 24 S N -0.556 115.137 115.700 -0.011 0.000 2.407 24 S HA -0.231 4.239 4.470 -0.000 0.000 0.235 24 S C 2.079 176.683 174.600 0.007 0.000 1.036 24 S CA 1.751 59.946 58.200 -0.008 0.000 1.013 24 S CB -0.351 62.837 63.200 -0.020 0.000 0.820 24 S HN 0.424 nan 8.310 nan 0.000 0.476 25 S N 0.197 115.925 115.700 0.047 0.000 2.561 25 S HA 0.238 4.708 4.470 -0.000 0.000 0.225 25 S C 1.095 175.692 174.600 -0.006 0.000 0.977 25 S CA 0.745 58.991 58.200 0.077 0.000 0.926 25 S CB -0.604 62.728 63.200 0.220 0.000 0.769 25 S HN 0.849 nan 8.310 nan 0.000 0.533 26 G N 1.469 110.268 108.800 -0.001 0.000 2.401 26 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.283 26 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.283 26 G C -0.435 174.334 174.900 -0.219 0.000 1.117 26 G CA 0.121 45.166 45.100 -0.091 0.000 1.051 26 G HN 0.678 nan 8.290 nan 0.000 0.510 27 H N -0.875 118.176 119.070 -0.032 0.000 2.670 27 H HA 0.625 5.181 4.556 -0.000 0.000 0.361 27 H C 0.188 175.505 175.328 -0.017 0.000 1.169 27 H CA -0.813 55.220 56.048 -0.025 0.000 1.198 27 H CB 1.305 31.049 29.762 -0.029 0.000 1.700 27 H HN 0.178 nan 8.280 nan 0.000 0.542 28 N N 1.219 119.989 118.700 0.117 0.000 2.558 28 N HA 0.140 4.879 4.740 -0.000 0.000 0.233 28 N C -1.476 174.080 175.510 0.076 0.000 1.038 28 N CA -0.270 52.822 53.050 0.069 0.000 0.934 28 N CB 0.361 38.873 38.487 0.041 0.000 1.175 28 N HN 0.283 nan 8.380 nan 0.000 0.512 29 V N 5.021 124.977 119.914 0.070 0.000 2.338 29 V HA 0.017 4.136 4.120 -0.000 0.000 0.255 29 V C 1.771 177.919 176.094 0.091 0.000 1.082 29 V CA -0.358 61.988 62.300 0.077 0.000 0.951 29 V CB 0.398 32.256 31.823 0.058 0.000 1.102 29 V HN 0.610 nan 8.190 nan 0.000 0.489 30 V N 2.691 122.658 119.914 0.089 0.000 2.427 30 V HA 0.277 4.397 4.120 -0.000 0.000 0.248 30 V C 0.925 177.119 176.094 0.166 0.000 1.051 30 V CA 1.544 63.905 62.300 0.101 0.000 1.048 30 V CB -0.574 31.290 31.823 0.069 0.000 0.666 30 V HN 0.780 nan 8.190 nan 0.000 0.456 31 G N -1.187 107.728 108.800 0.192 0.000 2.718 31 G HA2 0.599 4.559 3.960 -0.000 0.000 0.295 31 G HA3 0.599 4.559 3.960 -0.000 0.000 0.295 31 G C -1.743 173.395 174.900 0.396 0.000 1.421 31 G CA -0.263 45.043 45.100 0.343 0.000 0.902 31 G HN 0.304 nan 8.290 nan 0.000 0.501 32 V N 0.571 120.800 119.914 0.525 0.000 2.604 32 V HA 0.688 4.808 4.120 -0.000 0.000 0.305 32 V C -1.242 175.194 176.094 0.570 0.000 1.043 32 V CA -0.731 61.864 62.300 0.491 0.000 0.888 32 V CB 1.591 33.612 31.823 0.331 0.000 0.995 32 V HN 0.566 nan 8.190 nan 0.000 0.429 33 F N 2.600 122.578 119.950 0.047 0.000 2.507 33 F HA 0.731 5.258 4.527 -0.000 0.000 0.328 33 F C 0.587 176.368 175.800 -0.032 0.000 1.136 33 F CA -0.492 57.515 58.000 0.012 0.000 0.930 33 F CB 2.182 41.085 39.000 -0.162 0.000 1.166 33 F HN 0.679 nan 8.300 nan 0.000 0.436 34 T N -0.747 113.990 114.554 0.305 0.000 2.633 34 T HA 0.595 4.945 4.350 -0.000 0.000 0.262 34 T C -0.627 174.299 174.700 0.376 0.000 0.920 34 T CA -0.817 61.495 62.100 0.354 0.000 1.062 34 T CB 1.346 70.335 68.868 0.202 0.000 1.390 34 T HN 0.284 nan 8.240 nan 0.000 0.549 35 Q N 2.042 121.972 119.800 0.217 0.000 2.227 35 Q HA 0.509 4.849 4.340 -0.000 0.000 0.245 35 Q C -2.547 173.491 176.000 0.063 0.000 0.926 35 Q CA -2.385 53.477 55.803 0.098 0.000 0.895 35 Q CB 1.118 29.878 28.738 0.036 0.000 1.230 35 Q HN 0.450 nan 8.270 nan 0.000 0.450 36 P HA -0.009 nan 4.420 nan 0.000 0.268 36 P C -0.963 176.339 177.300 0.004 0.000 1.204 36 P CA -0.123 62.985 63.100 0.013 0.000 0.768 36 P CB 0.592 32.293 31.700 0.002 0.000 0.842 37 D N 2.823 123.224 120.400 0.001 0.000 2.461 37 D HA 0.056 4.696 4.640 -0.000 0.000 0.231 37 D C 0.750 177.044 176.300 -0.010 0.000 1.208 37 D CA 0.883 54.881 54.000 -0.003 0.000 0.879 37 D CB 0.289 41.084 40.800 -0.007 0.000 1.220 37 D HN 0.349 nan 8.370 nan 0.000 0.480 38 R N 0.421 120.913 120.500 -0.013 0.000 2.741 38 R HA 0.316 4.656 4.340 -0.000 0.000 0.276 38 R C -2.893 173.395 176.300 -0.021 0.000 1.028 38 R CA -1.671 54.418 56.100 -0.019 0.000 0.865 38 R CB 1.012 31.297 30.300 -0.025 0.000 1.268 38 R HN 0.237 nan 8.270 nan 0.000 0.475 39 P HA 0.179 nan 4.420 nan 0.000 0.267 39 P C -1.398 175.886 177.300 -0.027 0.000 1.209 39 P CA 0.051 63.138 63.100 -0.021 0.000 0.763 39 P CB 0.780 32.469 31.700 -0.020 0.000 0.816 40 A N 2.930 125.735 122.820 -0.025 0.000 2.500 40 A HA 0.621 4.941 4.320 -0.000 0.000 0.288 40 A C 0.089 177.659 177.584 -0.023 0.000 1.045 40 A CA -0.019 51.999 52.037 -0.032 0.000 0.830 40 A CB 0.351 19.325 19.000 -0.043 0.000 1.337 40 A HN 0.825 nan 8.150 nan 0.000 0.400 41 G N 2.094 110.881 108.800 -0.020 0.000 3.026 41 G HA2 0.267 4.227 3.960 -0.000 0.000 0.252 41 G HA3 0.267 4.227 3.960 -0.000 0.000 0.252 41 G C -0.011 174.889 174.900 -0.001 0.000 1.070 41 G CA 0.460 45.554 45.100 -0.009 0.000 1.183 41 G HN 2.373 nan 8.290 nan 0.000 0.571 42 R N -0.701 119.799 120.500 -0.000 0.000 1.933 42 R HA 0.055 4.395 4.340 -0.000 0.000 0.367 42 R C 1.378 177.679 176.300 0.001 0.000 1.206 42 R CA 2.391 58.492 56.100 0.003 0.000 1.060 42 R CB -1.011 29.294 30.300 0.009 0.000 3.102 42 R HN 2.607 nan 8.270 nan 0.000 0.490 43 G N 2.967 111.766 108.800 -0.001 0.000 2.213 43 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.226 43 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.226 43 G C 0.181 175.078 174.900 -0.005 0.000 0.992 43 G CA 0.223 45.322 45.100 -0.002 0.000 0.632 43 G HN 0.731 nan 8.290 nan 0.000 0.511 44 K N -0.067 120.328 120.400 -0.007 0.000 3.071 44 K HA -0.205 4.115 4.320 -0.000 0.000 0.262 44 K C 0.451 177.045 176.600 -0.010 0.000 0.977 44 K CA 1.313 57.594 56.287 -0.011 0.000 0.721 44 K CB -0.618 31.874 32.500 -0.012 0.000 1.293 44 K HN 0.493 nan 8.250 nan 0.000 0.475 45 K N 0.822 121.217 120.400 -0.008 0.000 2.295 45 K HA 0.106 4.426 4.320 -0.000 0.000 0.270 45 K C 0.412 177.006 176.600 -0.010 0.000 1.011 45 K CA -0.611 55.672 56.287 -0.008 0.000 0.953 45 K CB 0.544 33.042 32.500 -0.005 0.000 0.956 45 K HN 0.074 nan 8.250 nan 0.000 0.477 46 L N 3.932 125.149 121.223 -0.009 0.000 2.456 46 L HA 0.047 4.387 4.340 -0.000 0.000 0.277 46 L C -0.417 176.448 176.870 -0.008 0.000 1.124 46 L CA 0.791 55.625 54.840 -0.010 0.000 0.880 46 L CB 0.047 42.100 42.059 -0.011 0.000 1.192 46 L HN 0.377 nan 8.230 nan 0.000 0.463 47 M N 6.530 126.124 119.600 -0.009 0.000 2.383 47 M HA 0.481 4.961 4.480 -0.000 0.000 0.325 47 M C -2.296 174.003 176.300 -0.002 0.000 1.092 47 M CA -2.547 52.750 55.300 -0.005 0.000 0.961 47 M CB 1.332 33.929 32.600 -0.006 0.000 1.672 47 M HN 0.237 nan 8.290 nan 0.000 0.438 48 P HA 0.155 nan 4.420 nan 0.000 0.276 48 P C -0.248 177.063 177.300 0.020 0.000 1.230 48 P CA -0.261 62.845 63.100 0.011 0.000 0.776 48 P CB 0.421 32.127 31.700 0.011 0.000 0.888 49 S N 3.730 119.448 115.700 0.031 0.000 2.569 49 S HA 0.079 4.549 4.470 -0.000 0.000 0.274 49 S C -1.511 173.122 174.600 0.055 0.000 1.353 49 S CA -0.539 57.687 58.200 0.044 0.000 1.023 49 S CB -0.351 62.889 63.200 0.068 0.000 0.876 49 S HN 0.273 nan 8.310 nan 0.000 0.540 50 P HA -0.111 nan 4.420 nan 0.000 0.216 50 P C 1.549 178.899 177.300 0.084 0.000 1.150 50 P CA 0.757 63.899 63.100 0.071 0.000 0.843 50 P CB -0.125 31.626 31.700 0.085 0.000 0.787 51 V N 0.321 120.305 119.914 0.116 0.000 2.244 51 V HA -0.266 3.854 4.120 -0.000 0.000 0.244 51 V C 2.547 178.708 176.094 0.112 0.000 1.042 51 V CA 1.992 64.379 62.300 0.145 0.000 1.006 51 V CB -1.048 30.911 31.823 0.227 0.000 0.641 51 V HN 0.128 nan 8.190 nan 0.000 0.446 52 K N 0.142 120.603 120.400 0.101 0.000 2.015 52 K HA -0.259 4.061 4.320 -0.000 0.000 0.220 52 K C 2.042 178.670 176.600 0.046 0.000 1.055 52 K CA 2.600 58.929 56.287 0.070 0.000 0.951 52 K CB -0.551 31.979 32.500 0.050 0.000 0.725 52 K HN 0.259 nan 8.250 nan 0.000 0.449 53 V N 1.526 121.463 119.914 0.039 0.000 2.277 53 V HA -0.317 3.803 4.120 -0.000 0.000 0.255 53 V C 2.386 178.494 176.094 0.023 0.000 1.074 53 V CA 2.158 64.474 62.300 0.026 0.000 1.058 53 V CB -0.700 31.139 31.823 0.027 0.000 0.656 53 V HN 0.476 nan 8.190 nan 0.000 0.449 54 L N 0.427 121.668 121.223 0.029 0.000 2.093 54 L HA 0.024 4.364 4.340 -0.000 0.000 0.208 54 L C 2.370 179.247 176.870 0.012 0.000 1.085 54 L CA 2.233 57.082 54.840 0.016 0.000 0.755 54 L CB -1.000 41.065 42.059 0.009 0.000 0.904 54 L HN 0.203 nan 8.230 nan 0.000 0.435 55 A N -0.457 122.380 122.820 0.028 0.000 1.835 55 A HA -0.181 4.139 4.320 -0.000 0.000 0.215 55 A C 2.052 179.647 177.584 0.018 0.000 1.199 55 A CA 1.644 53.701 52.037 0.032 0.000 0.615 55 A CB -0.796 18.242 19.000 0.063 0.000 0.838 55 A HN 0.521 nan 8.150 nan 0.000 0.444 56 E N -0.312 119.895 120.200 0.012 0.000 2.119 56 E HA -0.331 4.019 4.350 -0.000 0.000 0.221 56 E C 1.901 178.501 176.600 -0.000 0.000 1.062 56 E CA 1.851 58.250 56.400 -0.001 0.000 0.894 56 E CB -0.737 28.961 29.700 -0.002 0.000 0.785 56 E HN 0.827 nan 8.360 nan 0.000 0.472 57 E N 0.627 120.829 120.200 0.003 0.000 2.048 57 E HA -0.227 4.123 4.350 -0.000 0.000 0.202 57 E C 1.661 178.261 176.600 0.000 0.000 1.021 57 E CA 1.507 57.908 56.400 0.001 0.000 0.825 57 E CB 0.095 29.796 29.700 0.002 0.000 0.756 57 E HN -0.021 nan 8.360 nan 0.000 0.454 58 K N -0.458 119.943 120.400 0.001 0.000 2.574 58 K HA -0.035 4.285 4.320 -0.000 0.000 0.193 58 K C 0.954 177.557 176.600 0.005 0.000 1.035 58 K CA 0.850 57.138 56.287 0.001 0.000 0.982 58 K CB -0.335 32.164 32.500 -0.002 0.000 0.795 58 K HN 0.428 nan 8.250 nan 0.000 0.491 59 G N 1.714 110.516 108.800 0.004 0.000 2.272 59 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.280 59 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.280 59 G C -0.231 174.677 174.900 0.013 0.000 1.067 59 G CA -0.008 45.094 45.100 0.004 0.000 0.902 59 G HN 0.241 nan 8.290 nan 0.000 0.500 60 L N 0.991 122.227 121.223 0.022 0.000 2.322 60 L HA 0.489 4.829 4.340 -0.000 0.000 0.279 60 L C -1.399 175.498 176.870 0.046 0.000 1.036 60 L CA -2.394 52.475 54.840 0.049 0.000 0.807 60 L CB 1.656 43.756 42.059 0.069 0.000 1.226 60 L HN 0.008 nan 8.230 nan 0.000 0.433 61 P HA 0.042 nan 4.420 nan 0.000 0.266 61 P C -0.733 176.577 177.300 0.017 0.000 1.215 61 P CA -0.011 63.101 63.100 0.019 0.000 0.763 61 P CB 0.811 32.622 31.700 0.185 0.000 0.806 62 V N 5.226 124.986 119.914 -0.257 0.000 2.532 62 V HA 0.411 4.531 4.120 -0.000 0.000 0.295 62 V C -0.017 175.690 176.094 -0.644 0.000 1.041 62 V CA -0.246 61.928 62.300 -0.210 0.000 0.926 62 V CB 0.737 32.483 31.823 -0.129 0.000 0.992 62 V HN 0.329 nan 8.190 nan 0.000 0.457 63 F N 2.333 122.065 119.950 -0.363 0.000 2.539 63 F HA 0.487 5.014 4.527 -0.000 0.000 0.328 63 F C 0.425 175.973 175.800 -0.420 0.000 1.148 63 F CA -0.599 57.047 58.000 -0.590 0.000 0.940 63 F CB 1.871 40.036 39.000 -1.393 0.000 1.194 63 F HN 0.413 nan 8.300 nan 0.000 0.438 64 Q N 3.930 123.668 119.800 -0.104 0.000 2.490 64 Q HA 0.229 4.569 4.340 -0.000 0.000 0.397 64 Q C -2.484 173.535 176.000 0.030 0.000 0.937 64 Q CA -1.746 54.055 55.803 -0.002 0.000 1.108 64 Q CB 0.556 29.288 28.738 -0.010 0.000 1.336 64 Q HN 0.308 nan 8.270 nan 0.000 0.410 65 P HA -0.025 nan 4.420 nan 0.000 0.267 65 P C 0.839 178.186 177.300 0.077 0.000 1.205 65 P CA 0.143 63.297 63.100 0.089 0.000 0.765 65 P CB 1.630 33.429 31.700 0.164 0.000 0.828 66 V N 1.732 121.670 119.914 0.041 0.000 3.078 66 V HA -0.056 4.064 4.120 -0.000 0.000 0.265 66 V C 1.361 177.459 176.094 0.008 0.000 1.122 66 V CA 1.759 64.068 62.300 0.015 0.000 1.141 66 V CB -0.554 31.272 31.823 0.005 0.000 0.735 66 V HN 0.846 nan 8.190 nan 0.000 0.498 67 S N -1.892 113.828 115.700 0.034 0.000 2.611 67 S HA 0.490 4.960 4.470 -0.000 0.000 0.270 67 S C -0.788 173.851 174.600 0.065 0.000 1.131 67 S CA -0.630 57.586 58.200 0.028 0.000 0.826 67 S CB 1.335 64.541 63.200 0.009 0.000 1.095 67 S HN 0.020 nan 8.310 nan 0.000 0.461 68 L N 2.931 124.188 121.223 0.057 0.000 3.014 68 L HA 0.391 4.730 4.340 -0.000 0.000 0.263 68 L C 1.914 178.808 176.870 0.041 0.000 1.207 68 L CA -0.361 54.523 54.840 0.072 0.000 1.017 68 L CB 0.040 42.152 42.059 0.089 0.000 1.360 68 L HN 0.506 nan 8.230 nan 0.000 0.560 69 R N 0.594 121.110 120.500 0.027 0.000 2.100 69 R HA 0.119 4.459 4.340 -0.000 0.000 0.220 69 R C -1.484 174.829 176.300 0.021 0.000 1.091 69 R CA 0.062 56.173 56.100 0.017 0.000 0.986 69 R CB -1.266 29.040 30.300 0.010 0.000 0.888 69 R HN 0.226 nan 8.270 nan 0.000 0.444 70 P HA 0.038 nan 4.420 nan 0.000 0.267 70 P C 0.489 177.809 177.300 0.033 0.000 1.205 70 P CA 0.158 63.275 63.100 0.028 0.000 0.765 70 P CB 0.608 32.327 31.700 0.032 0.000 0.828 71 Q N 2.734 122.550 119.800 0.026 0.000 2.014 71 Q HA -0.257 4.083 4.340 -0.000 0.000 0.207 71 Q C 1.818 177.839 176.000 0.035 0.000 0.993 71 Q CA 1.812 57.631 55.803 0.026 0.000 0.850 71 Q CB -0.675 28.075 28.738 0.020 0.000 0.916 71 Q HN 0.625 nan 8.270 nan 0.000 0.417 72 E N 0.265 120.487 120.200 0.035 0.000 2.108 72 E HA -0.252 4.098 4.350 -0.000 0.000 0.203 72 E C 1.557 178.193 176.600 0.060 0.000 1.022 72 E CA 1.430 57.855 56.400 0.042 0.000 0.823 72 E CB 0.067 29.789 29.700 0.037 0.000 0.744 72 E HN 0.337 nan 8.360 nan 0.000 0.456 73 N N 0.323 119.064 118.700 0.068 0.000 2.135 73 N HA -0.128 4.612 4.740 -0.000 0.000 0.186 73 N C 1.898 177.476 175.510 0.114 0.000 1.027 73 N CA 0.995 54.105 53.050 0.101 0.000 0.849 73 N CB -0.395 38.154 38.487 0.105 0.000 1.002 73 N HN 0.324 nan 8.380 nan 0.000 0.425 74 Q N 0.499 120.348 119.800 0.080 0.000 2.308 74 Q HA -0.194 4.146 4.340 -0.000 0.000 0.209 74 Q C 1.705 177.734 176.000 0.047 0.000 0.985 74 Q CA 1.106 56.944 55.803 0.059 0.000 0.881 74 Q CB -0.034 28.723 28.738 0.032 0.000 0.917 74 Q HN 0.268 nan 8.270 nan 0.000 0.443 75 Q N 0.626 120.458 119.800 0.054 0.000 2.172 75 Q HA -0.040 4.300 4.340 -0.000 0.000 0.200 75 Q C 1.700 177.732 176.000 0.054 0.000 0.964 75 Q CA 0.950 56.780 55.803 0.045 0.000 0.855 75 Q CB -0.037 28.729 28.738 0.046 0.000 0.918 75 Q HN 0.407 nan 8.270 nan 0.000 0.444 76 L N -0.891 120.386 121.223 0.090 0.000 2.187 76 L HA -0.187 4.153 4.340 -0.000 0.000 0.213 76 L C 1.965 178.847 176.870 0.020 0.000 1.100 76 L CA 0.671 55.563 54.840 0.087 0.000 0.765 76 L CB -0.365 41.788 42.059 0.156 0.000 0.904 76 L HN 0.121 nan 8.230 nan 0.000 0.437 77 V N -0.383 119.558 119.914 0.046 0.000 2.256 77 V HA -0.161 3.959 4.120 -0.000 0.000 0.240 77 V C 2.667 178.716 176.094 -0.075 0.000 1.036 77 V CA 1.638 63.894 62.300 -0.073 0.000 1.008 77 V CB -0.856 30.883 31.823 -0.140 0.000 0.648 77 V HN 0.422 nan 8.190 nan 0.000 0.453 78 A N -0.210 122.584 122.820 -0.043 0.000 1.978 78 A HA -0.264 4.055 4.320 -0.000 0.000 0.220 78 A C 2.045 179.619 177.584 -0.017 0.000 1.170 78 A CA 2.037 54.056 52.037 -0.031 0.000 0.636 78 A CB -0.601 18.390 19.000 -0.016 0.000 0.810 78 A HN 0.530 nan 8.150 nan 0.000 0.448 79 E N -0.471 119.727 120.200 -0.003 0.000 2.463 79 E HA -0.040 4.310 4.350 -0.000 0.000 0.201 79 E C 1.307 177.913 176.600 0.011 0.000 1.045 79 E CA 0.589 56.999 56.400 0.015 0.000 0.872 79 E CB -0.274 29.451 29.700 0.042 0.000 0.797 79 E HN 0.674 nan 8.360 nan 0.000 0.538 80 L N -0.429 120.783 121.223 -0.018 0.000 2.693 80 L HA 0.185 4.525 4.340 -0.000 0.000 0.235 80 L C -0.023 176.839 176.870 -0.013 0.000 1.127 80 L CA -0.163 54.667 54.840 -0.015 0.000 0.914 80 L CB 0.004 42.028 42.059 -0.058 0.000 1.193 80 L HN -0.040 nan 8.230 nan 0.000 0.502 81 Q N 1.093 120.882 119.800 -0.018 0.000 2.391 81 Q HA -0.198 4.142 4.340 -0.000 0.000 0.366 81 Q C -0.006 175.984 176.000 -0.017 0.000 1.305 81 Q CA 0.347 56.141 55.803 -0.016 0.000 1.123 81 Q CB -0.763 27.973 28.738 -0.004 0.000 1.259 81 Q HN 0.504 nan 8.270 nan 0.000 0.307 82 A N 1.529 124.329 122.820 -0.033 0.000 2.311 82 A HA 0.374 4.694 4.320 -0.000 0.000 0.334 82 A C 0.445 178.012 177.584 -0.029 0.000 1.139 82 A CA -0.625 51.393 52.037 -0.031 0.000 0.830 82 A CB 0.873 19.841 19.000 -0.053 0.000 1.234 82 A HN 0.481 nan 8.150 nan 0.000 0.483 83 D N -0.777 119.612 120.400 -0.019 0.000 2.271 83 D HA 0.144 4.784 4.640 -0.000 0.000 0.206 83 D C 0.449 176.736 176.300 -0.023 0.000 0.967 83 D CA 1.854 55.844 54.000 -0.015 0.000 0.867 83 D CB 0.498 41.296 40.800 -0.003 0.000 0.960 83 D HN 0.576 nan 8.370 nan 0.000 0.509 84 V N -2.457 117.439 119.914 -0.030 0.000 3.225 84 V HA 0.499 4.619 4.120 -0.000 0.000 0.293 84 V C -1.415 174.642 176.094 -0.061 0.000 1.405 84 V CA -1.139 61.136 62.300 -0.040 0.000 1.038 84 V CB 2.742 34.551 31.823 -0.024 0.000 1.123 84 V HN -0.101 nan 8.190 nan 0.000 0.447 85 M N 3.014 122.562 119.600 -0.088 0.000 2.197 85 M HA 0.743 5.223 4.480 -0.000 0.000 0.301 85 M C -1.790 174.438 176.300 -0.121 0.000 0.987 85 M CA -0.672 54.546 55.300 -0.137 0.000 0.921 85 M CB 1.873 34.347 32.600 -0.210 0.000 1.569 85 M HN 0.731 nan 8.290 nan 0.000 0.431 86 V N 5.822 125.676 119.914 -0.100 0.000 2.350 86 V HA 0.446 4.566 4.120 -0.000 0.000 0.276 86 V C -0.461 175.468 176.094 -0.274 0.000 1.028 86 V CA -0.636 61.621 62.300 -0.071 0.000 0.860 86 V CB 1.373 33.265 31.823 0.115 0.000 0.990 86 V HN 0.647 nan 8.190 nan 0.000 0.453 87 V N 5.831 125.595 119.914 -0.249 0.000 2.459 87 V HA 0.634 4.754 4.120 -0.000 0.000 0.295 87 V C -0.364 175.579 176.094 -0.251 0.000 1.029 87 V CA -0.506 61.583 62.300 -0.353 0.000 0.874 87 V CB 1.950 33.650 31.823 -0.205 0.000 0.985 87 V HN 0.610 nan 8.190 nan 0.000 0.438 88 V N 3.112 122.820 119.914 -0.345 0.000 2.655 88 V HA 0.704 4.824 4.120 -0.000 0.000 0.301 88 V C 0.300 176.375 176.094 -0.031 0.000 1.082 88 V CA -0.384 61.818 62.300 -0.164 0.000 0.899 88 V CB 1.411 33.075 31.823 -0.265 0.000 1.014 88 V HN 1.393 nan 8.190 nan 0.000 0.429 89 A N 3.869 126.756 122.820 0.112 0.000 2.519 89 A HA -0.233 4.087 4.320 -0.000 0.000 0.297 89 A C -0.659 177.034 177.584 0.183 0.000 1.472 89 A CA 0.873 53.014 52.037 0.174 0.000 0.739 89 A CB -1.672 17.488 19.000 0.267 0.000 1.096 89 A HN 1.549 nan 8.150 nan 0.000 0.414 90 Y N 0.351 120.637 120.300 -0.023 0.000 2.328 90 Y HA 0.528 5.078 4.550 -0.000 0.000 0.336 90 Y C 1.183 177.071 175.900 -0.020 0.000 0.960 90 Y CA -0.482 57.594 58.100 -0.039 0.000 1.134 90 Y CB 1.024 39.430 38.460 -0.091 0.000 1.166 90 Y HN 0.427 nan 8.280 nan 0.000 0.464 91 G N 5.373 114.027 108.800 -0.244 0.000 2.511 91 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.216 91 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.216 91 G C 0.525 175.214 174.900 -0.351 0.000 1.218 91 G CA 0.125 45.071 45.100 -0.257 0.000 0.788 91 G HN 0.617 nan 8.290 nan 0.000 0.560 92 L N 0.843 121.680 121.223 -0.642 0.000 2.581 92 L HA 0.032 4.372 4.340 -0.000 0.000 0.299 92 L C 0.362 177.085 176.870 -0.244 0.000 1.261 92 L CA 0.161 54.724 54.840 -0.461 0.000 0.866 92 L CB 0.209 41.924 42.059 -0.573 0.000 1.113 92 L HN 0.154 nan 8.230 nan 0.000 0.514 93 I N 2.755 123.257 120.570 -0.113 0.000 2.566 93 I HA 0.300 4.470 4.170 -0.000 0.000 0.303 93 I C -0.225 175.887 176.117 -0.008 0.000 0.983 93 I CA -0.589 60.683 61.300 -0.046 0.000 1.235 93 I CB 1.427 39.405 38.000 -0.037 0.000 1.386 93 I HN 0.361 nan 8.210 nan 0.000 0.494 94 L N 6.107 127.330 121.223 0.000 0.000 2.276 94 L HA 0.429 4.768 4.340 -0.000 0.000 0.286 94 L C -2.346 174.517 176.870 -0.012 0.000 1.024 94 L CA -1.795 53.046 54.840 0.001 0.000 0.826 94 L CB 0.941 42.993 42.059 -0.010 0.000 1.211 94 L HN 0.234 nan 8.230 nan 0.000 0.422 95 P HA 0.042 nan 4.420 nan 0.000 0.270 95 P C 0.494 177.785 177.300 -0.015 0.000 1.223 95 P CA -0.379 62.716 63.100 -0.008 0.000 0.785 95 P CB 0.911 32.611 31.700 -0.001 0.000 0.923 96 K N 2.089 122.481 120.400 -0.014 0.000 2.044 96 K HA -0.249 4.071 4.320 -0.000 0.000 0.210 96 K C 1.794 178.383 176.600 -0.019 0.000 1.049 96 K CA 1.911 58.188 56.287 -0.017 0.000 0.927 96 K CB -0.720 31.772 32.500 -0.013 0.000 0.713 96 K HN 0.475 nan 8.250 nan 0.000 0.443 97 A N 0.671 123.483 122.820 -0.014 0.000 1.927 97 A HA -0.178 4.142 4.320 -0.000 0.000 0.220 97 A C 2.264 179.834 177.584 -0.024 0.000 1.185 97 A CA 2.073 54.101 52.037 -0.015 0.000 0.639 97 A CB -0.768 18.228 19.000 -0.008 0.000 0.820 97 A HN 0.211 nan 8.150 nan 0.000 0.451 98 V N -0.482 119.415 119.914 -0.028 0.000 2.270 98 V HA -0.215 3.905 4.120 -0.000 0.000 0.245 98 V C 2.429 178.487 176.094 -0.061 0.000 1.043 98 V CA 1.849 64.120 62.300 -0.049 0.000 1.014 98 V CB -0.851 30.942 31.823 -0.050 0.000 0.645 98 V HN 0.491 nan 8.190 nan 0.000 0.447 99 L N 0.228 121.420 121.223 -0.052 0.000 2.197 99 L HA -0.238 4.102 4.340 -0.000 0.000 0.215 99 L C 2.283 179.124 176.870 -0.048 0.000 1.095 99 L CA 1.904 56.712 54.840 -0.054 0.000 0.764 99 L CB -0.925 41.109 42.059 -0.042 0.000 0.897 99 L HN 0.477 nan 8.230 nan 0.000 0.436 100 E N -1.865 118.311 120.200 -0.040 0.000 2.447 100 E HA -0.019 4.331 4.350 -0.000 0.000 0.195 100 E C 2.162 178.740 176.600 -0.036 0.000 1.028 100 E CA 0.114 56.494 56.400 -0.033 0.000 0.876 100 E CB -0.038 29.647 29.700 -0.025 0.000 0.885 100 E HN 0.485 nan 8.360 nan 0.000 0.500 101 M N 1.038 120.611 119.600 -0.045 0.000 2.067 101 M HA -0.036 4.444 4.480 -0.000 0.000 0.260 101 M C -1.293 174.977 176.300 -0.050 0.000 1.069 101 M CA 1.043 56.315 55.300 -0.047 0.000 1.117 101 M CB -1.569 30.996 32.600 -0.057 0.000 1.334 101 M HN -0.104 nan 8.290 nan 0.000 0.407 102 P HA 0.000 nan 4.420 nan 0.000 0.268 102 P C 0.137 177.413 177.300 -0.040 0.000 1.205 102 P CA 0.351 63.416 63.100 -0.059 0.000 0.771 102 P CB 0.407 32.062 31.700 -0.075 0.000 0.858 103 R N 2.755 123.236 120.500 -0.031 0.000 2.127 103 R HA -0.107 4.233 4.340 -0.000 0.000 0.238 103 R C 0.992 177.279 176.300 -0.022 0.000 1.134 103 R CA 1.556 57.642 56.100 -0.022 0.000 0.975 103 R CB -0.378 29.912 30.300 -0.016 0.000 0.865 103 R HN 0.471 nan 8.270 nan 0.000 0.447 104 L N -0.055 121.153 121.223 -0.025 0.000 2.728 104 L HA 0.318 4.658 4.340 -0.000 0.000 0.238 104 L C 0.782 177.635 176.870 -0.028 0.000 1.143 104 L CA 0.074 54.901 54.840 -0.022 0.000 0.937 104 L CB 0.806 42.855 42.059 -0.017 0.000 1.225 104 L HN 0.538 nan 8.230 nan 0.000 0.507 105 G N -0.246 108.532 108.800 -0.038 0.000 2.681 105 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.220 105 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.220 105 G C -0.603 174.263 174.900 -0.057 0.000 1.353 105 G CA -0.507 44.566 45.100 -0.045 0.000 0.872 105 G HN 0.105 nan 8.290 nan 0.000 0.557 106 C N 0.314 119.577 119.300 -0.062 0.000 2.382 106 C HA 0.780 5.240 4.460 -0.000 0.000 0.327 106 C C 0.840 175.796 174.990 -0.057 0.000 1.250 106 C CA 0.038 59.011 59.018 -0.077 0.000 1.707 106 C CB -0.045 27.636 27.740 -0.098 0.000 2.272 106 C HN 0.861 nan 8.230 nan 0.000 0.506 107 I N 1.247 121.785 120.570 -0.054 0.000 2.693 107 I HA 0.638 4.808 4.170 -0.000 0.000 0.303 107 I C -0.754 175.344 176.117 -0.032 0.000 1.025 107 I CA -0.298 60.986 61.300 -0.028 0.000 1.086 107 I CB 1.672 39.668 38.000 -0.007 0.000 1.268 107 I HN 0.630 nan 8.210 nan 0.000 0.440 108 N N 3.655 122.351 118.700 -0.007 0.000 2.238 108 N HA 0.396 5.136 4.740 -0.000 0.000 0.302 108 N C -1.625 173.925 175.510 0.066 0.000 1.072 108 N CA -0.421 52.631 53.050 0.004 0.000 0.792 108 N CB 2.960 41.440 38.487 -0.012 0.000 1.425 108 N HN 0.560 nan 8.380 nan 0.000 0.478 109 V N 4.011 123.974 119.914 0.082 0.000 2.353 109 V HA 0.184 4.304 4.120 -0.000 0.000 0.264 109 V C 0.247 176.473 176.094 0.220 0.000 1.049 109 V CA -0.458 61.932 62.300 0.150 0.000 0.896 109 V CB 0.128 32.023 31.823 0.120 0.000 1.025 109 V HN 0.574 nan 8.190 nan 0.000 0.475 110 H N 3.845 122.974 119.070 0.099 0.000 2.488 110 H HA 0.349 4.905 4.556 -0.000 0.000 0.322 110 H C 0.805 176.187 175.328 0.090 0.000 1.078 110 H CA -0.509 55.589 56.048 0.083 0.000 1.260 110 H CB 1.808 31.605 29.762 0.059 0.000 1.425 110 H HN 0.752 nan 8.280 nan 0.000 0.471 111 G N 3.946 112.588 108.800 -0.264 0.000 3.284 111 G HA2 0.191 4.151 3.960 -0.000 0.000 0.251 111 G HA3 0.191 4.151 3.960 -0.000 0.000 0.251 111 G C -0.506 174.213 174.900 -0.301 0.000 0.913 111 G CA 0.337 45.273 45.100 -0.273 0.000 1.947 111 G HN 0.566 nan 8.290 nan 0.000 0.635 112 S N -0.597 114.996 115.700 -0.179 0.000 2.595 112 S HA 0.397 4.867 4.470 -0.000 0.000 0.270 112 S C -0.852 173.805 174.600 0.095 0.000 1.145 112 S CA -0.980 57.221 58.200 0.002 0.000 0.825 112 S CB 0.921 64.156 63.200 0.058 0.000 1.107 112 S HN 0.136 nan 8.310 nan 0.000 0.461 113 L N 2.627 123.926 121.223 0.126 0.000 2.397 113 L HA 0.354 4.694 4.340 -0.000 0.000 0.263 113 L C 0.177 177.091 176.870 0.074 0.000 1.136 113 L CA -0.668 54.221 54.840 0.082 0.000 1.019 113 L CB -0.176 41.914 42.059 0.052 0.000 1.352 113 L HN 0.540 nan 8.230 nan 0.000 0.420 114 L N 3.545 124.834 121.223 0.109 0.000 2.477 114 L HA -0.024 4.316 4.340 -0.000 0.000 0.289 114 L C -0.657 176.226 176.870 0.021 0.000 1.279 114 L CA -0.754 54.136 54.840 0.084 0.000 0.825 114 L CB -0.044 42.072 42.059 0.094 0.000 1.085 114 L HN 0.373 nan 8.230 nan 0.000 0.548 115 P HA -0.077 nan 4.420 nan 0.000 0.239 115 P C 0.353 177.650 177.300 -0.005 0.000 1.184 115 P CA 0.567 63.667 63.100 -0.001 0.000 0.760 115 P CB 0.096 31.785 31.700 -0.018 0.000 0.884 116 R N -0.158 120.315 120.500 -0.045 0.000 2.590 116 R HA -0.014 4.326 4.340 -0.000 0.000 0.274 116 R C -0.160 176.170 176.300 0.049 0.000 1.061 116 R CA 0.105 56.104 56.100 -0.169 0.000 1.081 116 R CB -0.265 29.845 30.300 -0.316 0.000 0.984 116 R HN 0.091 nan 8.270 nan 0.000 0.448 117 W N 1.772 123.142 121.300 0.116 0.000 4.949 117 W HA -0.263 4.397 4.660 -0.000 0.000 0.380 117 W C -0.306 176.346 176.519 0.222 0.000 1.446 117 W CA -0.177 57.250 57.345 0.138 0.000 0.869 117 W CB -1.057 28.452 29.460 0.081 0.000 2.591 117 W HN 0.534 nan 8.180 nan 0.000 1.398 118 R N 1.012 121.722 120.500 0.349 0.000 2.401 118 R HA 0.527 4.867 4.340 -0.000 0.000 0.299 118 R C 0.856 177.215 176.300 0.098 0.000 1.064 118 R CA 0.724 56.911 56.100 0.145 0.000 1.000 118 R CB 0.891 31.115 30.300 -0.126 0.000 0.973 118 R HN 0.226 nan 8.270 nan 0.000 0.438 119 G N 0.481 109.356 108.800 0.125 0.000 2.491 119 G HA2 0.212 4.172 3.960 -0.000 0.000 0.183 119 G HA3 0.212 4.172 3.960 -0.000 0.000 0.183 119 G C -0.589 174.420 174.900 0.181 0.000 1.221 119 G CA -0.114 45.057 45.100 0.119 0.000 0.996 119 G HN 0.490 nan 8.290 nan 0.000 0.474 120 A N -1.089 121.817 122.820 0.143 0.000 2.192 120 A HA 0.778 5.097 4.320 -0.000 0.000 0.208 120 A C 1.155 178.775 177.584 0.060 0.000 1.220 120 A CA 1.783 53.878 52.037 0.097 0.000 0.900 120 A CB 0.283 19.319 19.000 0.060 0.000 0.937 120 A HN 2.215 nan 8.150 nan 0.000 0.487 121 A N 0.229 123.067 122.820 0.029 0.000 3.216 121 A HA 0.632 4.952 4.320 -0.000 0.000 0.321 121 A C -2.263 175.246 177.584 -0.124 0.000 1.042 121 A CA -0.859 51.160 52.037 -0.031 0.000 0.838 121 A CB 0.417 19.389 19.000 -0.046 0.000 1.136 121 A HN 0.094 nan 8.150 nan 0.000 0.483 122 P HA 0.024 nan 4.420 nan 0.000 0.221 122 P C 1.453 178.563 177.300 -0.317 0.000 1.155 122 P CA 0.429 63.389 63.100 -0.234 0.000 0.812 122 P CB 0.243 31.790 31.700 -0.255 0.000 0.801 123 I N -0.734 119.696 120.570 -0.234 0.000 2.130 123 I HA -0.276 3.894 4.170 -0.000 0.000 0.232 123 I C 2.365 178.421 176.117 -0.101 0.000 1.064 123 I CA 1.547 62.740 61.300 -0.178 0.000 1.338 123 I CB -0.880 36.985 38.000 -0.225 0.000 1.084 123 I HN -0.134 nan 8.210 nan 0.000 0.404 124 Q N 0.493 120.292 119.800 -0.001 0.000 2.029 124 Q HA -0.293 4.047 4.340 -0.000 0.000 0.209 124 Q C 2.271 178.238 176.000 -0.055 0.000 0.999 124 Q CA 1.976 57.795 55.803 0.026 0.000 0.857 124 Q CB -0.428 28.347 28.738 0.062 0.000 0.926 124 Q HN 0.169 nan 8.270 nan 0.000 0.415 125 R N 0.523 120.885 120.500 -0.230 0.000 2.133 125 R HA -0.179 4.161 4.340 -0.000 0.000 0.247 125 R C 2.327 178.304 176.300 -0.539 0.000 1.151 125 R CA 1.858 57.709 56.100 -0.416 0.000 0.971 125 R CB -0.912 28.939 30.300 -0.749 0.000 0.866 125 R HN 0.526 nan 8.270 nan 0.000 0.447 126 S N -0.074 115.226 115.700 -0.665 0.000 2.348 126 S HA -0.174 4.296 4.470 -0.000 0.000 0.221 126 S C 1.926 176.547 174.600 0.036 0.000 1.033 126 S CA 1.313 59.355 58.200 -0.264 0.000 1.010 126 S CB -0.812 62.366 63.200 -0.037 0.000 0.891 126 S HN 0.305 nan 8.310 nan 0.000 0.442 127 L N 0.704 121.937 121.223 0.016 0.000 2.083 127 L HA 0.058 4.398 4.340 -0.000 0.000 0.209 127 L C 2.190 179.095 176.870 0.058 0.000 1.083 127 L CA 1.806 56.673 54.840 0.046 0.000 0.752 127 L CB -1.392 40.691 42.059 0.041 0.000 0.899 127 L HN 0.616 nan 8.230 nan 0.000 0.433 128 W N 0.921 122.147 121.300 -0.124 0.000 2.333 128 W HA -0.204 4.456 4.660 -0.000 0.000 0.316 128 W C 2.185 178.659 176.519 -0.075 0.000 1.215 128 W CA 2.492 59.751 57.345 -0.143 0.000 1.278 128 W CB -0.636 28.750 29.460 -0.123 0.000 1.154 128 W HN 0.230 nan 8.180 nan 0.000 0.486 129 A N 0.126 122.925 122.820 -0.034 0.000 2.239 129 A HA 0.302 4.622 4.320 -0.000 0.000 0.209 129 A C 1.789 179.317 177.584 -0.093 0.000 1.171 129 A CA 1.387 53.307 52.037 -0.194 0.000 0.768 129 A CB -1.394 17.787 19.000 0.301 0.000 0.790 129 A HN 1.153 nan 8.150 nan 0.000 0.478 130 G N -0.470 108.292 108.800 -0.064 0.000 2.143 130 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.249 130 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.249 130 G C -0.209 174.711 174.900 0.033 0.000 0.981 130 G CA 0.198 45.275 45.100 -0.038 0.000 0.665 130 G HN 0.528 nan 8.290 nan 0.000 0.528 131 D N -0.293 120.175 120.400 0.113 0.000 2.515 131 D HA 0.442 5.081 4.640 -0.000 0.000 0.232 131 D C 1.549 177.898 176.300 0.081 0.000 1.157 131 D CA 0.992 55.074 54.000 0.138 0.000 0.871 131 D CB 0.644 41.598 40.800 0.257 0.000 1.200 131 D HN 0.466 nan 8.370 nan 0.000 0.466 132 A N 2.597 125.454 122.820 0.062 0.000 2.016 132 A HA 0.037 4.357 4.320 -0.000 0.000 0.217 132 A C 0.668 178.280 177.584 0.048 0.000 1.162 132 A CA 1.058 53.119 52.037 0.041 0.000 0.662 132 A CB -0.251 18.765 19.000 0.027 0.000 0.812 132 A HN 0.692 nan 8.150 nan 0.000 0.450 133 E N -3.266 116.973 120.200 0.065 0.000 2.459 133 E HA 0.675 5.025 4.350 -0.000 0.000 0.275 133 E C -0.626 176.028 176.600 0.089 0.000 0.987 133 E CA -0.545 55.892 56.400 0.063 0.000 0.828 133 E CB 1.112 30.839 29.700 0.045 0.000 1.428 133 E HN -0.028 nan 8.360 nan 0.000 0.457 134 T N -1.823 112.773 114.554 0.071 0.000 2.649 134 T HA 0.724 5.074 4.350 -0.000 0.000 0.305 134 T C -1.055 173.674 174.700 0.048 0.000 1.409 134 T CA 0.114 62.261 62.100 0.078 0.000 1.021 134 T CB 1.275 70.178 68.868 0.058 0.000 1.726 134 T HN 1.262 nan 8.240 nan 0.000 0.475 135 G N -0.321 108.499 108.800 0.034 0.000 2.343 135 G HA2 0.462 4.422 3.960 -0.000 0.000 0.289 135 G HA3 0.462 4.422 3.960 -0.000 0.000 0.289 135 G C -1.054 173.866 174.900 0.032 0.000 1.295 135 G CA 0.159 45.277 45.100 0.031 0.000 0.869 135 G HN 1.626 nan 8.290 nan 0.000 0.522 136 V N -2.956 116.996 119.914 0.063 0.000 3.093 136 V HA 1.012 5.132 4.120 -0.000 0.000 0.320 136 V C -0.110 176.045 176.094 0.101 0.000 1.093 136 V CA -0.369 61.992 62.300 0.101 0.000 1.016 136 V CB 1.684 33.610 31.823 0.171 0.000 1.096 136 V HN 1.299 nan 8.190 nan 0.000 0.452 137 T N 3.796 118.435 114.554 0.143 0.000 3.237 137 T HA 0.509 4.859 4.350 -0.000 0.000 0.319 137 T C -0.900 173.901 174.700 0.167 0.000 1.037 137 T CA -0.234 61.949 62.100 0.139 0.000 1.048 137 T CB 1.091 70.040 68.868 0.135 0.000 1.081 137 T HN 0.656 nan 8.240 nan 0.000 0.455 138 I N 4.899 125.571 120.570 0.169 0.000 2.352 138 I HA 0.470 4.640 4.170 -0.000 0.000 0.290 138 I C 0.358 176.538 176.117 0.107 0.000 1.036 138 I CA -0.664 60.724 61.300 0.147 0.000 1.336 138 I CB 0.257 38.352 38.000 0.159 0.000 1.407 138 I HN 0.756 nan 8.210 nan 0.000 0.497 139 M N 4.318 123.961 119.600 0.071 0.000 2.518 139 M HA 0.518 4.998 4.480 -0.000 0.000 0.300 139 M C -0.618 175.688 176.300 0.011 0.000 1.175 139 M CA -0.883 54.439 55.300 0.037 0.000 0.890 139 M CB 2.527 35.137 32.600 0.016 0.000 1.710 139 M HN 0.263 nan 8.290 nan 0.000 0.453 140 Q N 3.300 123.102 119.800 0.003 0.000 2.324 140 Q HA 0.346 4.686 4.340 -0.000 0.000 0.257 140 Q C -0.826 175.159 176.000 -0.025 0.000 1.080 140 Q CA 0.353 56.150 55.803 -0.010 0.000 0.907 140 Q CB 0.638 29.372 28.738 -0.007 0.000 1.274 140 Q HN 0.842 nan 8.270 nan 0.000 0.434 141 M N 2.680 122.259 119.600 -0.035 0.000 2.260 141 M HA -0.073 4.407 4.480 -0.000 0.000 0.348 141 M C 0.070 176.345 176.300 -0.042 0.000 1.342 141 M CA 0.818 56.090 55.300 -0.046 0.000 1.040 141 M CB 0.229 32.798 32.600 -0.052 0.000 1.810 141 M HN 0.405 nan 8.290 nan 0.000 0.453 142 D N 0.954 121.327 120.400 -0.045 0.000 2.607 142 D HA 0.566 5.206 4.640 -0.000 0.000 0.253 142 D C -0.795 175.481 176.300 -0.039 0.000 1.171 142 D CA -0.308 53.669 54.000 -0.038 0.000 1.084 142 D CB 0.970 41.748 40.800 -0.035 0.000 1.203 142 D HN 0.416 nan 8.370 nan 0.000 0.629 143 V N -1.957 117.937 119.914 -0.033 0.000 2.644 143 V HA 0.871 4.991 4.120 -0.000 0.000 0.295 143 V C 0.823 176.895 176.094 -0.035 0.000 1.053 143 V CA 0.288 62.570 62.300 -0.030 0.000 0.987 143 V CB 0.456 32.267 31.823 -0.020 0.000 1.006 143 V HN 0.819 nan 8.190 nan 0.000 0.472 144 G N 2.668 111.448 108.800 -0.034 0.000 2.709 144 G HA2 -0.013 3.947 3.960 -0.000 0.000 0.228 144 G HA3 -0.013 3.947 3.960 -0.000 0.000 0.228 144 G C -0.990 173.871 174.900 -0.065 0.000 1.215 144 G CA 0.013 45.090 45.100 -0.038 0.000 1.003 144 G HN 1.700 nan 8.290 nan 0.000 0.584 145 L N 1.160 122.318 121.223 -0.108 0.000 2.406 145 L HA 0.668 5.008 4.340 -0.000 0.000 0.270 145 L C -0.427 176.309 176.870 -0.223 0.000 0.982 145 L CA 0.339 55.078 54.840 -0.170 0.000 0.843 145 L CB 1.376 43.294 42.059 -0.236 0.000 1.225 145 L HN 0.675 nan 8.230 nan 0.000 0.412 146 D N 2.108 122.375 120.400 -0.223 0.000 2.706 146 D HA -0.234 4.406 4.640 -0.000 0.000 0.230 146 D C 1.281 177.465 176.300 -0.193 0.000 1.184 146 D CA 1.428 55.261 54.000 -0.279 0.000 0.628 146 D CB -0.846 39.649 40.800 -0.508 0.000 1.019 146 D HN 0.819 nan 8.370 nan 0.000 0.415 147 T N -4.059 110.415 114.554 -0.134 0.000 3.037 147 T HA 0.268 4.618 4.350 -0.000 0.000 0.251 147 T C 1.258 175.921 174.700 -0.062 0.000 1.079 147 T CA 0.269 62.315 62.100 -0.090 0.000 1.067 147 T CB 0.364 69.190 68.868 -0.070 0.000 0.948 147 T HN 0.333 nan 8.240 nan 0.000 0.496 148 G N 1.465 110.226 108.800 -0.064 0.000 2.630 148 G HA2 0.256 4.216 3.960 -0.000 0.000 0.236 148 G HA3 0.256 4.216 3.960 -0.000 0.000 0.236 148 G C -0.525 174.359 174.900 -0.026 0.000 1.248 148 G CA -0.508 44.567 45.100 -0.041 0.000 0.844 148 G HN 0.386 nan 8.290 nan 0.000 0.588 149 D N 0.938 121.330 120.400 -0.014 0.000 2.455 149 D HA 0.089 4.729 4.640 -0.000 0.000 0.241 149 D C 0.900 177.207 176.300 0.010 0.000 1.138 149 D CA 0.725 54.724 54.000 -0.002 0.000 0.877 149 D CB 0.925 41.726 40.800 0.002 0.000 1.187 149 D HN 0.359 nan 8.370 nan 0.000 0.451 150 M N 1.146 120.757 119.600 0.019 0.000 2.144 150 M HA 0.287 4.767 4.480 -0.000 0.000 0.356 150 M C 0.272 176.604 176.300 0.054 0.000 1.217 150 M CA -0.510 54.813 55.300 0.038 0.000 1.087 150 M CB 1.410 34.032 32.600 0.036 0.000 1.609 150 M HN 0.202 nan 8.290 nan 0.000 0.467 151 L N 1.690 122.962 121.223 0.082 0.000 2.200 151 L HA 0.324 4.664 4.340 -0.000 0.000 0.200 151 L C -0.049 176.950 176.870 0.215 0.000 1.072 151 L CA 0.613 55.523 54.840 0.116 0.000 0.787 151 L CB 0.116 42.234 42.059 0.098 0.000 0.957 151 L HN 0.722 nan 8.230 nan 0.000 0.459 152 Y N 0.153 120.471 120.300 0.029 0.000 2.513 152 Y HA 0.476 5.026 4.550 -0.000 0.000 0.340 152 Y C -1.003 174.922 175.900 0.042 0.000 1.055 152 Y CA -1.409 56.709 58.100 0.032 0.000 1.020 152 Y CB 1.578 40.056 38.460 0.030 0.000 1.301 152 Y HN -0.172 nan 8.280 nan 0.000 0.453 153 K N 4.834 124.991 120.400 -0.405 0.000 2.443 153 K HA 0.823 5.143 4.320 -0.000 0.000 0.251 153 K C -1.867 174.521 176.600 -0.354 0.000 0.972 153 K CA -0.957 55.187 56.287 -0.240 0.000 0.833 153 K CB 2.763 35.180 32.500 -0.139 0.000 1.317 153 K HN 0.585 nan 8.250 nan 0.000 0.441 154 L N 0.711 121.857 121.223 -0.128 0.000 2.526 154 L HA 0.370 4.710 4.340 -0.000 0.000 0.263 154 L C -0.959 175.901 176.870 -0.017 0.000 0.943 154 L CA -0.660 54.135 54.840 -0.074 0.000 0.859 154 L CB 2.238 44.302 42.059 0.008 0.000 1.313 154 L HN 0.612 nan 8.230 nan 0.000 0.406 155 S N 1.266 116.958 115.700 -0.014 0.000 2.638 155 S HA 0.887 5.357 4.470 -0.000 0.000 0.302 155 S C -0.978 173.633 174.600 0.018 0.000 1.096 155 S CA -0.453 57.751 58.200 0.007 0.000 0.953 155 S CB 1.782 64.983 63.200 0.002 0.000 1.107 155 S HN 0.808 nan 8.310 nan 0.000 0.503 156 C N 2.280 121.595 119.300 0.026 0.000 2.985 156 C HA 0.803 5.263 4.460 -0.000 0.000 0.332 156 C C -3.005 172.004 174.990 0.032 0.000 1.164 156 C CA -1.763 57.273 59.018 0.029 0.000 1.347 156 C CB 1.302 29.063 27.740 0.036 0.000 1.764 156 C HN 0.699 nan 8.230 nan 0.000 0.489 157 P HA 0.379 nan 4.420 nan 0.000 0.274 157 P C -0.773 176.548 177.300 0.035 0.000 1.237 157 P CA -0.002 63.117 63.100 0.031 0.000 0.793 157 P CB 0.996 32.711 31.700 0.025 0.000 0.977 158 I N 1.694 122.286 120.570 0.037 0.000 2.312 158 I HA 0.133 4.303 4.170 -0.000 0.000 0.290 158 I C 1.745 177.880 176.117 0.030 0.000 1.008 158 I CA -0.429 60.894 61.300 0.037 0.000 1.226 158 I CB 1.282 39.307 38.000 0.041 0.000 1.371 158 I HN 0.417 nan 8.210 nan 0.000 0.468 159 T N 2.724 117.296 114.554 0.030 0.000 2.750 159 T HA 0.226 4.576 4.350 -0.000 0.000 0.351 159 T C 1.008 175.720 174.700 0.021 0.000 1.082 159 T CA 0.120 62.235 62.100 0.025 0.000 1.022 159 T CB 0.896 69.781 68.868 0.029 0.000 1.249 159 T HN 0.638 nan 8.240 nan 0.000 0.520 160 A N -0.525 122.305 122.820 0.017 0.000 2.390 160 A HA 0.364 4.684 4.320 -0.000 0.000 0.232 160 A C 1.411 179.003 177.584 0.014 0.000 1.233 160 A CA -0.166 51.877 52.037 0.010 0.000 0.907 160 A CB -0.261 18.742 19.000 0.005 0.000 0.967 160 A HN 0.780 nan 8.150 nan 0.000 0.512 161 E N 0.471 120.685 120.200 0.023 0.000 2.511 161 E HA 0.112 4.462 4.350 -0.000 0.000 0.209 161 E C -0.600 176.024 176.600 0.041 0.000 0.986 161 E CA -0.242 56.177 56.400 0.031 0.000 0.974 161 E CB 0.289 30.009 29.700 0.034 0.000 1.030 161 E HN 0.333 nan 8.360 nan 0.000 0.490 162 D N 1.625 122.049 120.400 0.040 0.000 2.414 162 D HA 0.052 4.692 4.640 -0.000 0.000 0.242 162 D C 0.717 177.048 176.300 0.051 0.000 1.129 162 D CA 0.508 54.539 54.000 0.052 0.000 0.885 162 D CB 1.219 42.050 40.800 0.052 0.000 1.198 162 D HN 0.128 nan 8.370 nan 0.000 0.437 163 T N -1.700 112.894 114.554 0.066 0.000 2.849 163 T HA 0.312 4.662 4.350 -0.000 0.000 0.272 163 T C 1.209 175.956 174.700 0.078 0.000 1.046 163 T CA -0.530 61.607 62.100 0.062 0.000 0.983 163 T CB 0.644 69.556 68.868 0.074 0.000 1.721 163 T HN 0.088 nan 8.240 nan 0.000 0.594 164 S N -0.424 115.325 115.700 0.081 0.000 2.470 164 S HA 0.217 4.687 4.470 -0.000 0.000 0.222 164 S C 2.227 176.914 174.600 0.145 0.000 1.024 164 S CA 0.462 58.737 58.200 0.125 0.000 0.931 164 S CB -0.749 62.507 63.200 0.092 0.000 0.791 164 S HN 0.878 nan 8.310 nan 0.000 0.513 165 G N 2.147 110.993 108.800 0.077 0.000 2.422 165 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.218 165 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.218 165 G C 1.630 176.619 174.900 0.148 0.000 1.146 165 G CA 1.735 46.884 45.100 0.081 0.000 0.769 165 G HN 0.616 nan 8.290 nan 0.000 0.547 166 T N -0.500 114.133 114.554 0.133 0.000 2.851 166 T HA 0.115 4.465 4.350 -0.000 0.000 0.262 166 T C 2.431 177.214 174.700 0.139 0.000 1.043 166 T CA 0.671 62.847 62.100 0.126 0.000 1.140 166 T CB -0.331 68.595 68.868 0.097 0.000 0.872 166 T HN 0.147 nan 8.240 nan 0.000 0.446 167 L N -0.729 120.577 121.223 0.137 0.000 2.042 167 L HA -0.103 4.237 4.340 -0.000 0.000 0.210 167 L C 2.750 179.685 176.870 0.108 0.000 1.076 167 L CA 1.749 56.653 54.840 0.107 0.000 0.749 167 L CB -0.679 41.431 42.059 0.087 0.000 0.893 167 L HN 0.194 nan 8.230 nan 0.000 0.432 168 Y N 0.710 121.013 120.300 0.005 0.000 2.097 168 Y HA -0.318 4.232 4.550 -0.000 0.000 0.282 168 Y C 2.593 178.580 175.900 0.145 0.000 1.152 168 Y CA 1.686 59.782 58.100 -0.007 0.000 1.136 168 Y CB -0.483 37.959 38.460 -0.030 0.000 0.975 168 Y HN 0.263 nan 8.280 nan 0.000 0.498 169 D N -0.024 120.547 120.400 0.285 0.000 2.116 169 D HA -0.197 4.443 4.640 -0.000 0.000 0.193 169 D C 2.025 178.430 176.300 0.175 0.000 0.998 169 D CA 1.633 55.767 54.000 0.223 0.000 0.836 169 D CB -0.269 40.630 40.800 0.165 0.000 0.951 169 D HN 0.376 nan 8.370 nan 0.000 0.449 170 K N 0.339 120.821 120.400 0.136 0.000 2.032 170 K HA -0.082 4.238 4.320 -0.000 0.000 0.209 170 K C 2.293 178.963 176.600 0.117 0.000 1.048 170 K CA 0.709 57.059 56.287 0.104 0.000 0.927 170 K CB -0.218 32.329 32.500 0.078 0.000 0.712 170 K HN 0.189 nan 8.250 nan 0.000 0.441 171 L N 0.361 121.666 121.223 0.137 0.000 2.465 171 L HA -0.042 4.298 4.340 -0.000 0.000 0.224 171 L C 2.128 179.194 176.870 0.327 0.000 1.145 171 L CA 0.217 55.175 54.840 0.195 0.000 0.834 171 L CB -0.407 41.728 42.059 0.127 0.000 0.944 171 L HN 0.167 nan 8.230 nan 0.000 0.451 172 A N -0.751 122.268 122.820 0.332 0.000 2.235 172 A HA -0.041 4.279 4.320 -0.000 0.000 0.208 172 A C 1.960 179.565 177.584 0.036 0.000 1.172 172 A CA 0.731 52.897 52.037 0.215 0.000 0.786 172 A CB -0.094 19.067 19.000 0.267 0.000 0.804 172 A HN 0.276 nan 8.150 nan 0.000 0.479 173 E N -0.338 119.893 120.200 0.053 0.000 2.207 173 E HA 0.114 4.464 4.350 -0.000 0.000 0.197 173 E C 2.017 178.614 176.600 -0.005 0.000 0.914 173 E CA 0.371 56.776 56.400 0.008 0.000 0.914 173 E CB -0.491 29.229 29.700 0.034 0.000 0.893 173 E HN 0.567 nan 8.360 nan 0.000 0.479 174 L N 0.961 122.207 121.223 0.039 0.000 1.994 174 L HA -0.088 4.252 4.340 -0.000 0.000 0.208 174 L C 2.459 179.352 176.870 0.039 0.000 1.071 174 L CA 1.498 56.369 54.840 0.053 0.000 0.745 174 L CB -1.390 40.715 42.059 0.076 0.000 0.892 174 L HN 0.176 nan 8.230 nan 0.000 0.431 175 G N 1.477 110.310 108.800 0.053 0.000 2.875 175 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.220 175 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.220 175 G C -0.467 174.326 174.900 -0.178 0.000 1.293 175 G CA 1.495 46.626 45.100 0.052 0.000 0.789 175 G HN 0.306 nan 8.290 nan 0.000 0.677 176 P HA -0.220 nan 4.420 nan 0.000 0.216 176 P C 1.786 178.974 177.300 -0.187 0.000 1.157 176 P CA 2.154 64.963 63.100 -0.485 0.000 0.880 176 P CB -0.274 31.112 31.700 -0.523 0.000 0.791 177 Q N -0.057 119.672 119.800 -0.118 0.000 2.112 177 Q HA -0.156 4.184 4.340 -0.000 0.000 0.206 177 Q C 2.360 178.361 176.000 0.002 0.000 0.987 177 Q CA 2.331 58.112 55.803 -0.037 0.000 0.858 177 Q CB -0.976 27.765 28.738 0.005 0.000 0.905 177 Q HN 0.237 nan 8.270 nan 0.000 0.420 178 G N 0.807 109.651 108.800 0.073 0.000 2.402 178 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.216 178 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.216 178 G C 1.305 176.218 174.900 0.021 0.000 1.162 178 G CA 0.731 45.939 45.100 0.179 0.000 0.777 178 G HN 0.371 nan 8.290 nan 0.000 0.539 179 L N 1.157 122.390 121.223 0.017 0.000 1.955 179 L HA -0.094 4.246 4.340 -0.000 0.000 0.213 179 L C 2.661 179.481 176.870 -0.083 0.000 1.072 179 L CA 1.551 56.387 54.840 -0.007 0.000 0.755 179 L CB -0.626 41.440 42.059 0.012 0.000 0.888 179 L HN 0.124 nan 8.230 nan 0.000 0.432 180 I N -0.391 120.114 120.570 -0.109 0.000 2.068 180 I HA -0.367 3.803 4.170 -0.000 0.000 0.238 180 I C 2.459 178.526 176.117 -0.083 0.000 1.046 180 I CA 2.192 63.437 61.300 -0.093 0.000 1.306 180 I CB -1.988 35.989 38.000 -0.038 0.000 1.023 180 I HN 0.331 nan 8.210 nan 0.000 0.399 181 T N 0.930 115.399 114.554 -0.141 0.000 2.685 181 T HA -0.208 4.142 4.350 -0.000 0.000 0.268 181 T C 1.846 176.377 174.700 -0.282 0.000 1.034 181 T CA 2.376 64.333 62.100 -0.239 0.000 1.149 181 T CB -0.431 68.187 68.868 -0.416 0.000 0.860 181 T HN 0.448 nan 8.240 nan 0.000 0.449 182 T N 2.142 116.526 114.554 -0.284 0.000 2.737 182 T HA 0.091 4.441 4.350 -0.000 0.000 0.265 182 T C 2.026 176.671 174.700 -0.092 0.000 1.038 182 T CA 0.739 62.724 62.100 -0.193 0.000 1.144 182 T CB -0.462 68.348 68.868 -0.097 0.000 0.866 182 T HN 0.248 nan 8.240 nan 0.000 0.434 183 L N 0.886 122.070 121.223 -0.065 0.000 2.043 183 L HA -0.197 4.143 4.340 -0.000 0.000 0.212 183 L C 2.717 179.587 176.870 0.001 0.000 1.075 183 L CA 1.593 56.420 54.840 -0.022 0.000 0.752 183 L CB -0.485 41.562 42.059 -0.021 0.000 0.891 183 L HN 0.270 nan 8.230 nan 0.000 0.432 184 K N -0.112 120.286 120.400 -0.003 0.000 2.057 184 K HA -0.222 4.098 4.320 -0.000 0.000 0.207 184 K C 2.114 178.701 176.600 -0.022 0.000 1.049 184 K CA 1.421 57.706 56.287 -0.003 0.000 0.931 184 K CB -0.034 32.458 32.500 -0.013 0.000 0.714 184 K HN 0.346 nan 8.250 nan 0.000 0.440 185 Q N 0.548 120.321 119.800 -0.046 0.000 2.077 185 Q HA -0.202 4.138 4.340 -0.000 0.000 0.206 185 Q C 2.296 178.285 176.000 -0.019 0.000 0.989 185 Q CA 1.882 57.663 55.803 -0.036 0.000 0.853 185 Q CB -0.290 28.419 28.738 -0.049 0.000 0.907 185 Q HN 0.374 nan 8.270 nan 0.000 0.418 186 L N 0.209 121.422 121.223 -0.018 0.000 2.079 186 L HA -0.212 4.128 4.340 -0.000 0.000 0.210 186 L C 2.547 179.415 176.870 -0.004 0.000 1.081 186 L CA 1.037 55.872 54.840 -0.009 0.000 0.752 186 L CB -0.658 41.397 42.059 -0.008 0.000 0.896 186 L HN 0.231 nan 8.230 nan 0.000 0.433 187 A N -0.321 122.498 122.820 -0.001 0.000 1.898 187 A HA -0.179 4.141 4.320 -0.000 0.000 0.216 187 A C 1.769 179.351 177.584 -0.004 0.000 1.181 187 A CA 1.685 53.723 52.037 0.001 0.000 0.620 187 A CB -0.354 18.651 19.000 0.008 0.000 0.819 187 A HN 0.358 nan 8.150 nan 0.000 0.442 188 D N -1.151 119.245 120.400 -0.006 0.000 2.349 188 D HA 0.219 4.859 4.640 -0.000 0.000 0.224 188 D C 1.451 177.748 176.300 -0.005 0.000 1.029 188 D CA 1.041 55.036 54.000 -0.007 0.000 0.879 188 D CB -0.021 40.773 40.800 -0.010 0.000 0.906 188 D HN 0.597 nan 8.370 nan 0.000 0.528 189 G N 1.120 109.917 108.800 -0.005 0.000 2.189 189 G HA2 -0.365 3.594 3.960 -0.000 0.000 0.267 189 G HA3 -0.365 3.594 3.960 -0.000 0.000 0.267 189 G C 1.226 176.126 174.900 -0.001 0.000 0.975 189 G CA 1.085 46.184 45.100 -0.003 0.000 0.644 189 G HN 0.436 nan 8.290 nan 0.000 0.537 190 T N -1.355 113.198 114.554 -0.002 0.000 3.284 190 T HA 0.590 4.940 4.350 -0.000 0.000 0.252 190 T C 1.188 175.892 174.700 0.007 0.000 1.144 190 T CA 1.169 63.270 62.100 0.002 0.000 1.021 190 T CB 0.238 69.106 68.868 0.000 0.000 0.984 190 T HN 1.661 nan 8.240 nan 0.000 0.545 191 A N 1.722 124.545 122.820 0.005 0.000 2.488 191 A HA 0.408 4.727 4.320 -0.000 0.000 0.249 191 A C 0.317 177.914 177.584 0.022 0.000 1.083 191 A CA -0.392 51.653 52.037 0.013 0.000 0.768 191 A CB 0.109 19.114 19.000 0.009 0.000 1.017 191 A HN 0.575 nan 8.150 nan 0.000 0.496 192 K N 3.704 124.125 120.400 0.036 0.000 2.562 192 K HA 0.341 4.661 4.320 -0.000 0.000 0.206 192 K C -2.814 173.810 176.600 0.039 0.000 1.033 192 K CA -1.313 54.994 56.287 0.035 0.000 1.029 192 K CB 0.930 33.454 32.500 0.039 0.000 1.393 192 K HN 0.470 nan 8.250 nan 0.000 0.539 193 P HA 0.025 nan 4.420 nan 0.000 0.269 193 P C -0.630 176.683 177.300 0.022 0.000 1.209 193 P CA -0.053 63.063 63.100 0.027 0.000 0.776 193 P CB 0.756 32.466 31.700 0.017 0.000 0.876 194 E N 0.031 120.244 120.200 0.021 0.000 2.299 194 E HA 0.477 4.827 4.350 -0.000 0.000 0.265 194 E C -0.991 175.614 176.600 0.008 0.000 0.911 194 E CA -1.062 55.347 56.400 0.014 0.000 0.789 194 E CB 1.818 31.527 29.700 0.015 0.000 1.246 194 E HN 0.084 nan 8.360 nan 0.000 0.427 195 V N 1.250 121.166 119.914 0.003 0.000 2.732 195 V HA 0.245 4.365 4.120 -0.000 0.000 0.310 195 V C -0.251 175.841 176.094 -0.004 0.000 1.053 195 V CA -0.978 61.322 62.300 -0.001 0.000 0.957 195 V CB 1.481 33.303 31.823 -0.002 0.000 1.018 195 V HN 0.620 nan 8.190 nan 0.000 0.452 196 Q N 1.786 121.582 119.800 -0.007 0.000 2.288 196 Q HA 0.180 4.520 4.340 -0.000 0.000 0.258 196 Q C -0.397 175.597 176.000 -0.010 0.000 0.957 196 Q CA -0.304 55.493 55.803 -0.010 0.000 0.919 196 Q CB 0.927 29.656 28.738 -0.016 0.000 1.185 196 Q HN 0.687 nan 8.270 nan 0.000 0.408 197 D N 3.529 123.922 120.400 -0.012 0.000 2.416 197 D HA -0.052 4.587 4.640 -0.000 0.000 0.240 197 D C 0.492 176.784 176.300 -0.013 0.000 1.250 197 D CA 0.118 54.110 54.000 -0.012 0.000 0.967 197 D CB 0.615 41.406 40.800 -0.015 0.000 1.059 197 D HN 0.459 nan 8.370 nan 0.000 0.512 198 E N 1.547 121.742 120.200 -0.009 0.000 2.339 198 E HA -0.197 4.153 4.350 -0.000 0.000 0.201 198 E C 1.776 178.373 176.600 -0.005 0.000 1.015 198 E CA 1.225 57.623 56.400 -0.004 0.000 0.841 198 E CB -0.172 29.529 29.700 0.002 0.000 0.754 198 E HN 0.693 nan 8.360 nan 0.000 0.508 199 T N -1.991 112.556 114.554 -0.011 0.000 2.985 199 T HA -0.004 4.346 4.350 -0.000 0.000 0.266 199 T C 1.792 176.475 174.700 -0.029 0.000 1.076 199 T CA 0.273 62.364 62.100 -0.015 0.000 1.135 199 T CB -0.182 68.677 68.868 -0.015 0.000 0.890 199 T HN 0.097 nan 8.240 nan 0.000 0.480 200 L N 2.025 123.226 121.223 -0.036 0.000 2.645 200 L HA 0.322 4.662 4.340 -0.000 0.000 0.234 200 L C -0.121 176.704 176.870 -0.076 0.000 1.165 200 L CA -0.428 54.376 54.840 -0.061 0.000 0.944 200 L CB 0.048 42.072 42.059 -0.057 0.000 1.149 200 L HN 0.130 nan 8.230 nan 0.000 0.446 201 V N 0.756 120.642 119.914 -0.046 0.000 2.405 201 V HA 0.125 4.245 4.120 -0.000 0.000 0.264 201 V C 0.643 176.722 176.094 -0.024 0.000 1.048 201 V CA -0.119 62.164 62.300 -0.027 0.000 0.966 201 V CB 0.787 32.620 31.823 0.017 0.000 1.015 201 V HN 0.400 nan 8.190 nan 0.000 0.477 202 T N 2.407 116.918 114.554 -0.072 0.000 2.809 202 T HA 0.394 4.744 4.350 -0.000 0.000 0.284 202 T C -0.747 174.067 174.700 0.189 0.000 0.992 202 T CA -0.605 61.454 62.100 -0.068 0.000 0.957 202 T CB 0.897 69.453 68.868 -0.519 0.000 0.942 202 T HN 0.389 nan 8.240 nan 0.000 0.439 203 Y N 4.432 124.821 120.300 0.147 0.000 2.821 203 Y HA 0.569 5.118 4.550 -0.000 0.000 0.331 203 Y C 0.598 176.676 175.900 0.297 0.000 1.251 203 Y CA -2.161 56.060 58.100 0.201 0.000 1.494 203 Y CB -0.807 37.721 38.460 0.113 0.000 1.493 203 Y HN 1.022 nan 8.280 nan 0.000 0.496 204 A N 4.320 127.559 122.820 0.698 0.000 2.573 204 A HA 0.032 4.352 4.320 -0.000 0.000 0.250 204 A C 0.485 178.218 177.584 0.249 0.000 1.049 204 A CA 0.058 52.382 52.037 0.479 0.000 0.767 204 A CB -0.147 19.032 19.000 0.299 0.000 0.965 204 A HN 0.625 nan 8.150 nan 0.000 0.514 205 E N 1.574 121.830 120.200 0.093 0.000 2.345 205 E HA 0.200 4.550 4.350 -0.000 0.000 0.259 205 E C 0.206 176.762 176.600 -0.073 0.000 1.117 205 E CA -0.385 56.017 56.400 0.003 0.000 0.913 205 E CB 0.823 30.481 29.700 -0.070 0.000 1.057 205 E HN 0.673 nan 8.360 nan 0.000 0.432 206 K N 2.030 122.400 120.400 -0.050 0.000 2.262 206 K HA 0.288 4.608 4.320 -0.000 0.000 0.282 206 K C 0.166 176.708 176.600 -0.095 0.000 1.066 206 K CA -0.440 55.817 56.287 -0.051 0.000 0.901 206 K CB 0.263 32.759 32.500 -0.007 0.000 1.089 206 K HN 0.327 nan 8.250 nan 0.000 0.476 207 L N 2.578 123.725 121.223 -0.125 0.000 2.581 207 L HA -0.105 4.235 4.340 -0.000 0.000 0.299 207 L C 0.537 177.323 176.870 -0.139 0.000 1.261 207 L CA 0.577 55.270 54.840 -0.245 0.000 0.866 207 L CB -0.087 41.826 42.059 -0.243 0.000 1.113 207 L HN 0.958 nan 8.230 nan 0.000 0.514 208 S N 0.673 116.163 115.700 -0.351 0.000 2.618 208 S HA 0.308 4.778 4.470 -0.000 0.000 0.277 208 S C 0.087 174.424 174.600 -0.439 0.000 1.138 208 S CA -1.038 57.017 58.200 -0.241 0.000 0.844 208 S CB 2.120 65.239 63.200 -0.135 0.000 1.127 208 S HN 0.648 nan 8.310 nan 0.000 0.474 209 K N 0.197 120.404 120.400 -0.323 0.000 2.432 209 K HA 0.029 4.349 4.320 -0.000 0.000 0.196 209 K C 1.199 177.795 176.600 -0.005 0.000 1.038 209 K CA 0.854 56.979 56.287 -0.271 0.000 0.986 209 K CB -0.034 32.315 32.500 -0.252 0.000 0.782 209 K HN 0.600 nan 8.250 nan 0.000 0.485 210 E N 0.835 121.002 120.200 -0.055 0.000 2.047 210 E HA -0.207 4.143 4.350 -0.000 0.000 0.191 210 E C 1.576 178.147 176.600 -0.049 0.000 0.987 210 E CA 1.154 57.552 56.400 -0.004 0.000 0.799 210 E CB 0.061 29.742 29.700 -0.032 0.000 0.752 210 E HN 0.485 nan 8.360 nan 0.000 0.449 211 E N 0.362 120.475 120.200 -0.146 0.000 2.285 211 E HA -0.022 4.328 4.350 -0.000 0.000 0.194 211 E C 1.873 178.398 176.600 -0.126 0.000 0.997 211 E CA 0.512 56.824 56.400 -0.147 0.000 0.845 211 E CB 0.128 29.672 29.700 -0.259 0.000 0.782 211 E HN 0.161 nan 8.360 nan 0.000 0.491 212 A N 1.608 124.288 122.820 -0.233 0.000 1.841 212 A HA -0.170 4.150 4.320 -0.000 0.000 0.216 212 A C 1.418 178.939 177.584 -0.105 0.000 1.199 212 A CA 0.999 52.974 52.037 -0.104 0.000 0.621 212 A CB -0.548 18.481 19.000 0.048 0.000 0.835 212 A HN 0.189 nan 8.150 nan 0.000 0.445 213 R N 0.595 120.876 120.500 -0.365 0.000 2.505 213 R HA -0.030 4.310 4.340 -0.000 0.000 0.274 213 R C -0.627 175.302 176.300 -0.618 0.000 0.955 213 R CA 0.413 55.879 56.100 -1.057 0.000 1.109 213 R CB -0.821 28.927 30.300 -0.920 0.000 0.890 213 R HN 0.455 nan 8.270 nan 0.000 0.415 214 I N 4.039 124.179 120.570 -0.718 0.000 2.406 214 I HA 0.055 4.225 4.170 -0.000 0.000 0.293 214 I C 0.271 175.883 176.117 -0.841 0.000 1.101 214 I CA -0.044 60.829 61.300 -0.713 0.000 1.334 214 I CB 0.427 37.899 38.000 -0.879 0.000 1.421 214 I HN 0.584 nan 8.210 nan 0.000 0.513 215 D N 5.488 125.544 120.400 -0.573 0.000 2.280 215 D HA 0.166 4.806 4.640 -0.000 0.000 0.243 215 D C 0.432 176.469 176.300 -0.439 0.000 1.129 215 D CA -0.407 53.345 54.000 -0.413 0.000 0.848 215 D CB 0.768 41.462 40.800 -0.177 0.000 1.107 215 D HN 0.332 nan 8.370 nan 0.000 0.471 216 W N 2.171 123.441 121.300 -0.051 0.000 2.519 216 W HA -0.045 4.615 4.660 -0.000 0.000 0.266 216 W C 2.517 179.021 176.519 -0.025 0.000 1.253 216 W CA 0.288 57.612 57.345 -0.035 0.000 1.274 216 W CB -0.417 29.024 29.460 -0.032 0.000 1.114 216 W HN 0.425 nan 8.180 nan 0.000 0.596 217 S N 0.650 116.429 115.700 0.132 0.000 2.440 217 S HA -0.120 4.350 4.470 -0.000 0.000 0.240 217 S C 0.871 175.496 174.600 0.042 0.000 1.014 217 S CA 0.686 58.933 58.200 0.079 0.000 0.980 217 S CB -0.514 62.715 63.200 0.048 0.000 0.775 217 S HN 0.076 nan 8.310 nan 0.000 0.499 218 L N 2.354 123.581 121.223 0.007 0.000 2.418 218 L HA 0.326 4.666 4.340 -0.000 0.000 0.265 218 L C 0.969 177.834 176.870 -0.009 0.000 1.143 218 L CA -0.705 54.123 54.840 -0.020 0.000 0.809 218 L CB 0.833 42.853 42.059 -0.064 0.000 1.124 218 L HN 0.214 nan 8.230 nan 0.000 0.456 219 S N 1.083 116.768 115.700 -0.024 0.000 2.596 219 S HA 0.247 4.717 4.470 -0.000 0.000 0.260 219 S C 1.070 175.654 174.600 -0.026 0.000 1.336 219 S CA -0.155 58.035 58.200 -0.017 0.000 0.993 219 S CB 1.251 64.431 63.200 -0.034 0.000 0.923 219 S HN 0.709 nan 8.310 nan 0.000 0.567 220 A N 1.729 124.545 122.820 -0.007 0.000 1.858 220 A HA 0.151 4.471 4.320 -0.000 0.000 0.216 220 A C 2.481 180.036 177.584 -0.048 0.000 1.190 220 A CA 1.913 53.946 52.037 -0.007 0.000 0.617 220 A CB -1.822 17.185 19.000 0.013 0.000 0.827 220 A HN 1.393 nan 8.150 nan 0.000 0.443 221 A N -1.440 121.346 122.820 -0.057 0.000 1.873 221 A HA -0.272 4.048 4.320 -0.000 0.000 0.218 221 A C 2.165 179.670 177.584 -0.133 0.000 1.193 221 A CA 2.012 53.999 52.037 -0.083 0.000 0.629 221 A CB -0.645 18.308 19.000 -0.078 0.000 0.826 221 A HN 0.476 nan 8.150 nan 0.000 0.447 222 Q N -0.412 119.295 119.800 -0.154 0.000 2.135 222 Q HA -0.125 4.215 4.340 -0.000 0.000 0.204 222 Q C 2.138 178.007 176.000 -0.218 0.000 0.981 222 Q CA 1.465 57.131 55.803 -0.229 0.000 0.856 222 Q CB -0.404 28.210 28.738 -0.207 0.000 0.902 222 Q HN 0.766 nan 8.270 nan 0.000 0.425 223 L N 0.294 121.417 121.223 -0.166 0.000 2.072 223 L HA -0.121 4.219 4.340 -0.000 0.000 0.205 223 L C 2.486 179.251 176.870 -0.176 0.000 1.079 223 L CA 0.912 55.642 54.840 -0.182 0.000 0.752 223 L CB -0.507 41.449 42.059 -0.172 0.000 0.906 223 L HN 0.189 nan 8.230 nan 0.000 0.436 224 E N 1.150 121.272 120.200 -0.130 0.000 2.085 224 E HA -0.234 4.116 4.350 -0.000 0.000 0.194 224 E C 2.255 178.775 176.600 -0.133 0.000 0.994 224 E CA 1.474 57.813 56.400 -0.101 0.000 0.801 224 E CB 0.068 29.726 29.700 -0.070 0.000 0.743 224 E HN 0.437 nan 8.360 nan 0.000 0.453 225 R N -0.188 120.209 120.500 -0.171 0.000 2.066 225 R HA -0.094 4.246 4.340 -0.000 0.000 0.232 225 R C 2.802 178.940 176.300 -0.270 0.000 1.131 225 R CA 1.444 57.431 56.100 -0.188 0.000 0.955 225 R CB -0.846 29.313 30.300 -0.234 0.000 0.851 225 R HN 0.274 nan 8.270 nan 0.000 0.432 226 C N 1.316 120.381 119.300 -0.390 0.000 2.367 226 C HA -0.136 4.324 4.460 -0.000 0.000 0.276 226 C C 2.636 177.240 174.990 -0.643 0.000 1.195 226 C CA 0.713 59.217 59.018 -0.856 0.000 1.756 226 C CB -0.980 26.331 27.740 -0.715 0.000 2.046 226 C HN 0.445 nan 8.230 nan 0.000 0.453 227 I N 0.128 120.507 120.570 -0.319 0.000 2.597 227 I HA -0.261 3.909 4.170 -0.000 0.000 0.262 227 I C 2.667 178.711 176.117 -0.122 0.000 1.194 227 I CA 1.506 62.707 61.300 -0.166 0.000 1.437 227 I CB -0.466 37.476 38.000 -0.097 0.000 1.096 227 I HN 0.446 nan 8.210 nan 0.000 0.451 228 R N -0.117 120.300 120.500 -0.139 0.000 2.140 228 R HA 0.212 4.552 4.340 -0.000 0.000 0.200 228 R C 2.413 178.687 176.300 -0.044 0.000 1.069 228 R CA 0.843 56.906 56.100 -0.062 0.000 1.088 228 R CB -0.246 30.032 30.300 -0.037 0.000 1.012 228 R HN 0.213 nan 8.270 nan 0.000 0.500 229 A N 0.803 123.566 122.820 -0.096 0.000 2.019 229 A HA -0.092 4.228 4.320 -0.000 0.000 0.219 229 A C 1.071 178.779 177.584 0.206 0.000 1.164 229 A CA 1.105 53.154 52.037 0.021 0.000 0.644 229 A CB -0.260 18.764 19.000 0.040 0.000 0.805 229 A HN 0.163 nan 8.150 nan 0.000 0.449 230 F N 0.137 120.052 119.950 -0.059 0.000 2.692 230 F HA 0.225 4.752 4.527 -0.000 0.000 0.303 230 F C 0.706 176.406 175.800 -0.168 0.000 1.114 230 F CA -1.063 56.855 58.000 -0.136 0.000 1.361 230 F CB -0.827 38.067 39.000 -0.177 0.000 1.063 230 F HN 0.209 nan 8.300 nan 0.000 0.550 231 N N 2.552 121.276 118.700 0.041 0.000 2.400 231 N HA 0.180 4.920 4.740 -0.000 0.000 0.288 231 N C -2.099 173.407 175.510 -0.006 0.000 1.024 231 N CA -1.919 51.094 53.050 -0.063 0.000 0.894 231 N CB 2.618 41.058 38.487 -0.079 0.000 1.173 231 N HN -0.123 nan 8.380 nan 0.000 0.487 232 P HA 0.066 nan 4.420 nan 0.000 0.241 232 P C -0.577 176.741 177.300 0.031 0.000 1.191 232 P CA 0.348 63.431 63.100 -0.029 0.000 0.771 232 P CB 0.157 31.876 31.700 0.031 0.000 0.929 233 W N 1.720 122.937 121.300 -0.138 0.000 3.256 233 W HA 0.374 5.033 4.660 -0.000 0.000 0.324 233 W C -2.188 174.246 176.519 -0.143 0.000 1.196 233 W CA -1.955 55.305 57.345 -0.141 0.000 1.206 233 W CB 1.942 31.315 29.460 -0.145 0.000 1.385 233 W HN -0.367 nan 8.180 nan 0.000 0.522 234 P HA 0.034 nan 4.420 nan 0.000 0.240 234 P C -0.463 176.462 177.300 -0.624 0.000 1.190 234 P CA 0.898 63.034 63.100 -1.607 0.000 0.781 234 P CB 0.385 30.994 31.700 -1.820 0.000 0.931 235 M N -1.352 118.037 119.600 -0.350 0.000 4.045 235 M HA -0.097 4.383 4.480 -0.000 0.000 0.157 235 M C -0.485 175.799 176.300 -0.026 0.000 1.532 235 M CA -0.101 55.059 55.300 -0.234 0.000 1.096 235 M CB -2.653 29.719 32.600 -0.380 0.000 1.346 235 M HN -0.143 nan 8.290 nan 0.000 0.193 236 S N 4.504 120.242 115.700 0.063 0.000 2.626 236 S HA 0.262 4.732 4.470 -0.000 0.000 0.303 236 S C -0.058 174.611 174.600 0.115 0.000 1.256 236 S CA 0.212 58.472 58.200 0.101 0.000 1.069 236 S CB 0.131 63.328 63.200 -0.005 0.000 0.807 236 S HN 0.596 nan 8.310 nan 0.000 0.500 237 W N 3.962 125.213 121.300 -0.083 0.000 3.033 237 W HA 0.684 5.344 4.660 -0.000 0.000 0.336 237 W C -1.753 174.754 176.519 -0.019 0.000 1.173 237 W CA -1.622 55.697 57.345 -0.042 0.000 1.185 237 W CB 0.368 29.793 29.460 -0.060 0.000 1.425 237 W HN 0.419 nan 8.180 nan 0.000 0.536 238 L N -0.465 120.805 121.223 0.080 0.000 2.309 238 L HA 0.704 5.044 4.340 -0.000 0.000 0.261 238 L C -0.596 176.376 176.870 0.170 0.000 1.021 238 L CA -1.559 53.255 54.840 -0.043 0.000 0.823 238 L CB 1.713 43.865 42.059 0.155 0.000 1.366 238 L HN 0.594 nan 8.230 nan 0.000 0.423 239 E N 1.484 121.734 120.200 0.084 0.000 2.156 239 E HA 0.544 4.894 4.350 -0.000 0.000 0.279 239 E C -1.468 175.112 176.600 -0.034 0.000 0.965 239 E CA -0.624 55.848 56.400 0.120 0.000 0.789 239 E CB 1.166 30.952 29.700 0.142 0.000 1.098 239 E HN 0.613 nan 8.360 nan 0.000 0.397 240 I N 4.640 125.112 120.570 -0.164 0.000 2.493 240 I HA 0.141 4.311 4.170 -0.000 0.000 0.279 240 I C -0.355 175.469 176.117 -0.489 0.000 1.045 240 I CA -0.164 60.870 61.300 -0.444 0.000 1.106 240 I CB 0.830 38.343 38.000 -0.812 0.000 1.216 240 I HN 0.915 nan 8.210 nan 0.000 0.459 241 E N 3.961 123.962 120.200 -0.332 0.000 2.372 241 E HA -0.207 4.143 4.350 -0.000 0.000 0.254 241 E C 1.125 177.644 176.600 -0.134 0.000 1.102 241 E CA 0.555 56.816 56.400 -0.232 0.000 0.740 241 E CB -1.140 28.392 29.700 -0.280 0.000 1.292 241 E HN 1.122 nan 8.360 nan 0.000 0.394 242 G N 0.330 109.078 108.800 -0.086 0.000 2.196 242 G HA2 -0.432 3.528 3.960 -0.000 0.000 0.268 242 G HA3 -0.432 3.528 3.960 -0.000 0.000 0.268 242 G C 0.184 175.081 174.900 -0.005 0.000 0.975 242 G CA 1.050 46.136 45.100 -0.023 0.000 0.648 242 G HN 0.474 nan 8.290 nan 0.000 0.538 243 Q N 1.275 121.048 119.800 -0.046 0.000 2.235 243 Q HA 0.533 4.873 4.340 -0.000 0.000 0.250 243 Q C -2.458 173.578 176.000 0.060 0.000 0.909 243 Q CA -2.163 53.630 55.803 -0.017 0.000 0.910 243 Q CB 2.119 30.818 28.738 -0.065 0.000 1.223 243 Q HN 0.284 nan 8.270 nan 0.000 0.432 244 P HA 0.131 nan 4.420 nan 0.000 0.285 244 P C -1.128 176.304 177.300 0.220 0.000 1.259 244 P CA -0.289 62.933 63.100 0.202 0.000 0.794 244 P CB 1.278 32.943 31.700 -0.058 0.000 0.940 245 V N 4.611 124.717 119.914 0.319 0.000 2.443 245 V HA 0.255 4.375 4.120 -0.000 0.000 0.293 245 V C 0.463 176.760 176.094 0.339 0.000 1.021 245 V CA -0.714 61.778 62.300 0.320 0.000 0.848 245 V CB 1.624 33.660 31.823 0.357 0.000 0.998 245 V HN 0.440 nan 8.190 nan 0.000 0.424 246 K N 3.311 123.896 120.400 0.309 0.000 2.297 246 K HA 0.468 4.788 4.320 -0.000 0.000 0.286 246 K C -0.615 176.144 176.600 0.266 0.000 1.053 246 K CA -0.378 56.054 56.287 0.242 0.000 0.940 246 K CB 1.671 34.264 32.500 0.155 0.000 1.019 246 K HN 0.444 nan 8.250 nan 0.000 0.475 247 V N 4.581 124.583 119.914 0.147 0.000 2.334 247 V HA 0.051 4.171 4.120 -0.000 0.000 0.267 247 V C 0.185 176.329 176.094 0.084 0.000 1.040 247 V CA -0.370 62.026 62.300 0.160 0.000 0.866 247 V CB 0.209 32.087 31.823 0.093 0.000 1.019 247 V HN 0.854 nan 8.190 nan 0.000 0.468 248 W N 3.281 124.618 121.300 0.061 0.000 2.488 248 W HA 0.199 4.859 4.660 -0.000 0.000 0.304 248 W C 1.181 177.717 176.519 0.028 0.000 1.175 248 W CA 0.335 57.708 57.345 0.047 0.000 1.365 248 W CB 0.373 29.860 29.460 0.046 0.000 1.131 248 W HN 0.312 nan 8.180 nan 0.000 0.520 249 K N 0.002 120.557 120.400 0.260 0.000 2.378 249 K HA 0.658 4.978 4.320 -0.000 0.000 0.252 249 K C -1.456 175.196 176.600 0.086 0.000 0.931 249 K CA -0.737 55.635 56.287 0.141 0.000 0.794 249 K CB 1.778 34.352 32.500 0.124 0.000 1.181 249 K HN -0.165 nan 8.250 nan 0.000 0.425 250 A N 2.377 125.227 122.820 0.050 0.000 2.497 250 A HA 0.356 4.676 4.320 -0.000 0.000 0.280 250 A C -1.019 176.576 177.584 0.018 0.000 1.065 250 A CA -0.632 51.425 52.037 0.033 0.000 0.781 250 A CB 1.544 20.560 19.000 0.028 0.000 1.289 250 A HN 0.584 nan 8.150 nan 0.000 0.415 251 S N 0.945 116.655 115.700 0.018 0.000 2.632 251 S HA 0.627 5.097 4.470 -0.000 0.000 0.267 251 S C -0.118 174.487 174.600 0.009 0.000 1.276 251 S CA -0.231 57.975 58.200 0.010 0.000 0.998 251 S CB 0.854 64.060 63.200 0.010 0.000 0.953 251 S HN 0.988 nan 8.310 nan 0.000 0.547 252 V N 4.268 124.184 119.914 0.003 0.000 2.398 252 V HA 0.428 4.548 4.120 -0.000 0.000 0.286 252 V C -0.237 175.860 176.094 0.006 0.000 1.026 252 V CA -0.524 61.779 62.300 0.004 0.000 0.868 252 V CB 1.198 33.016 31.823 -0.007 0.000 0.982 252 V HN 0.731 nan 8.190 nan 0.000 0.443 253 I N 3.968 124.545 120.570 0.012 0.000 2.304 253 I HA 0.272 4.442 4.170 -0.000 0.000 0.291 253 I C -0.204 175.919 176.117 0.009 0.000 1.018 253 I CA -0.156 61.150 61.300 0.010 0.000 1.260 253 I CB 1.244 39.252 38.000 0.013 0.000 1.390 253 I HN 0.601 nan 8.210 nan 0.000 0.475 254 D N 5.604 126.006 120.400 0.004 0.000 2.557 254 D HA 0.187 4.827 4.640 -0.000 0.000 0.236 254 D C -0.237 176.064 176.300 0.002 0.000 1.154 254 D CA -0.228 53.773 54.000 0.002 0.000 0.985 254 D CB 0.357 41.156 40.800 -0.002 0.000 1.010 254 D HN 0.581 nan 8.370 nan 0.000 0.516 255 T N 0.322 114.879 114.554 0.004 0.000 3.686 255 T HA 0.577 4.927 4.350 -0.000 0.000 0.248 255 T C 0.379 175.082 174.700 0.005 0.000 1.090 255 T CA -0.476 61.626 62.100 0.003 0.000 1.659 255 T CB 0.161 69.030 68.868 0.003 0.000 0.780 255 T HN 0.313 nan 8.240 nan 0.000 0.632 256 A N 1.729 124.552 122.820 0.005 0.000 2.627 256 A HA 0.385 4.705 4.320 -0.000 0.000 0.227 256 A C 0.725 178.313 177.584 0.005 0.000 1.068 256 A CA 0.812 52.853 52.037 0.007 0.000 0.825 256 A CB -0.266 18.737 19.000 0.005 0.000 0.938 256 A HN 1.156 nan 8.150 nan 0.000 0.488 257 T N 0.494 115.051 114.554 0.006 0.000 2.909 257 T HA 0.497 4.847 4.350 -0.000 0.000 0.299 257 T C 0.360 175.061 174.700 0.001 0.000 1.073 257 T CA -0.609 61.492 62.100 0.002 0.000 0.999 257 T CB 0.872 69.740 68.868 -0.000 0.000 1.098 257 T HN 0.584 nan 8.240 nan 0.000 0.477 258 N N 1.950 120.649 118.700 -0.002 0.000 2.362 258 N HA 0.360 5.100 4.740 -0.000 0.000 0.204 258 N C 0.339 175.845 175.510 -0.007 0.000 1.166 258 N CA -0.076 52.972 53.050 -0.003 0.000 0.831 258 N CB 0.255 38.740 38.487 -0.003 0.000 1.008 258 N HN 0.717 nan 8.380 nan 0.000 0.472 259 A N 0.342 123.155 122.820 -0.012 0.000 2.386 259 A HA 0.659 4.979 4.320 -0.000 0.000 0.248 259 A C 0.542 178.111 177.584 -0.025 0.000 1.082 259 A CA -0.556 51.467 52.037 -0.023 0.000 0.789 259 A CB 0.186 19.166 19.000 -0.033 0.000 1.025 259 A HN 0.288 nan 8.150 nan 0.000 0.490 260 A N 2.190 124.988 122.820 -0.037 0.000 2.425 260 A HA 0.561 4.881 4.320 -0.000 0.000 0.249 260 A C -2.418 175.129 177.584 -0.063 0.000 1.084 260 A CA -1.328 50.688 52.037 -0.036 0.000 0.781 260 A CB -0.557 18.419 19.000 -0.041 0.000 1.019 260 A HN 0.586 nan 8.150 nan 0.000 0.490 261 P HA 0.280 nan 4.420 nan 0.000 0.261 261 P C 0.955 178.111 177.300 -0.239 0.000 1.203 261 P CA 1.757 64.853 63.100 -0.006 0.000 0.767 261 P CB 0.605 32.396 31.700 0.152 0.000 0.785 262 G N 1.914 110.315 108.800 -0.664 0.000 2.380 262 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.197 262 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.197 262 G C 0.239 174.696 174.900 -0.738 0.000 1.001 262 G CA -0.411 43.943 45.100 -1.244 0.000 0.668 262 G HN 0.501 nan 8.290 nan 0.000 0.483 263 T N 2.644 116.950 114.554 -0.414 0.000 2.834 263 T HA 0.511 4.861 4.350 -0.000 0.000 0.298 263 T C 0.868 175.449 174.700 -0.198 0.000 0.966 263 T CA 0.175 62.129 62.100 -0.244 0.000 1.141 263 T CB 0.932 69.712 68.868 -0.147 0.000 0.905 263 T HN 0.333 nan 8.240 nan 0.000 0.535 264 I N 4.218 124.712 120.570 -0.127 0.000 2.496 264 I HA 0.130 4.300 4.170 -0.000 0.000 0.285 264 I C 1.125 177.227 176.117 -0.026 0.000 1.080 264 I CA -0.207 61.065 61.300 -0.047 0.000 1.404 264 I CB 0.765 38.786 38.000 0.035 0.000 1.403 264 I HN 0.606 nan 8.210 nan 0.000 0.539 265 L N 3.585 124.801 121.223 -0.012 0.000 2.362 265 L HA 0.291 4.631 4.340 -0.000 0.000 0.204 265 L C 0.491 177.366 176.870 0.007 0.000 1.060 265 L CA 0.516 55.352 54.840 -0.006 0.000 0.827 265 L CB -0.075 41.980 42.059 -0.007 0.000 1.027 265 L HN 0.547 nan 8.230 nan 0.000 0.474 266 E N -0.617 119.591 120.200 0.014 0.000 2.410 266 E HA 0.727 5.077 4.350 -0.000 0.000 0.269 266 E C -1.152 175.464 176.600 0.025 0.000 0.937 266 E CA -0.434 55.975 56.400 0.017 0.000 0.793 266 E CB 2.268 31.973 29.700 0.008 0.000 1.314 266 E HN 0.052 nan 8.360 nan 0.000 0.447 267 A N 2.179 125.013 122.820 0.023 0.000 3.124 267 A HA 0.401 4.721 4.320 -0.000 0.000 0.295 267 A C -1.198 176.391 177.584 0.008 0.000 1.199 267 A CA -0.776 51.275 52.037 0.023 0.000 0.845 267 A CB -0.224 18.823 19.000 0.079 0.000 1.381 267 A HN 0.424 nan 8.150 nan 0.000 0.537 268 N N 0.635 119.330 118.700 -0.008 0.000 2.545 268 N HA 0.313 5.053 4.740 -0.000 0.000 0.289 268 N C 0.823 176.320 175.510 -0.021 0.000 1.279 268 N CA -0.661 52.383 53.050 -0.010 0.000 0.824 268 N CB 1.225 39.708 38.487 -0.006 0.000 1.395 268 N HN 0.481 nan 8.380 nan 0.000 0.526 269 K N 0.253 120.643 120.400 -0.017 0.000 2.152 269 K HA -0.171 4.149 4.320 -0.000 0.000 0.206 269 K C 0.918 177.506 176.600 -0.020 0.000 1.048 269 K CA 1.523 57.798 56.287 -0.020 0.000 0.933 269 K CB 0.151 32.642 32.500 -0.015 0.000 0.721 269 K HN 0.342 nan 8.250 nan 0.000 0.447 270 Q N -0.149 119.642 119.800 -0.015 0.000 2.226 270 Q HA 0.039 4.379 4.340 -0.000 0.000 0.204 270 Q C 0.827 176.818 176.000 -0.015 0.000 0.975 270 Q CA 1.288 57.084 55.803 -0.012 0.000 0.866 270 Q CB 0.048 28.782 28.738 -0.007 0.000 0.915 270 Q HN 0.501 nan 8.270 nan 0.000 0.440 271 G N -0.027 108.758 108.800 -0.024 0.000 2.312 271 G HA2 0.027 3.987 3.960 -0.000 0.000 0.322 271 G HA3 0.027 3.987 3.960 -0.000 0.000 0.322 271 G C -1.074 173.802 174.900 -0.040 0.000 1.645 271 G CA -1.031 44.049 45.100 -0.034 0.000 0.919 271 G HN 0.081 nan 8.290 nan 0.000 0.699 272 I N 2.602 123.125 120.570 -0.079 0.000 2.453 272 I HA 0.051 4.221 4.170 -0.000 0.000 0.300 272 I C 1.073 177.179 176.117 -0.018 0.000 1.159 272 I CA 0.132 61.381 61.300 -0.084 0.000 1.379 272 I CB 0.129 37.975 38.000 -0.256 0.000 1.460 272 I HN 0.397 nan 8.210 nan 0.000 0.601 273 Q N 4.561 124.363 119.800 0.004 0.000 2.352 273 Q HA 0.424 4.764 4.340 -0.000 0.000 0.260 273 Q C -0.674 175.341 176.000 0.025 0.000 0.976 273 Q CA -0.111 55.706 55.803 0.023 0.000 0.881 273 Q CB 1.946 30.693 28.738 0.015 0.000 1.235 273 Q HN 0.427 nan 8.270 nan 0.000 0.419 274 V N 0.865 120.805 119.914 0.044 0.000 2.925 274 V HA 0.603 4.723 4.120 -0.000 0.000 0.311 274 V C -0.751 175.355 176.094 0.020 0.000 1.104 274 V CA -1.040 61.249 62.300 -0.018 0.000 0.954 274 V CB 2.023 33.809 31.823 -0.063 0.000 1.022 274 V HN 0.874 nan 8.190 nan 0.000 0.427 275 A N 2.463 125.248 122.820 -0.057 0.000 2.331 275 A HA 0.806 5.126 4.320 -0.000 0.000 0.283 275 A C 0.411 178.051 177.584 0.093 0.000 1.142 275 A CA 0.212 52.252 52.037 0.006 0.000 0.812 275 A CB 0.609 19.590 19.000 -0.033 0.000 1.074 275 A HN 1.073 nan 8.150 nan 0.000 0.497 276 T N -0.810 113.844 114.554 0.166 0.000 2.768 276 T HA 0.577 4.927 4.350 -0.000 0.000 0.268 276 T C 1.353 176.137 174.700 0.141 0.000 0.969 276 T CA 0.110 62.363 62.100 0.255 0.000 1.008 276 T CB 0.720 69.725 68.868 0.229 0.000 1.371 276 T HN 0.896 nan 8.240 nan 0.000 0.587 277 G N -0.319 108.553 108.800 0.121 0.000 2.498 277 G HA2 0.223 4.183 3.960 -0.000 0.000 0.219 277 G HA3 0.223 4.183 3.960 -0.000 0.000 0.219 277 G C 0.041 174.967 174.900 0.044 0.000 1.119 277 G CA 0.983 46.125 45.100 0.071 0.000 0.766 277 G HN 1.032 nan 8.290 nan 0.000 0.552 278 D N -3.129 117.297 120.400 0.044 0.000 2.734 278 D HA 0.447 5.087 4.640 -0.000 0.000 0.224 278 D C 0.114 176.431 176.300 0.030 0.000 1.222 278 D CA 0.794 54.810 54.000 0.026 0.000 0.761 278 D CB 0.495 41.301 40.800 0.010 0.000 1.569 278 D HN 0.779 nan 8.370 nan 0.000 0.477 279 G N 1.059 109.872 108.800 0.023 0.000 2.953 279 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.421 279 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.421 279 G C -0.467 174.458 174.900 0.042 0.000 1.531 279 G CA -0.017 45.097 45.100 0.023 0.000 0.971 279 G HN 0.700 nan 8.290 nan 0.000 0.558 280 I N 0.355 120.949 120.570 0.039 0.000 2.377 280 I HA 0.451 4.621 4.170 -0.000 0.000 0.293 280 I C 0.285 176.440 176.117 0.064 0.000 0.987 280 I CA -0.928 60.405 61.300 0.054 0.000 1.185 280 I CB 1.585 39.606 38.000 0.034 0.000 1.341 280 I HN 0.541 nan 8.210 nan 0.000 0.455 281 L N 6.014 127.302 121.223 0.107 0.000 2.357 281 L HA 0.395 4.735 4.340 -0.000 0.000 0.273 281 L C -0.258 176.668 176.870 0.093 0.000 1.080 281 L CA 0.053 54.955 54.840 0.102 0.000 0.803 281 L CB 1.076 43.228 42.059 0.155 0.000 1.174 281 L HN 0.584 nan 8.230 nan 0.000 0.443 282 N N 4.053 122.789 118.700 0.059 0.000 2.851 282 N HA 0.299 5.039 4.740 -0.000 0.000 0.248 282 N C -1.310 174.219 175.510 0.031 0.000 1.221 282 N CA -0.424 52.650 53.050 0.040 0.000 0.847 282 N CB 0.018 38.518 38.487 0.022 0.000 1.150 282 N HN 0.594 nan 8.380 nan 0.000 0.507 283 L N 2.876 124.123 121.223 0.039 0.000 2.667 283 L HA -0.041 4.299 4.340 -0.000 0.000 0.278 283 L C 1.000 177.864 176.870 -0.009 0.000 1.217 283 L CA 0.394 55.248 54.840 0.023 0.000 0.935 283 L CB 0.296 42.360 42.059 0.008 0.000 1.193 283 L HN 0.553 nan 8.230 nan 0.000 0.493 284 L N 1.638 122.870 121.223 0.016 0.000 2.577 284 L HA 0.190 4.530 4.340 -0.000 0.000 0.225 284 L C 0.824 177.704 176.870 0.016 0.000 1.053 284 L CA 0.344 55.188 54.840 0.007 0.000 0.866 284 L CB 0.508 42.578 42.059 0.018 0.000 1.132 284 L HN 0.594 nan 8.230 nan 0.000 0.486 285 S N 0.392 116.128 115.700 0.061 0.000 2.672 285 S HA 0.730 5.200 4.470 -0.000 0.000 0.291 285 S C -1.186 173.520 174.600 0.175 0.000 1.145 285 S CA -0.413 57.838 58.200 0.084 0.000 1.013 285 S CB 1.034 64.292 63.200 0.096 0.000 1.017 285 S HN -0.024 nan 8.310 nan 0.000 0.487 286 L N 3.439 124.754 121.223 0.154 0.000 2.371 286 L HA 0.630 4.970 4.340 -0.000 0.000 0.262 286 L C -0.294 176.734 176.870 0.263 0.000 1.006 286 L CA -0.332 54.664 54.840 0.260 0.000 0.818 286 L CB 2.003 44.191 42.059 0.215 0.000 1.354 286 L HN 0.696 nan 8.230 nan 0.000 0.415 287 Q N 2.474 122.505 119.800 0.386 0.000 2.401 287 Q HA 0.477 4.817 4.340 -0.000 0.000 0.260 287 Q C -2.589 173.604 176.000 0.322 0.000 1.034 287 Q CA -1.674 54.327 55.803 0.331 0.000 0.737 287 Q CB 1.946 30.999 28.738 0.526 0.000 1.227 287 Q HN 0.301 nan 8.270 nan 0.000 0.488 288 P HA 0.051 nan 4.420 nan 0.000 0.271 288 P C -0.880 176.575 177.300 0.259 0.000 1.220 288 P CA 0.022 63.335 63.100 0.355 0.000 0.768 288 P CB 0.904 32.813 31.700 0.348 0.000 0.848 289 A N 3.931 126.892 122.820 0.235 0.000 2.600 289 A HA 0.295 4.615 4.320 -0.000 0.000 0.244 289 A C 1.690 179.359 177.584 0.141 0.000 1.016 289 A CA 1.088 53.219 52.037 0.157 0.000 0.778 289 A CB -1.511 17.560 19.000 0.118 0.000 0.920 289 A HN 0.914 nan 8.150 nan 0.000 0.513 290 G N 1.727 110.593 108.800 0.109 0.000 2.225 290 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.254 290 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.254 290 G C 0.416 175.365 174.900 0.082 0.000 0.988 290 G CA 0.857 46.010 45.100 0.087 0.000 0.625 290 G HN 0.824 nan 8.290 nan 0.000 0.527 291 K N 0.256 120.715 120.400 0.099 0.000 2.303 291 K HA 0.642 4.962 4.320 -0.000 0.000 0.233 291 K C 0.664 177.305 176.600 0.067 0.000 1.046 291 K CA -0.613 55.717 56.287 0.072 0.000 0.895 291 K CB 1.011 33.553 32.500 0.071 0.000 1.220 291 K HN 0.289 nan 8.250 nan 0.000 0.470 292 K N 0.303 120.716 120.400 0.022 0.000 2.399 292 K HA 0.505 4.825 4.320 -0.000 0.000 0.247 292 K C -0.013 176.548 176.600 -0.065 0.000 1.036 292 K CA -0.730 55.541 56.287 -0.027 0.000 0.977 292 K CB 0.565 33.026 32.500 -0.065 0.000 1.272 292 K HN 0.628 nan 8.250 nan 0.000 0.501 293 A N 1.220 123.895 122.820 -0.241 0.000 2.351 293 A HA 0.524 4.844 4.320 -0.000 0.000 0.257 293 A C -0.086 177.372 177.584 -0.209 0.000 1.087 293 A CA -0.301 51.527 52.037 -0.349 0.000 0.798 293 A CB -0.061 18.311 19.000 -1.047 0.000 1.033 293 A HN 0.753 nan 8.150 nan 0.000 0.488 294 M N 0.244 119.774 119.600 -0.117 0.000 2.813 294 M HA 0.588 5.067 4.480 -0.000 0.000 0.270 294 M C -0.337 175.935 176.300 -0.047 0.000 1.267 294 M CA -0.612 54.641 55.300 -0.078 0.000 0.822 294 M CB 1.622 34.193 32.600 -0.048 0.000 1.671 294 M HN 0.692 nan 8.290 nan 0.000 0.468 295 S N 0.698 116.371 115.700 -0.045 0.000 2.592 295 S HA 0.598 5.068 4.470 -0.000 0.000 0.271 295 S C 1.070 175.645 174.600 -0.041 0.000 1.326 295 S CA -0.173 58.005 58.200 -0.035 0.000 1.024 295 S CB 1.347 64.526 63.200 -0.035 0.000 0.921 295 S HN 0.982 nan 8.310 nan 0.000 0.527 296 A N 1.202 123.991 122.820 -0.052 0.000 1.948 296 A HA -0.206 4.113 4.320 -0.000 0.000 0.220 296 A C 2.273 179.813 177.584 -0.073 0.000 1.177 296 A CA 1.980 53.961 52.037 -0.092 0.000 0.636 296 A CB -1.156 17.781 19.000 -0.105 0.000 0.815 296 A HN 0.978 nan 8.150 nan 0.000 0.449 297 Q N -0.336 119.434 119.800 -0.050 0.000 1.967 297 Q HA -0.243 4.097 4.340 -0.000 0.000 0.202 297 Q C 1.521 177.496 176.000 -0.041 0.000 0.985 297 Q CA 1.896 57.675 55.803 -0.040 0.000 0.839 297 Q CB -0.318 28.401 28.738 -0.031 0.000 0.906 297 Q HN 0.625 nan 8.270 nan 0.000 0.423 298 D N 0.362 120.737 120.400 -0.041 0.000 2.172 298 D HA -0.199 4.441 4.640 -0.000 0.000 0.196 298 D C 1.954 178.221 176.300 -0.054 0.000 0.999 298 D CA 1.054 55.028 54.000 -0.044 0.000 0.856 298 D CB -0.086 40.688 40.800 -0.043 0.000 0.934 298 D HN 0.231 nan 8.370 nan 0.000 0.453 299 L N 0.771 121.962 121.223 -0.053 0.000 2.023 299 L HA -0.066 4.274 4.340 -0.000 0.000 0.205 299 L C 2.332 179.158 176.870 -0.072 0.000 1.073 299 L CA 1.223 56.026 54.840 -0.063 0.000 0.745 299 L CB -0.598 41.448 42.059 -0.022 0.000 0.900 299 L HN -0.012 nan 8.230 nan 0.000 0.435 300 L N -0.243 120.957 121.223 -0.038 0.000 2.261 300 L HA -0.202 4.138 4.340 -0.000 0.000 0.216 300 L C 1.323 178.174 176.870 -0.032 0.000 1.114 300 L CA 0.866 55.702 54.840 -0.006 0.000 0.777 300 L CB -0.751 41.309 42.059 0.002 0.000 0.910 300 L HN 0.361 nan 8.230 nan 0.000 0.440 301 N N -0.646 118.026 118.700 -0.048 0.000 2.567 301 N HA -0.083 4.657 4.740 -0.000 0.000 0.195 301 N C 1.038 176.507 175.510 -0.069 0.000 1.242 301 N CA 0.873 53.894 53.050 -0.048 0.000 0.884 301 N CB 0.186 38.648 38.487 -0.042 0.000 1.007 301 N HN 0.382 nan 8.380 nan 0.000 0.450 302 S N -2.710 112.925 115.700 -0.108 0.000 2.506 302 S HA 0.228 4.698 4.470 -0.000 0.000 0.255 302 S C 0.440 174.890 174.600 -0.251 0.000 0.976 302 S CA -0.572 57.542 58.200 -0.145 0.000 1.493 302 S CB 0.523 63.638 63.200 -0.143 0.000 1.241 302 S HN -0.024 nan 8.310 nan 0.000 0.655 303 R N 1.142 121.463 120.500 -0.297 0.000 2.688 303 R HA 0.413 4.753 4.340 -0.000 0.000 0.396 303 R C 0.933 177.151 176.300 -0.137 0.000 1.081 303 R CA -0.224 55.557 56.100 -0.532 0.000 1.093 303 R CB -0.022 29.500 30.300 -1.297 0.000 1.338 303 R HN 0.420 nan 8.270 nan 0.000 0.613 304 R N 1.779 122.262 120.500 -0.029 0.000 2.127 304 R HA -0.135 4.205 4.340 -0.000 0.000 0.238 304 R C 1.638 178.018 176.300 0.132 0.000 1.134 304 R CA 1.944 58.092 56.100 0.080 0.000 0.975 304 R CB 0.349 30.672 30.300 0.038 0.000 0.865 304 R HN 0.230 nan 8.270 nan 0.000 0.447 305 E N -0.567 119.694 120.200 0.101 0.000 2.268 305 E HA -0.213 4.137 4.350 -0.000 0.000 0.195 305 E C 1.217 177.942 176.600 0.208 0.000 0.995 305 E CA 0.792 57.274 56.400 0.137 0.000 0.836 305 E CB -0.421 29.360 29.700 0.134 0.000 0.763 305 E HN 0.419 nan 8.360 nan 0.000 0.491 306 W N 0.538 121.774 121.300 -0.106 0.000 2.467 306 W HA 0.082 4.742 4.660 -0.000 0.000 0.275 306 W C 0.586 176.639 176.519 -0.777 0.000 1.239 306 W CA 0.384 57.463 57.345 -0.443 0.000 1.266 306 W CB -0.309 28.851 29.460 -0.499 0.000 1.112 306 W HN -0.030 nan 8.180 nan 0.000 0.576 307 F N -0.164 119.924 119.950 0.230 0.000 2.577 307 F HA 0.245 4.772 4.527 -0.000 0.000 0.342 307 F C 0.051 175.889 175.800 0.064 0.000 1.479 307 F CA -1.306 56.766 58.000 0.121 0.000 1.110 307 F CB -0.344 38.728 39.000 0.120 0.000 1.306 307 F HN -0.406 nan 8.300 nan 0.000 0.554 308 V N -0.536 119.459 119.914 0.136 0.000 2.488 308 V HA 0.545 4.664 4.120 -0.000 0.000 0.277 308 V C -2.470 173.659 176.094 0.058 0.000 1.046 308 V CA -2.551 59.801 62.300 0.088 0.000 0.986 308 V CB 0.747 32.602 31.823 0.053 0.000 0.989 308 V HN 0.084 nan 8.190 nan 0.000 0.475 309 P HA 0.276 nan 4.420 nan 0.000 0.266 309 P C 1.152 178.454 177.300 0.003 0.000 1.193 309 P CA 1.858 64.972 63.100 0.025 0.000 0.770 309 P CB 0.760 32.474 31.700 0.022 0.000 0.836 310 G N 1.460 110.251 108.800 -0.014 0.000 2.336 310 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.233 310 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.233 310 G C 0.516 175.393 174.900 -0.039 0.000 1.053 310 G CA -0.092 44.993 45.100 -0.024 0.000 0.625 310 G HN 0.550 nan 8.290 nan 0.000 0.511 311 N N 0.384 119.062 118.700 -0.037 0.000 2.354 311 N HA 0.595 5.335 4.740 -0.000 0.000 0.246 311 N C 0.393 175.847 175.510 -0.095 0.000 1.285 311 N CA 0.193 53.208 53.050 -0.058 0.000 0.925 311 N CB 0.449 38.905 38.487 -0.052 0.000 1.174 311 N HN 0.643 nan 8.380 nan 0.000 0.478 312 R N 0.363 120.791 120.500 -0.120 0.000 2.795 312 R HA 0.522 4.862 4.340 -0.000 0.000 0.275 312 R C -1.441 174.734 176.300 -0.207 0.000 0.981 312 R CA -0.637 55.353 56.100 -0.183 0.000 0.917 312 R CB 0.896 31.098 30.300 -0.163 0.000 1.202 312 R HN 0.433 nan 8.270 nan 0.000 0.469 313 L N 3.505 124.533 121.223 -0.326 0.000 2.317 313 L HA 0.453 4.793 4.340 -0.000 0.000 0.281 313 L C 0.293 177.056 176.870 -0.180 0.000 1.024 313 L CA -1.128 53.558 54.840 -0.257 0.000 0.810 313 L CB 1.798 43.683 42.059 -0.291 0.000 1.240 313 L HN 0.404 nan 8.230 nan 0.000 0.427 314 V N 0.000 119.922 119.914 0.013 0.000 2.409 314 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 314 V CA 0.000 62.362 62.300 0.104 0.000 1.235 314 V CB 0.000 31.851 31.823 0.046 0.000 1.184 314 V HN 0.000 nan 8.190 nan 0.000 0.556