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 2r68_1_A DATA FIRST_RESID 7 DATA SEQUENCE IKHVAFLNPQ GNFDPADSYW TEHPDFGGQL VYVKEVSLAL AEMGVQVDII DATA SEQUENCE TRRIKDENWP EFSGEIDYYQ ETNKVRIVRI PFGGDKFLPK EELWPYLHEY DATA SEQUENCE VNKIINFYRE EGKFPQVVTT HYGDGGLAGV LLKNIKGLPF TFTGHSLGAQ DATA SEQUENCE KMEKLNVNTS NFKEMDERFK FHRRIIAERL TMSYADKIIV STSQERFGQY DATA SEQUENCE SHDLYRGAVN VEDDDKFSVI PPGVNTRVFD GEYGDKIKAK ITKYLERDLG DATA SEQUENCE SERMELPAII ASSRLDQKKN HYGLVEAYVQ NKELQDKANL VLTLRGIENP DATA SEQUENCE FEDYSRAGQE EKEILGKIIE LIDNNDCRGK VSMFPLNSQQ ELAGCYAYLA DATA SEQUENCE SKGSVFALTS FYEPFGLAPV EAMASGLPAV VTRNGGPAEI LDGGKYGVLV DATA SEQUENCE DPEDPEDIAR GLLKAFESEE TWSAYQEKGK QRVEERYTWQ ETARGYLEVI DATA SEQUENCE QEIADR 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 7 I HA 0.000 nan 4.170 nan 0.000 0.288 7 I C 0.000 176.178 176.117 0.102 0.000 1.063 7 I CA 0.000 61.354 61.300 0.090 0.000 1.566 7 I CB 0.000 38.041 38.000 0.068 0.000 1.214 8 K N 0.183 120.654 120.400 0.119 0.000 2.367 8 K HA 0.167 4.489 4.320 0.003 0.000 0.198 8 K C 0.267 176.984 176.600 0.194 0.000 1.132 8 K CA 0.094 56.458 56.287 0.128 0.000 0.941 8 K CB 0.528 33.093 32.500 0.108 0.000 1.052 8 K HN 0.425 nan 8.250 nan 0.000 0.507 9 H N 0.552 119.671 119.070 0.081 0.000 2.782 9 H HA 0.385 4.942 4.556 0.003 0.000 0.347 9 H C -1.522 173.864 175.328 0.097 0.000 1.038 9 H CA -1.019 55.083 56.048 0.091 0.000 1.255 9 H CB 1.896 31.707 29.762 0.081 0.000 1.623 9 H HN -0.015 nan 8.280 nan 0.000 0.525 10 V N 1.767 121.822 119.914 0.235 0.000 3.114 10 V HA 0.935 5.057 4.120 0.003 0.000 0.308 10 V C -1.210 174.979 176.094 0.158 0.000 1.168 10 V CA -0.698 61.675 62.300 0.121 0.000 1.015 10 V CB 1.486 33.466 31.823 0.262 0.000 1.050 10 V HN 0.863 nan 8.190 nan 0.000 0.433 11 A N 2.467 125.364 122.820 0.127 0.000 2.356 11 A HA 0.899 5.220 4.320 0.003 0.000 0.310 11 A C -1.382 176.382 177.584 0.300 0.000 1.075 11 A CA -0.348 51.808 52.037 0.198 0.000 0.746 11 A CB 1.154 20.190 19.000 0.059 0.000 1.221 11 A HN 0.826 nan 8.150 nan 0.000 0.443 12 F N 2.328 122.323 119.950 0.075 0.000 2.385 12 F HA 0.418 4.947 4.527 0.003 0.000 0.360 12 F C 0.101 175.983 175.800 0.136 0.000 1.122 12 F CA -0.718 57.371 58.000 0.148 0.000 1.090 12 F CB 1.456 40.488 39.000 0.053 0.000 1.150 12 F HN 0.376 nan 8.300 nan 0.000 0.472 13 L N 4.848 126.247 121.223 0.294 0.000 2.260 13 L HA 0.355 4.697 4.340 0.003 0.000 0.289 13 L C 0.222 177.297 176.870 0.341 0.000 1.057 13 L CA -0.263 54.748 54.840 0.285 0.000 0.811 13 L CB 0.537 42.721 42.059 0.209 0.000 1.184 13 L HN 0.572 nan 8.230 nan 0.000 0.429 14 N N 5.404 124.276 118.700 0.286 0.000 2.716 14 N HA 0.167 4.909 4.740 0.003 0.000 0.245 14 N C -2.029 173.552 175.510 0.118 0.000 1.495 14 N CA -1.056 52.141 53.050 0.245 0.000 0.759 14 N CB 1.668 40.355 38.487 0.333 0.000 1.261 14 N HN 0.256 nan 8.380 nan 0.000 0.515 15 P HA -0.170 nan 4.420 nan 0.000 0.219 15 P C 0.383 177.557 177.300 -0.210 0.000 1.146 15 P CA 1.129 64.081 63.100 -0.247 0.000 0.808 15 P CB 0.473 31.834 31.700 -0.565 0.000 0.779 16 Q N -0.544 119.112 119.800 -0.240 0.000 2.316 16 Q HA 0.421 4.763 4.340 0.003 0.000 0.215 16 Q C 0.970 176.708 176.000 -0.435 0.000 1.020 16 Q CA -0.243 55.350 55.803 -0.350 0.000 0.970 16 Q CB 0.065 28.555 28.738 -0.414 0.000 1.187 16 Q HN 0.093 nan 8.270 nan 0.000 0.546 17 G N 0.933 109.375 108.800 -0.597 0.000 2.627 17 G HA2 -0.363 3.599 3.960 0.003 0.000 0.312 17 G HA3 -0.363 3.599 3.960 0.003 0.000 0.312 17 G C -0.230 174.125 174.900 -0.909 0.000 1.299 17 G CA 0.415 44.830 45.100 -1.143 0.000 0.989 17 G HN 0.973 nan 8.290 nan 0.000 0.547 18 N N -2.624 115.465 118.700 -1.018 0.000 3.413 18 N HA 0.520 5.262 4.740 0.003 0.000 0.273 18 N C -1.942 173.025 175.510 -0.904 0.000 1.458 18 N CA -0.297 52.261 53.050 -0.820 0.000 0.860 18 N CB 0.653 38.305 38.487 -1.392 0.000 1.556 18 N HN 0.464 nan 8.380 nan 0.000 0.475 19 F N 0.666 120.524 119.950 -0.154 0.000 2.588 19 F HA 0.476 5.005 4.527 0.003 0.000 0.310 19 F C -0.336 175.493 175.800 0.048 0.000 1.082 19 F CA -0.554 57.485 58.000 0.064 0.000 0.929 19 F CB 2.197 41.221 39.000 0.040 0.000 1.254 19 F HN 0.313 nan 8.300 nan 0.000 0.455 20 D N 1.093 121.607 120.400 0.190 0.000 2.683 20 D HA 0.181 4.823 4.640 0.003 0.000 0.246 20 D C -2.877 173.396 176.300 -0.044 0.000 1.238 20 D CA -1.665 52.361 54.000 0.043 0.000 0.759 20 D CB 1.898 42.836 40.800 0.230 0.000 1.349 20 D HN 0.125 nan 8.370 nan 0.000 0.426 21 P HA -0.077 nan 4.420 nan 0.000 0.219 21 P C 0.873 178.189 177.300 0.025 0.000 1.144 21 P CA 2.316 65.422 63.100 0.011 0.000 0.806 21 P CB 0.160 31.854 31.700 -0.010 0.000 0.771 22 A N -1.731 121.049 122.820 -0.067 0.000 2.430 22 A HA 0.128 4.450 4.320 0.003 0.000 0.243 22 A C 0.013 177.386 177.584 -0.352 0.000 1.254 22 A CA -0.065 51.868 52.037 -0.174 0.000 0.914 22 A CB -0.411 18.475 19.000 -0.190 0.000 0.998 22 A HN 0.036 nan 8.150 nan 0.000 0.515 23 D N 0.919 121.093 120.400 -0.378 0.000 2.697 23 D HA -0.121 4.521 4.640 0.003 0.000 0.238 23 D C -0.288 175.501 176.300 -0.852 0.000 1.152 23 D CA 1.251 54.674 54.000 -0.962 0.000 0.666 23 D CB -1.963 37.633 40.800 -2.007 0.000 1.037 23 D HN 0.396 nan 8.370 nan 0.000 0.423 24 S N -0.551 114.931 115.700 -0.364 0.000 2.549 24 S HA 0.128 4.600 4.470 0.003 0.000 0.286 24 S C 0.773 175.244 174.600 -0.215 0.000 1.314 24 S CA -0.171 57.745 58.200 -0.474 0.000 1.062 24 S CB 0.394 63.201 63.200 -0.654 0.000 0.865 24 S HN 0.358 nan 8.310 nan 0.000 0.498 25 Y N -2.569 117.694 120.300 -0.063 0.000 4.881 25 Y HA -0.178 4.374 4.550 0.003 0.000 0.241 25 Y C 0.213 176.256 175.900 0.239 0.000 0.985 25 Y CA 0.211 58.264 58.100 -0.078 0.000 1.976 25 Y CB -2.747 35.421 38.460 -0.487 0.000 1.528 25 Y HN 0.640 nan 8.280 nan 0.000 0.581 26 W N 1.214 122.630 121.300 0.194 0.000 2.314 26 W HA 0.380 5.042 4.660 0.003 0.000 0.339 26 W C 1.548 178.163 176.519 0.159 0.000 1.293 26 W CA 1.781 59.252 57.345 0.210 0.000 1.288 26 W CB -0.534 29.005 29.460 0.133 0.000 1.186 26 W HN 0.483 nan 8.180 nan 0.000 0.566 27 T N 0.579 115.344 114.554 0.351 0.000 3.996 27 T HA -0.297 4.055 4.350 0.003 0.000 0.348 27 T C 0.618 175.439 174.700 0.201 0.000 0.757 27 T CA 1.836 64.070 62.100 0.223 0.000 1.898 27 T CB -1.793 67.189 68.868 0.189 0.000 1.861 27 T HN 0.629 nan 8.240 nan 0.000 0.821 28 E N -1.649 118.697 120.200 0.244 0.000 2.712 28 E HA 0.302 4.654 4.350 0.003 0.000 0.221 28 E C 0.014 176.751 176.600 0.229 0.000 0.943 28 E CA -0.224 56.287 56.400 0.184 0.000 1.259 28 E CB 0.922 30.714 29.700 0.154 0.000 1.167 28 E HN 0.901 nan 8.360 nan 0.000 0.569 29 H N -1.371 117.815 119.070 0.194 0.000 3.094 29 H HA 0.166 4.724 4.556 0.003 0.000 0.346 29 H C -2.492 173.002 175.328 0.277 0.000 1.238 29 H CA -1.324 54.866 56.048 0.237 0.000 1.209 29 H CB 1.804 31.750 29.762 0.306 0.000 1.911 29 H HN -0.230 nan 8.280 nan 0.000 0.540 30 P HA -0.137 nan 4.420 nan 0.000 0.216 30 P C 0.349 177.693 177.300 0.074 0.000 1.153 30 P CA 1.565 64.594 63.100 -0.118 0.000 0.858 30 P CB 0.266 31.835 31.700 -0.218 0.000 0.789 31 D N -2.213 118.399 120.400 0.353 0.000 2.363 31 D HA -0.001 4.641 4.640 0.003 0.000 0.220 31 D C 0.189 176.446 176.300 -0.072 0.000 0.994 31 D CA 0.627 54.730 54.000 0.171 0.000 0.890 31 D CB -0.452 40.475 40.800 0.211 0.000 0.906 31 D HN 0.272 nan 8.370 nan 0.000 0.530 32 F N 0.366 120.433 119.950 0.195 0.000 2.550 32 F HA 0.460 4.989 4.527 0.003 0.000 0.312 32 F C 1.250 177.058 175.800 0.014 0.000 1.256 32 F CA -0.783 57.299 58.000 0.136 0.000 1.182 32 F CB 1.015 40.227 39.000 0.354 0.000 1.383 32 F HN -0.211 nan 8.300 nan 0.000 0.541 33 G N -0.173 108.600 108.800 -0.045 0.000 3.122 33 G HA2 0.397 4.359 3.960 0.003 0.000 0.180 33 G HA3 0.397 4.359 3.960 0.003 0.000 0.180 33 G C 1.185 175.915 174.900 -0.283 0.000 1.279 33 G CA -0.095 44.938 45.100 -0.112 0.000 0.987 33 G HN 0.330 nan 8.290 nan 0.000 0.589 34 G N -0.812 107.875 108.800 -0.189 0.000 2.479 34 G HA2 -0.213 3.749 3.960 0.003 0.000 0.220 34 G HA3 -0.213 3.749 3.960 0.003 0.000 0.220 34 G C 1.527 176.311 174.900 -0.194 0.000 1.115 34 G CA 1.415 46.411 45.100 -0.174 0.000 0.757 34 G HN 0.570 nan 8.290 nan 0.000 0.560 35 Q N -0.225 119.412 119.800 -0.271 0.000 2.084 35 Q HA -0.048 4.294 4.340 0.003 0.000 0.202 35 Q C 2.509 178.330 176.000 -0.297 0.000 0.978 35 Q CA 0.966 56.508 55.803 -0.435 0.000 0.844 35 Q CB -0.203 28.235 28.738 -0.500 0.000 0.898 35 Q HN 0.555 nan 8.270 nan 0.000 0.426 36 L N -0.283 120.738 121.223 -0.336 0.000 2.046 36 L HA -0.163 4.179 4.340 0.003 0.000 0.208 36 L C 2.432 179.204 176.870 -0.164 0.000 1.077 36 L CA 0.795 55.462 54.840 -0.288 0.000 0.747 36 L CB -0.690 41.069 42.059 -0.499 0.000 0.896 36 L HN 0.118 nan 8.230 nan 0.000 0.432 37 V N -0.556 119.065 119.914 -0.489 0.000 2.287 37 V HA -0.362 3.760 4.120 0.003 0.000 0.248 37 V C 2.303 178.195 176.094 -0.336 0.000 1.053 37 V CA 2.123 64.125 62.300 -0.498 0.000 1.027 37 V CB -0.812 30.660 31.823 -0.585 0.000 0.646 37 V HN 0.392 nan 8.190 nan 0.000 0.447 38 Y N 0.640 120.718 120.300 -0.369 0.000 2.097 38 Y HA -0.271 4.281 4.550 0.003 0.000 0.282 38 Y C 2.494 178.145 175.900 -0.415 0.000 1.152 38 Y CA 2.094 59.955 58.100 -0.398 0.000 1.136 38 Y CB -0.124 38.360 38.460 0.040 0.000 0.975 38 Y HN 0.045 nan 8.280 nan 0.000 0.498 39 V N 1.132 121.108 119.914 0.103 0.000 2.407 39 V HA -0.318 3.804 4.120 0.003 0.000 0.248 39 V C 2.347 178.304 176.094 -0.228 0.000 1.055 39 V CA 2.319 64.602 62.300 -0.029 0.000 1.049 39 V CB -0.707 31.124 31.823 0.014 0.000 0.662 39 V HN 0.398 nan 8.190 nan 0.000 0.455 40 K N -0.103 120.228 120.400 -0.115 0.000 2.025 40 K HA -0.188 4.134 4.320 0.003 0.000 0.207 40 K C 2.175 178.512 176.600 -0.438 0.000 1.049 40 K CA 1.509 57.672 56.287 -0.206 0.000 0.933 40 K CB -0.102 32.387 32.500 -0.019 0.000 0.714 40 K HN 0.348 nan 8.250 nan 0.000 0.438 41 E N 0.628 120.455 120.200 -0.620 0.000 2.077 41 E HA -0.135 4.217 4.350 0.003 0.000 0.193 41 E C 2.191 178.433 176.600 -0.597 0.000 0.989 41 E CA 1.083 56.998 56.400 -0.809 0.000 0.800 41 E CB -0.337 28.325 29.700 -1.730 0.000 0.746 41 E HN 0.177 nan 8.360 nan 0.000 0.452 42 V N 1.363 120.917 119.914 -0.599 0.000 2.295 42 V HA -0.218 3.904 4.120 0.003 0.000 0.246 42 V C 2.404 178.295 176.094 -0.339 0.000 1.049 42 V CA 1.850 63.957 62.300 -0.322 0.000 1.024 42 V CB -0.593 31.039 31.823 -0.318 0.000 0.648 42 V HN 0.175 nan 8.190 nan 0.000 0.447 43 S N 0.050 115.423 115.700 -0.546 0.000 2.356 43 S HA -0.133 4.339 4.470 0.003 0.000 0.223 43 S C 1.925 176.340 174.600 -0.309 0.000 1.032 43 S CA 1.540 59.378 58.200 -0.603 0.000 1.005 43 S CB -0.389 62.376 63.200 -0.725 0.000 0.867 43 S HN 0.450 nan 8.310 nan 0.000 0.449 44 L N 0.872 121.928 121.223 -0.278 0.000 2.083 44 L HA -0.111 4.231 4.340 0.003 0.000 0.209 44 L C 2.650 179.457 176.870 -0.105 0.000 1.083 44 L CA 1.125 55.858 54.840 -0.178 0.000 0.752 44 L CB -0.533 41.391 42.059 -0.225 0.000 0.899 44 L HN 0.337 nan 8.230 nan 0.000 0.433 45 A N -0.530 122.229 122.820 -0.101 0.000 2.014 45 A HA -0.066 4.256 4.320 0.003 0.000 0.218 45 A C 2.189 179.776 177.584 0.005 0.000 1.163 45 A CA 0.865 52.894 52.037 -0.015 0.000 0.652 45 A CB -0.388 18.638 19.000 0.044 0.000 0.808 45 A HN 0.356 nan 8.150 nan 0.000 0.449 46 L N -0.972 120.238 121.223 -0.023 0.000 2.217 46 L HA -0.108 4.234 4.340 0.003 0.000 0.211 46 L C 2.992 179.875 176.870 0.022 0.000 1.107 46 L CA 0.702 55.557 54.840 0.024 0.000 0.783 46 L CB -0.360 41.715 42.059 0.026 0.000 0.919 46 L HN 0.450 nan 8.230 nan 0.000 0.442 47 A N -0.194 122.621 122.820 -0.008 0.000 1.877 47 A HA -0.203 4.119 4.320 0.003 0.000 0.216 47 A C 2.137 179.734 177.584 0.023 0.000 1.186 47 A CA 1.374 53.417 52.037 0.011 0.000 0.620 47 A CB -0.375 18.627 19.000 0.003 0.000 0.822 47 A HN 0.313 nan 8.150 nan 0.000 0.443 48 E N -0.215 119.996 120.200 0.018 0.000 2.171 48 E HA -0.198 4.154 4.350 0.003 0.000 0.197 48 E C 1.669 178.289 176.600 0.034 0.000 0.997 48 E CA 1.323 57.738 56.400 0.026 0.000 0.810 48 E CB -0.360 29.356 29.700 0.027 0.000 0.738 48 E HN 0.736 nan 8.360 nan 0.000 0.467 49 M N -0.736 118.889 119.600 0.042 0.000 2.633 49 M HA 0.113 4.595 4.480 0.003 0.000 0.226 49 M C 0.951 177.281 176.300 0.050 0.000 1.137 49 M CA 0.561 55.891 55.300 0.050 0.000 1.020 49 M CB 0.399 33.038 32.600 0.064 0.000 1.675 49 M HN 0.125 nan 8.290 nan 0.000 0.500 50 G N 1.027 109.854 108.800 0.045 0.000 2.160 50 G HA2 -0.199 3.763 3.960 0.003 0.000 0.251 50 G HA3 -0.199 3.763 3.960 0.003 0.000 0.251 50 G C -0.140 174.794 174.900 0.057 0.000 1.008 50 G CA -0.204 44.923 45.100 0.045 0.000 0.724 50 G HN 0.358 nan 8.290 nan 0.000 0.514 51 V N 0.563 120.517 119.914 0.068 0.000 2.427 51 V HA 0.543 4.665 4.120 0.003 0.000 0.286 51 V C 0.589 176.739 176.094 0.093 0.000 1.034 51 V CA -0.731 61.626 62.300 0.094 0.000 0.893 51 V CB 1.798 33.692 31.823 0.119 0.000 0.982 51 V HN 0.477 nan 8.190 nan 0.000 0.452 52 Q N 4.245 124.110 119.800 0.108 0.000 2.297 52 Q HA 0.393 4.735 4.340 0.003 0.000 0.267 52 Q C -1.055 175.065 176.000 0.200 0.000 1.006 52 Q CA 0.304 56.163 55.803 0.095 0.000 0.896 52 Q CB 1.228 29.944 28.738 -0.037 0.000 1.186 52 Q HN 0.538 nan 8.270 nan 0.000 0.392 53 V N 4.898 124.892 119.914 0.132 0.000 2.483 53 V HA 0.369 4.491 4.120 0.003 0.000 0.297 53 V C -0.997 175.142 176.094 0.075 0.000 1.027 53 V CA -0.929 61.439 62.300 0.113 0.000 0.855 53 V CB 2.045 33.822 31.823 -0.077 0.000 0.995 53 V HN 0.784 nan 8.190 nan 0.000 0.424 54 D N 4.810 125.303 120.400 0.155 0.000 2.303 54 D HA 0.491 5.133 4.640 0.003 0.000 0.236 54 D C -0.272 176.032 176.300 0.006 0.000 1.068 54 D CA -0.095 53.951 54.000 0.076 0.000 0.830 54 D CB 2.459 43.373 40.800 0.190 0.000 1.109 54 D HN 0.364 nan 8.370 nan 0.000 0.496 55 I N 3.512 123.994 120.570 -0.148 0.000 2.287 55 I HA 0.227 4.399 4.170 0.003 0.000 0.290 55 I C 0.296 176.305 176.117 -0.180 0.000 1.069 55 I CA -0.478 60.674 61.300 -0.247 0.000 1.237 55 I CB 0.594 38.217 38.000 -0.628 0.000 1.418 55 I HN 0.131 nan 8.210 nan 0.000 0.481 56 I N 5.983 126.533 120.570 -0.034 0.000 2.322 56 I HA 0.190 4.362 4.170 0.003 0.000 0.292 56 I C 0.627 176.848 176.117 0.173 0.000 1.060 56 I CA 0.284 61.599 61.300 0.025 0.000 1.309 56 I CB 0.991 39.007 38.000 0.027 0.000 1.415 56 I HN 0.532 nan 8.210 nan 0.000 0.492 57 T N 5.830 120.470 114.554 0.144 0.000 2.678 57 T HA 0.456 4.808 4.350 0.003 0.000 0.260 57 T C -0.366 174.424 174.700 0.150 0.000 0.932 57 T CA -0.706 61.486 62.100 0.154 0.000 1.043 57 T CB 1.551 70.525 68.868 0.178 0.000 1.413 57 T HN 0.594 nan 8.240 nan 0.000 0.568 58 R N 0.957 121.461 120.500 0.006 0.000 2.407 58 R HA 0.513 4.855 4.340 0.003 0.000 0.303 58 R C -0.234 176.003 176.300 -0.105 0.000 0.981 58 R CA -0.704 55.364 56.100 -0.052 0.000 0.905 58 R CB 0.872 30.918 30.300 -0.424 0.000 1.099 58 R HN 0.535 nan 8.270 nan 0.000 0.459 59 R N 4.366 124.829 120.500 -0.061 0.000 2.389 59 R HA 0.232 4.574 4.340 0.003 0.000 0.295 59 R C -0.701 175.562 176.300 -0.062 0.000 1.075 59 R CA 0.052 56.141 56.100 -0.018 0.000 1.005 59 R CB 0.485 30.791 30.300 0.011 0.000 0.987 59 R HN 0.549 nan 8.270 nan 0.000 0.452 60 I N 4.933 125.534 120.570 0.051 0.000 2.447 60 I HA 0.234 4.406 4.170 0.003 0.000 0.287 60 I C -0.281 175.892 176.117 0.094 0.000 1.023 60 I CA -0.654 60.683 61.300 0.062 0.000 1.083 60 I CB 2.072 40.188 38.000 0.192 0.000 1.245 60 I HN 0.531 nan 8.210 nan 0.000 0.434 61 K N 4.804 125.228 120.400 0.040 0.000 2.724 61 K HA 0.275 4.597 4.320 0.003 0.000 0.198 61 K C -1.015 175.616 176.600 0.052 0.000 1.099 61 K CA -0.396 55.916 56.287 0.042 0.000 1.025 61 K CB 0.653 33.160 32.500 0.013 0.000 1.509 61 K HN 0.419 nan 8.250 nan 0.000 0.564 62 D N 1.494 121.955 120.400 0.101 0.000 2.620 62 D HA 0.066 4.708 4.640 0.003 0.000 0.252 62 D C 0.405 176.783 176.300 0.129 0.000 1.207 62 D CA -0.254 53.827 54.000 0.134 0.000 0.884 62 D CB 1.486 42.423 40.800 0.230 0.000 1.262 62 D HN 0.109 nan 8.370 nan 0.000 0.552 63 E N 2.131 122.367 120.200 0.060 0.000 2.510 63 E HA -0.081 4.271 4.350 0.003 0.000 0.202 63 E C 0.585 177.157 176.600 -0.045 0.000 1.072 63 E CA 0.397 56.800 56.400 0.006 0.000 0.883 63 E CB 0.284 29.977 29.700 -0.012 0.000 0.818 63 E HN 0.438 nan 8.360 nan 0.000 0.548 64 N N -0.844 117.838 118.700 -0.030 0.000 2.373 64 N HA -0.057 4.685 4.740 0.003 0.000 0.181 64 N C -0.289 174.846 175.510 -0.625 0.000 1.082 64 N CA 0.365 53.245 53.050 -0.282 0.000 0.885 64 N CB 0.283 38.621 38.487 -0.249 0.000 0.977 64 N HN 0.168 nan 8.380 nan 0.000 0.462 65 W N 1.226 122.393 121.300 -0.222 0.000 1.809 65 W HA 0.384 5.045 4.660 0.003 0.000 0.298 65 W C -1.840 174.540 176.519 -0.233 0.000 0.905 65 W CA -1.310 55.861 57.345 -0.290 0.000 1.872 65 W CB 0.773 30.084 29.460 -0.247 0.000 2.092 65 W HN -0.111 nan 8.180 nan 0.000 0.403 66 P HA -0.189 nan 4.420 nan 0.000 0.221 66 P C 0.704 177.920 177.300 -0.140 0.000 1.145 66 P CA 1.634 64.687 63.100 -0.078 0.000 0.795 66 P CB 0.545 32.191 31.700 -0.090 0.000 0.775 67 E N -0.888 119.120 120.200 -0.320 0.000 2.418 67 E HA -0.030 4.322 4.350 0.003 0.000 0.197 67 E C 0.542 176.993 176.600 -0.250 0.000 1.026 67 E CA 0.713 56.880 56.400 -0.388 0.000 0.862 67 E CB -0.659 28.698 29.700 -0.571 0.000 0.799 67 E HN 0.349 nan 8.360 nan 0.000 0.518 68 F N -0.274 119.759 119.950 0.137 0.000 2.837 68 F HA 0.343 4.872 4.527 0.003 0.000 0.298 68 F C 1.279 177.113 175.800 0.057 0.000 1.161 68 F CA -0.538 57.522 58.000 0.101 0.000 1.353 68 F CB -0.108 38.970 39.000 0.129 0.000 0.951 68 F HN -0.146 nan 8.300 nan 0.000 0.508 69 S N -0.015 115.779 115.700 0.157 0.000 2.341 69 S HA 0.063 4.535 4.470 0.003 0.000 0.216 69 S C 1.663 176.313 174.600 0.083 0.000 1.034 69 S CA 0.567 58.825 58.200 0.098 0.000 0.964 69 S CB -0.613 62.619 63.200 0.053 0.000 0.882 69 S HN 0.443 nan 8.310 nan 0.000 0.469 70 G N 1.223 110.068 108.800 0.075 0.000 2.368 70 G HA2 0.040 4.002 3.960 0.003 0.000 0.233 70 G HA3 0.040 4.002 3.960 0.003 0.000 0.233 70 G C 0.438 175.374 174.900 0.060 0.000 1.267 70 G CA -0.103 45.033 45.100 0.061 0.000 0.873 70 G HN 0.506 nan 8.290 nan 0.000 0.539 71 E N 0.910 121.141 120.200 0.052 0.000 2.152 71 E HA -0.050 4.302 4.350 0.003 0.000 0.192 71 E C 0.615 177.224 176.600 0.015 0.000 0.983 71 E CA 0.488 56.915 56.400 0.045 0.000 0.818 71 E CB 0.061 29.805 29.700 0.074 0.000 0.758 71 E HN 0.306 nan 8.360 nan 0.000 0.467 72 I N 1.108 121.693 120.570 0.026 0.000 2.646 72 I HA 0.398 4.570 4.170 0.003 0.000 0.299 72 I C -0.598 175.501 176.117 -0.030 0.000 1.036 72 I CA -0.702 60.586 61.300 -0.021 0.000 1.074 72 I CB 1.686 39.719 38.000 0.056 0.000 1.258 72 I HN 0.020 nan 8.210 nan 0.000 0.430 73 D N 3.283 123.581 120.400 -0.170 0.000 2.623 73 D HA 0.500 5.142 4.640 0.003 0.000 0.241 73 D C -1.812 174.268 176.300 -0.366 0.000 1.241 73 D CA -0.132 53.797 54.000 -0.117 0.000 0.788 73 D CB 1.861 42.614 40.800 -0.078 0.000 1.413 73 D HN 0.255 nan 8.370 nan 0.000 0.429 74 Y N -0.017 120.202 120.300 -0.136 0.000 2.609 74 Y HA 0.500 5.052 4.550 0.003 0.000 0.342 74 Y C -0.564 175.207 175.900 -0.216 0.000 1.058 74 Y CA -0.804 57.205 58.100 -0.152 0.000 1.055 74 Y CB 1.373 39.805 38.460 -0.047 0.000 1.292 74 Y HN 0.221 nan 8.280 nan 0.000 0.476 75 Y N 0.799 121.205 120.300 0.177 0.000 2.335 75 Y HA 0.112 4.664 4.550 0.003 0.000 0.323 75 Y C 1.459 177.412 175.900 0.090 0.000 1.224 75 Y CA -0.495 57.662 58.100 0.094 0.000 1.241 75 Y CB 1.117 39.610 38.460 0.055 0.000 1.235 75 Y HN 0.599 nan 8.280 nan 0.000 0.492 76 Q N 1.411 121.343 119.800 0.220 0.000 2.061 76 Q HA -0.226 4.116 4.340 0.003 0.000 0.204 76 Q C 1.253 177.309 176.000 0.094 0.000 0.984 76 Q CA 2.253 58.124 55.803 0.114 0.000 0.846 76 Q CB 0.143 28.924 28.738 0.072 0.000 0.902 76 Q HN 0.898 nan 8.270 nan 0.000 0.421 77 E N 0.126 120.386 120.200 0.101 0.000 2.086 77 E HA -0.108 4.244 4.350 0.003 0.000 0.200 77 E C 0.966 177.602 176.600 0.061 0.000 1.012 77 E CA 1.580 58.017 56.400 0.062 0.000 0.812 77 E CB -0.177 29.544 29.700 0.036 0.000 0.743 77 E HN 0.277 nan 8.360 nan 0.000 0.453 78 T N -2.040 112.573 114.554 0.099 0.000 2.696 78 T HA 0.359 4.711 4.350 0.003 0.000 0.291 78 T C -0.956 173.817 174.700 0.122 0.000 1.095 78 T CA -0.330 61.819 62.100 0.082 0.000 1.026 78 T CB 0.763 69.674 68.868 0.071 0.000 1.390 78 T HN 0.184 nan 8.240 nan 0.000 0.513 79 N N -0.171 118.582 118.700 0.088 0.000 2.170 79 N HA 0.267 5.009 4.740 0.003 0.000 0.222 79 N C 0.518 176.146 175.510 0.197 0.000 1.218 79 N CA -0.266 52.848 53.050 0.106 0.000 0.889 79 N CB 0.357 38.787 38.487 -0.096 0.000 1.083 79 N HN 0.168 nan 8.380 nan 0.000 0.520 80 K N -0.194 120.289 120.400 0.138 0.000 2.400 80 K HA 0.287 4.609 4.320 0.003 0.000 0.194 80 K C -0.452 176.208 176.600 0.099 0.000 1.033 80 K CA 0.195 56.542 56.287 0.100 0.000 1.021 80 K CB 0.570 33.106 32.500 0.060 0.000 0.808 80 K HN 0.091 nan 8.250 nan 0.000 0.505 81 V N 1.682 121.676 119.914 0.133 0.000 2.334 81 V HA 0.346 4.468 4.120 0.003 0.000 0.281 81 V C -0.605 175.487 176.094 -0.004 0.000 1.016 81 V CA -0.910 61.427 62.300 0.062 0.000 0.832 81 V CB 1.401 33.279 31.823 0.090 0.000 0.999 81 V HN 0.028 nan 8.190 nan 0.000 0.439 82 R N 5.589 126.011 120.500 -0.129 0.000 2.310 82 R HA 0.551 4.893 4.340 0.003 0.000 0.324 82 R C -0.840 175.237 176.300 -0.371 0.000 0.955 82 R CA -0.648 55.198 56.100 -0.422 0.000 0.830 82 R CB 1.007 31.167 30.300 -0.234 0.000 1.154 82 R HN 0.674 nan 8.270 nan 0.000 0.458 83 I N 5.523 125.806 120.570 -0.478 0.000 2.421 83 I HA 0.087 4.259 4.170 0.003 0.000 0.291 83 I C -0.304 175.650 176.117 -0.272 0.000 1.089 83 I CA -0.371 60.733 61.300 -0.327 0.000 1.354 83 I CB 1.267 39.093 38.000 -0.290 0.000 1.413 83 I HN 0.293 nan 8.210 nan 0.000 0.513 84 V N 7.916 127.683 119.914 -0.245 0.000 2.328 84 V HA 0.340 4.462 4.120 0.003 0.000 0.278 84 V C 0.334 176.321 176.094 -0.178 0.000 1.021 84 V CA -0.718 61.405 62.300 -0.294 0.000 0.838 84 V CB 1.101 32.594 31.823 -0.551 0.000 0.999 84 V HN 0.633 nan 8.190 nan 0.000 0.447 85 R N 5.448 125.884 120.500 -0.106 0.000 2.207 85 R HA 0.542 4.884 4.340 0.003 0.000 0.334 85 R C -1.058 175.247 176.300 0.010 0.000 1.013 85 R CA -0.628 55.464 56.100 -0.014 0.000 0.858 85 R CB 1.392 31.703 30.300 0.018 0.000 1.094 85 R HN 0.452 nan 8.270 nan 0.000 0.457 86 I N 5.659 126.295 120.570 0.109 0.000 2.354 86 I HA 0.316 4.488 4.170 0.003 0.000 0.292 86 I C -2.013 174.278 176.117 0.290 0.000 0.989 86 I CA -3.217 58.195 61.300 0.186 0.000 1.188 86 I CB 1.558 39.706 38.000 0.246 0.000 1.342 86 I HN 0.296 nan 8.210 nan 0.000 0.457 87 P HA 0.488 nan 4.420 nan 0.000 0.285 87 P C -1.203 176.236 177.300 0.231 0.000 1.259 87 P CA -0.045 63.105 63.100 0.084 0.000 0.794 87 P CB 0.982 32.703 31.700 0.034 0.000 0.940 88 F N -2.513 117.377 119.950 -0.100 0.000 2.765 88 F HA 0.531 5.059 4.527 0.003 0.000 0.313 88 F C 0.212 175.815 175.800 -0.329 0.000 1.136 88 F CA -0.378 57.532 58.000 -0.150 0.000 0.952 88 F CB 0.186 39.151 39.000 -0.059 0.000 1.268 88 F HN 0.595 nan 8.300 nan 0.000 0.441 89 G N 0.983 109.500 108.800 -0.472 0.000 2.246 89 G HA2 0.414 4.376 3.960 0.003 0.000 0.273 89 G HA3 0.414 4.376 3.960 0.003 0.000 0.273 89 G C 1.125 175.555 174.900 -0.783 0.000 1.055 89 G CA 0.805 45.115 45.100 -1.317 0.000 0.851 89 G HN 3.160 nan 8.290 nan 0.000 0.500 90 G N -0.906 107.615 108.800 -0.466 0.000 2.527 90 G HA2 -0.001 3.961 3.960 0.003 0.000 0.227 90 G HA3 -0.001 3.961 3.960 0.003 0.000 0.227 90 G C 0.283 175.041 174.900 -0.236 0.000 1.291 90 G CA 0.760 45.689 45.100 -0.285 0.000 0.904 90 G HN 0.624 nan 8.290 nan 0.000 0.577 91 D N 0.218 120.517 120.400 -0.169 0.000 2.626 91 D HA 0.114 4.756 4.640 0.003 0.000 0.274 91 D C 1.073 177.308 176.300 -0.108 0.000 1.045 91 D CA 0.479 54.406 54.000 -0.123 0.000 0.925 91 D CB 0.205 40.968 40.800 -0.062 0.000 1.260 91 D HN 0.486 nan 8.370 nan 0.000 0.490 92 K N 1.130 121.477 120.400 -0.089 0.000 2.414 92 K HA 0.049 4.371 4.320 0.003 0.000 0.272 92 K C 0.355 176.898 176.600 -0.094 0.000 0.993 92 K CA -0.403 55.863 56.287 -0.034 0.000 0.964 92 K CB 0.683 33.177 32.500 -0.009 0.000 0.925 92 K HN -0.096 nan 8.250 nan 0.000 0.487 93 F N 2.772 122.614 119.950 -0.180 0.000 2.650 93 F HA 0.000 4.529 4.527 0.003 0.000 0.355 93 F C -0.380 175.246 175.800 -0.289 0.000 1.163 93 F CA 0.461 58.239 58.000 -0.369 0.000 1.374 93 F CB 0.296 38.902 39.000 -0.658 0.000 1.065 93 F HN 0.251 nan 8.300 nan 0.000 0.616 94 L N 5.975 126.183 121.223 -1.692 0.000 2.470 94 L HA 0.368 4.710 4.340 0.003 0.000 0.268 94 L C -2.488 173.534 176.870 -1.414 0.000 0.964 94 L CA -2.077 52.047 54.840 -1.194 0.000 0.839 94 L CB 2.128 43.790 42.059 -0.662 0.000 1.276 94 L HN 0.475 nan 8.230 nan 0.000 0.403 95 P HA 0.075 nan 4.420 nan 0.000 0.270 95 P C 0.179 177.286 177.300 -0.321 0.000 1.223 95 P CA -0.464 62.443 63.100 -0.321 0.000 0.785 95 P CB 0.611 32.303 31.700 -0.014 0.000 0.923 96 K N 1.142 121.401 120.400 -0.235 0.000 2.113 96 K HA -0.222 4.100 4.320 0.003 0.000 0.208 96 K C 0.810 177.210 176.600 -0.334 0.000 1.047 96 K CA 1.803 57.892 56.287 -0.329 0.000 0.928 96 K CB -0.562 31.714 32.500 -0.374 0.000 0.716 96 K HN 0.284 nan 8.250 nan 0.000 0.446 97 E N 0.805 120.905 120.200 -0.167 0.000 2.515 97 E HA -0.068 4.284 4.350 0.003 0.000 0.201 97 E C 0.871 177.409 176.600 -0.103 0.000 1.071 97 E CA 0.566 56.920 56.400 -0.076 0.000 0.880 97 E CB 0.151 29.883 29.700 0.053 0.000 0.828 97 E HN 0.353 nan 8.360 nan 0.000 0.540 98 E N -0.660 119.426 120.200 -0.189 0.000 2.511 98 E HA 0.133 4.485 4.350 0.003 0.000 0.209 98 E C 1.320 177.863 176.600 -0.094 0.000 0.986 98 E CA 0.055 56.393 56.400 -0.104 0.000 0.974 98 E CB 0.371 30.015 29.700 -0.094 0.000 1.030 98 E HN 0.317 nan 8.360 nan 0.000 0.490 99 L N -1.124 119.940 121.223 -0.265 0.000 2.395 99 L HA 0.042 4.384 4.340 0.003 0.000 0.218 99 L C 1.911 178.694 176.870 -0.146 0.000 1.130 99 L CA 0.440 55.194 54.840 -0.144 0.000 0.826 99 L CB -0.450 41.447 42.059 -0.270 0.000 0.941 99 L HN 0.119 nan 8.230 nan 0.000 0.451 100 W N 1.835 123.110 121.300 -0.041 0.000 2.298 100 W HA -0.179 4.482 4.660 0.003 0.000 0.328 100 W C 0.058 176.492 176.519 -0.143 0.000 1.259 100 W CA 0.745 58.043 57.345 -0.077 0.000 1.251 100 W CB -1.973 27.435 29.460 -0.087 0.000 1.161 100 W HN 0.109 nan 8.180 nan 0.000 0.466 101 P HA -0.191 nan 4.420 nan 0.000 0.223 101 P C 0.430 177.524 177.300 -0.344 0.000 1.144 101 P CA 1.767 64.695 63.100 -0.287 0.000 0.783 101 P CB -0.251 31.123 31.700 -0.542 0.000 0.771 102 Y N -1.187 119.159 120.300 0.076 0.000 2.507 102 Y HA 0.209 4.761 4.550 0.003 0.000 0.263 102 Y C 2.516 178.256 175.900 -0.268 0.000 1.093 102 Y CA -0.312 57.750 58.100 -0.063 0.000 1.285 102 Y CB -1.182 37.390 38.460 0.187 0.000 1.115 102 Y HN -0.258 nan 8.280 nan 0.000 0.533 103 L N 0.442 121.623 121.223 -0.070 0.000 2.211 103 L HA -0.329 4.013 4.340 0.003 0.000 0.216 103 L C 2.477 179.288 176.870 -0.099 0.000 1.092 103 L CA 2.220 56.952 54.840 -0.180 0.000 0.767 103 L CB -0.704 41.341 42.059 -0.023 0.000 0.894 103 L HN 0.515 nan 8.230 nan 0.000 0.437 104 H N -1.672 117.406 119.070 0.013 0.000 2.395 104 H HA -0.126 4.432 4.556 0.003 0.000 0.299 104 H C 2.034 177.366 175.328 0.006 0.000 1.070 104 H CA 1.240 57.294 56.048 0.009 0.000 1.356 104 H CB -0.332 29.443 29.762 0.022 0.000 1.401 104 H HN 0.352 nan 8.280 nan 0.000 0.524 105 E N -0.014 119.836 120.200 -0.583 0.000 2.023 105 E HA -0.285 4.067 4.350 0.003 0.000 0.196 105 E C 1.912 178.439 176.600 -0.122 0.000 1.003 105 E CA 1.177 57.437 56.400 -0.233 0.000 0.809 105 E CB -0.366 29.220 29.700 -0.190 0.000 0.755 105 E HN 0.541 nan 8.360 nan 0.000 0.449 106 Y N 1.260 121.264 120.300 -0.493 0.000 2.062 106 Y HA -0.340 4.212 4.550 0.003 0.000 0.273 106 Y C 2.079 177.811 175.900 -0.280 0.000 1.206 106 Y CA 2.030 59.761 58.100 -0.615 0.000 1.125 106 Y CB -0.760 36.956 38.460 -1.240 0.000 0.951 106 Y HN -0.061 nan 8.280 nan 0.000 0.501 107 V N 1.185 120.943 119.914 -0.261 0.000 2.295 107 V HA -0.350 3.772 4.120 0.003 0.000 0.246 107 V C 2.280 178.298 176.094 -0.126 0.000 1.049 107 V CA 2.185 64.334 62.300 -0.252 0.000 1.024 107 V CB -0.813 30.946 31.823 -0.107 0.000 0.648 107 V HN 0.489 nan 8.190 nan 0.000 0.447 108 N N 0.425 119.101 118.700 -0.040 0.000 2.069 108 N HA -0.174 4.568 4.740 0.003 0.000 0.191 108 N C 1.825 177.342 175.510 0.011 0.000 1.031 108 N CA 1.472 54.534 53.050 0.020 0.000 0.852 108 N CB -0.300 38.227 38.487 0.067 0.000 1.018 108 N HN 0.535 nan 8.380 nan 0.000 0.423 109 K N 0.607 120.996 120.400 -0.018 0.000 2.148 109 K HA 0.034 4.356 4.320 0.003 0.000 0.204 109 K C 2.121 178.704 176.600 -0.029 0.000 1.050 109 K CA 0.525 56.814 56.287 0.003 0.000 0.942 109 K CB -0.016 32.501 32.500 0.028 0.000 0.724 109 K HN 0.191 nan 8.250 nan 0.000 0.446 110 I N 1.898 122.384 120.570 -0.140 0.000 2.179 110 I HA -0.289 3.883 4.170 0.003 0.000 0.242 110 I C 2.519 178.658 176.117 0.038 0.000 1.088 110 I CA 1.280 62.488 61.300 -0.153 0.000 1.357 110 I CB -0.491 37.333 38.000 -0.294 0.000 1.051 110 I HN 0.205 nan 8.210 nan 0.000 0.409 111 I N -0.848 119.778 120.570 0.093 0.000 2.226 111 I HA -0.289 3.883 4.170 0.003 0.000 0.245 111 I C 1.986 178.210 176.117 0.178 0.000 1.100 111 I CA 2.000 63.445 61.300 0.242 0.000 1.374 111 I CB -0.879 37.271 38.000 0.249 0.000 1.057 111 I HN 0.267 nan 8.210 nan 0.000 0.413 112 N N 0.774 119.539 118.700 0.108 0.000 2.069 112 N HA -0.196 4.546 4.740 0.003 0.000 0.191 112 N C 1.844 177.363 175.510 0.015 0.000 1.031 112 N CA 1.695 54.789 53.050 0.073 0.000 0.852 112 N CB -0.341 38.181 38.487 0.058 0.000 1.018 112 N HN 0.348 nan 8.380 nan 0.000 0.423 113 F N 1.106 120.955 119.950 -0.168 0.000 2.027 113 F HA -0.324 4.205 4.527 0.003 0.000 0.297 113 F C 1.775 177.355 175.800 -0.368 0.000 1.129 113 F CA 1.698 59.520 58.000 -0.297 0.000 1.195 113 F CB -0.517 38.209 39.000 -0.457 0.000 0.960 113 F HN 0.092 nan 8.300 nan 0.000 0.485 114 Y N -0.026 120.198 120.300 -0.126 0.000 2.333 114 Y HA -0.144 4.407 4.550 0.003 0.000 0.290 114 Y C 2.630 178.301 175.900 -0.382 0.000 1.144 114 Y CA 1.512 59.337 58.100 -0.458 0.000 1.228 114 Y CB -0.801 36.922 38.460 -1.229 0.000 0.985 114 Y HN 0.078 nan 8.280 nan 0.000 0.542 115 R N 0.380 120.845 120.500 -0.058 0.000 2.073 115 R HA -0.162 4.180 4.340 0.003 0.000 0.234 115 R C 2.018 178.335 176.300 0.029 0.000 1.134 115 R CA 1.513 57.697 56.100 0.140 0.000 0.952 115 R CB -0.004 30.395 30.300 0.166 0.000 0.850 115 R HN 0.208 nan 8.270 nan 0.000 0.433 116 E N 0.609 120.759 120.200 -0.083 0.000 2.110 116 E HA -0.192 4.160 4.350 0.003 0.000 0.193 116 E C 1.775 178.296 176.600 -0.132 0.000 0.988 116 E CA 1.237 57.562 56.400 -0.126 0.000 0.804 116 E CB -0.019 29.549 29.700 -0.221 0.000 0.745 116 E HN 0.492 nan 8.360 nan 0.000 0.458 117 E N -0.621 119.472 120.200 -0.179 0.000 2.208 117 E HA -0.047 4.305 4.350 0.003 0.000 0.193 117 E C 1.052 177.657 176.600 0.009 0.000 0.988 117 E CA 0.570 56.906 56.400 -0.107 0.000 0.828 117 E CB 0.071 29.712 29.700 -0.097 0.000 0.763 117 E HN 0.369 nan 8.360 nan 0.000 0.478 118 G N 2.265 111.100 108.800 0.058 0.000 2.143 118 G HA2 -0.312 3.650 3.960 0.003 0.000 0.248 118 G HA3 -0.312 3.650 3.960 0.003 0.000 0.248 118 G C 0.022 175.029 174.900 0.178 0.000 0.991 118 G CA 0.843 46.014 45.100 0.119 0.000 0.689 118 G HN 0.340 nan 8.290 nan 0.000 0.522 119 K N -1.327 119.198 120.400 0.209 0.000 2.501 119 K HA 0.777 5.099 4.320 0.003 0.000 0.252 119 K C -1.451 175.294 176.600 0.241 0.000 0.934 119 K CA -1.259 55.185 56.287 0.262 0.000 0.797 119 K CB 1.715 34.358 32.500 0.238 0.000 1.270 119 K HN -0.009 nan 8.250 nan 0.000 0.431 120 F N 1.779 121.743 119.950 0.025 0.000 2.508 120 F HA 0.440 4.969 4.527 0.003 0.000 0.325 120 F C -2.134 173.435 175.800 -0.385 0.000 1.090 120 F CA -2.217 55.610 58.000 -0.289 0.000 0.945 120 F CB 1.939 40.822 39.000 -0.196 0.000 1.156 120 F HN 0.440 nan 8.300 nan 0.000 0.463 121 P HA 0.100 nan 4.420 nan 0.000 0.268 121 P C -0.012 177.165 177.300 -0.205 0.000 1.208 121 P CA 0.083 62.796 63.100 -0.645 0.000 0.777 121 P CB 0.647 31.895 31.700 -0.753 0.000 0.875 122 Q N 0.292 120.039 119.800 -0.089 0.000 2.083 122 Q HA 0.024 4.366 4.340 0.003 0.000 0.198 122 Q C 0.718 176.711 176.000 -0.011 0.000 0.969 122 Q CA 0.972 56.769 55.803 -0.011 0.000 0.838 122 Q CB -0.047 28.712 28.738 0.036 0.000 0.900 122 Q HN 0.443 nan 8.270 nan 0.000 0.436 123 V N -3.672 116.238 119.914 -0.007 0.000 3.130 123 V HA 0.721 4.843 4.120 0.003 0.000 0.310 123 V C -0.734 175.371 176.094 0.019 0.000 1.158 123 V CA -1.054 61.258 62.300 0.019 0.000 1.029 123 V CB 2.324 34.171 31.823 0.040 0.000 1.057 123 V HN -0.173 nan 8.190 nan 0.000 0.436 124 V N 1.780 121.727 119.914 0.055 0.000 2.735 124 V HA 0.822 4.944 4.120 0.003 0.000 0.310 124 V C 0.124 176.246 176.094 0.048 0.000 1.061 124 V CA 0.206 62.534 62.300 0.046 0.000 0.913 124 V CB 2.140 33.988 31.823 0.041 0.000 1.005 124 V HN 1.297 nan 8.190 nan 0.000 0.428 125 T N -0.264 114.232 114.554 -0.097 0.000 2.841 125 T HA 0.757 5.109 4.350 0.003 0.000 0.283 125 T C -0.323 174.276 174.700 -0.169 0.000 1.000 125 T CA -0.451 61.535 62.100 -0.190 0.000 0.977 125 T CB 1.692 70.241 68.868 -0.532 0.000 0.979 125 T HN 0.911 nan 8.240 nan 0.000 0.446 126 T N 0.314 114.782 114.554 -0.144 0.000 2.912 126 T HA 0.689 5.041 4.350 0.003 0.000 0.288 126 T C -1.150 173.347 174.700 -0.339 0.000 1.030 126 T CA -0.827 61.247 62.100 -0.044 0.000 1.020 126 T CB 1.072 70.014 68.868 0.124 0.000 1.056 126 T HN 0.828 nan 8.240 nan 0.000 0.480 127 H N 0.328 119.606 119.070 0.346 0.000 2.840 127 H HA 0.603 5.161 4.556 0.003 0.000 0.340 127 H C -1.057 174.597 175.328 0.543 0.000 1.004 127 H CA -0.378 55.924 56.048 0.424 0.000 1.288 127 H CB 0.750 30.778 29.762 0.443 0.000 1.607 127 H HN 0.904 nan 8.280 nan 0.000 0.522 128 Y N 0.144 120.742 120.300 0.497 0.000 2.512 128 Y HA -0.281 4.271 4.550 0.003 0.000 0.020 128 Y C 1.438 177.632 175.900 0.489 0.000 1.708 128 Y CA 0.793 59.155 58.100 0.437 0.000 1.416 128 Y CB -0.278 38.332 38.460 0.251 0.000 2.061 128 Y HN 0.876 nan 8.280 nan 0.000 0.255 129 G N 1.980 110.842 108.800 0.103 0.000 2.469 129 G HA2 -0.321 3.641 3.960 0.003 0.000 0.220 129 G HA3 -0.321 3.641 3.960 0.003 0.000 0.220 129 G C 0.990 176.132 174.900 0.403 0.000 1.136 129 G CA 1.354 46.579 45.100 0.208 0.000 0.759 129 G HN 0.897 nan 8.290 nan 0.000 0.562 130 D N 0.680 121.313 120.400 0.387 0.000 2.097 130 D HA -0.019 4.623 4.640 0.003 0.000 0.195 130 D C 2.414 178.768 176.300 0.089 0.000 0.989 130 D CA 1.333 55.331 54.000 -0.003 0.000 0.827 130 D CB -1.230 39.354 40.800 -0.360 0.000 0.966 130 D HN 0.281 nan 8.370 nan 0.000 0.456 131 G N 0.014 108.914 108.800 0.167 0.000 2.422 131 G HA2 -0.070 3.892 3.960 0.003 0.000 0.218 131 G HA3 -0.070 3.892 3.960 0.003 0.000 0.218 131 G C 1.687 176.634 174.900 0.079 0.000 1.140 131 G CA 0.762 45.957 45.100 0.158 0.000 0.775 131 G HN 0.486 nan 8.290 nan 0.000 0.545 132 G N 1.015 109.856 108.800 0.068 0.000 2.404 132 G HA2 -0.131 3.831 3.960 0.003 0.000 0.215 132 G HA3 -0.131 3.831 3.960 0.003 0.000 0.215 132 G C 1.728 176.506 174.900 -0.203 0.000 1.174 132 G CA 0.987 45.991 45.100 -0.160 0.000 0.780 132 G HN 0.394 nan 8.290 nan 0.000 0.537 133 L N 1.652 122.851 121.223 -0.040 0.000 2.043 133 L HA 0.001 4.343 4.340 0.003 0.000 0.212 133 L C 3.007 179.838 176.870 -0.066 0.000 1.075 133 L CA 2.292 57.133 54.840 0.002 0.000 0.752 133 L CB -0.815 41.371 42.059 0.212 0.000 0.891 133 L HN 0.249 nan 8.230 nan 0.000 0.432 134 A N -0.577 122.227 122.820 -0.026 0.000 1.940 134 A HA -0.100 4.222 4.320 0.003 0.000 0.219 134 A C 2.343 179.801 177.584 -0.211 0.000 1.176 134 A CA 1.621 53.646 52.037 -0.020 0.000 0.631 134 A CB -1.568 17.540 19.000 0.180 0.000 0.814 134 A HN 0.557 nan 8.150 nan 0.000 0.446 135 G N -0.868 107.687 108.800 -0.410 0.000 2.422 135 G HA2 -0.016 3.945 3.960 0.003 0.000 0.218 135 G HA3 -0.016 3.945 3.960 0.003 0.000 0.218 135 G C 1.449 175.760 174.900 -0.981 0.000 1.140 135 G CA 1.121 45.684 45.100 -0.894 0.000 0.775 135 G HN 0.319 nan 8.290 nan 0.000 0.545 136 V N 1.007 120.544 119.914 -0.628 0.000 2.270 136 V HA -0.098 4.024 4.120 0.003 0.000 0.245 136 V C 2.897 178.787 176.094 -0.340 0.000 1.043 136 V CA 1.387 63.441 62.300 -0.410 0.000 1.014 136 V CB -0.516 31.157 31.823 -0.250 0.000 0.645 136 V HN 0.332 nan 8.190 nan 0.000 0.447 137 L N -0.566 120.517 121.223 -0.234 0.000 2.012 137 L HA -0.198 4.144 4.340 0.003 0.000 0.210 137 L C 2.437 179.221 176.870 -0.144 0.000 1.073 137 L CA 1.344 56.093 54.840 -0.151 0.000 0.748 137 L CB -0.698 41.317 42.059 -0.074 0.000 0.891 137 L HN 0.331 nan 8.230 nan 0.000 0.431 138 L N -0.017 121.107 121.223 -0.166 0.000 2.362 138 L HA -0.166 4.176 4.340 0.003 0.000 0.219 138 L C 2.291 179.102 176.870 -0.098 0.000 1.134 138 L CA 1.639 56.407 54.840 -0.121 0.000 0.807 138 L CB -0.585 41.389 42.059 -0.141 0.000 0.927 138 L HN 0.176 nan 8.230 nan 0.000 0.447 139 K N -1.175 119.148 120.400 -0.128 0.000 2.244 139 K HA -0.079 4.243 4.320 0.003 0.000 0.200 139 K C 1.865 178.415 176.600 -0.083 0.000 1.052 139 K CA 0.706 56.967 56.287 -0.043 0.000 0.980 139 K CB 0.021 32.582 32.500 0.101 0.000 0.838 139 K HN 0.295 nan 8.250 nan 0.000 0.481 140 N N 0.742 119.346 118.700 -0.159 0.000 2.381 140 N HA -0.068 4.673 4.740 0.003 0.000 0.182 140 N C 1.328 176.788 175.510 -0.084 0.000 1.025 140 N CA 1.110 54.072 53.050 -0.146 0.000 0.888 140 N CB 0.136 38.504 38.487 -0.199 0.000 0.965 140 N HN 0.272 nan 8.380 nan 0.000 0.438 141 I N -1.007 119.517 120.570 -0.077 0.000 2.685 141 I HA 0.035 4.207 4.170 0.003 0.000 0.251 141 I C 1.450 177.527 176.117 -0.067 0.000 1.102 141 I CA 0.449 61.716 61.300 -0.055 0.000 1.442 141 I CB 0.060 38.038 38.000 -0.035 0.000 1.194 141 I HN -0.044 nan 8.210 nan 0.000 0.448 142 K N 0.937 121.290 120.400 -0.078 0.000 2.358 142 K HA 0.262 4.584 4.320 0.003 0.000 0.200 142 K C 0.813 177.340 176.600 -0.122 0.000 1.030 142 K CA 0.452 56.656 56.287 -0.138 0.000 1.097 142 K CB 0.722 33.112 32.500 -0.183 0.000 0.862 142 K HN 0.371 nan 8.250 nan 0.000 0.534 143 G N 2.218 110.976 108.800 -0.069 0.000 2.249 143 G HA2 -0.261 3.701 3.960 0.003 0.000 0.273 143 G HA3 -0.261 3.701 3.960 0.003 0.000 0.273 143 G C -0.087 174.800 174.900 -0.022 0.000 1.036 143 G CA 0.125 45.201 45.100 -0.040 0.000 0.824 143 G HN 0.235 nan 8.290 nan 0.000 0.504 144 L N 1.771 122.994 121.223 -0.001 0.000 2.264 144 L HA 0.366 4.708 4.340 0.003 0.000 0.289 144 L C -1.249 175.686 176.870 0.109 0.000 1.044 144 L CA -2.158 52.697 54.840 0.026 0.000 0.807 144 L CB 1.224 43.292 42.059 0.015 0.000 1.192 144 L HN 0.010 nan 8.230 nan 0.000 0.425 145 P HA 0.104 nan 4.420 nan 0.000 0.269 145 P C -1.074 176.307 177.300 0.134 0.000 1.215 145 P CA 0.145 63.272 63.100 0.045 0.000 0.780 145 P CB 0.639 32.322 31.700 -0.028 0.000 0.898 146 F N -1.702 118.224 119.950 -0.041 0.000 2.668 146 F HA 0.677 5.206 4.527 0.003 0.000 0.309 146 F C -0.752 175.017 175.800 -0.051 0.000 1.117 146 F CA -1.011 56.961 58.000 -0.047 0.000 0.951 146 F CB 1.139 40.114 39.000 -0.043 0.000 1.323 146 F HN 0.384 nan 8.300 nan 0.000 0.451 147 T N -0.401 114.212 114.554 0.099 0.000 2.945 147 T HA 0.738 5.090 4.350 0.003 0.000 0.286 147 T C -1.494 173.323 174.700 0.195 0.000 1.025 147 T CA -0.521 61.571 62.100 -0.013 0.000 1.039 147 T CB 1.981 70.801 68.868 -0.081 0.000 1.068 147 T HN 0.819 nan 8.240 nan 0.000 0.497 148 F N 1.059 120.956 119.950 -0.088 0.000 2.540 148 F HA 0.656 5.185 4.527 0.003 0.000 0.317 148 F C -0.983 174.738 175.800 -0.132 0.000 1.104 148 F CA -0.787 57.176 58.000 -0.060 0.000 0.913 148 F CB 2.162 41.177 39.000 0.024 0.000 1.170 148 F HN 0.764 nan 8.300 nan 0.000 0.450 149 T N 4.838 118.864 114.554 -0.881 0.000 2.890 149 T HA 0.385 4.736 4.350 0.003 0.000 0.295 149 T C 0.800 174.755 174.700 -1.241 0.000 0.993 149 T CA -0.222 61.342 62.100 -0.894 0.000 0.979 149 T CB 1.459 70.025 68.868 -0.503 0.000 0.967 149 T HN 0.818 nan 8.240 nan 0.000 0.441 150 G N 1.070 109.172 108.800 -1.164 0.000 2.394 150 G HA2 -0.090 3.872 3.960 0.003 0.000 0.215 150 G HA3 -0.090 3.872 3.960 0.003 0.000 0.215 150 G C 0.990 175.804 174.900 -0.143 0.000 1.165 150 G CA 0.734 45.462 45.100 -0.620 0.000 0.784 150 G HN 0.925 nan 8.290 nan 0.000 0.535 151 H N -0.927 118.093 119.070 -0.084 0.000 4.880 151 H HA -0.183 4.375 4.556 0.003 0.000 0.084 151 H C 0.519 175.883 175.328 0.060 0.000 0.577 151 H CA 1.669 57.718 56.048 0.003 0.000 1.124 151 H CB -1.621 28.173 29.762 0.054 0.000 0.507 151 H HN 0.537 nan 8.280 nan 0.000 0.707 152 S N 0.163 115.969 115.700 0.177 0.000 2.584 152 S HA 0.515 4.987 4.470 0.003 0.000 0.282 152 S C -0.727 173.884 174.600 0.018 0.000 1.138 152 S CA -0.654 57.625 58.200 0.132 0.000 0.987 152 S CB 0.553 63.905 63.200 0.253 0.000 1.137 152 S HN 0.296 nan 8.310 nan 0.000 0.457 153 L N 3.689 124.899 121.223 -0.022 0.000 2.343 153 L HA 0.512 4.853 4.340 0.003 0.000 0.275 153 L C 1.889 178.782 176.870 0.038 0.000 1.056 153 L CA -0.479 54.339 54.840 -0.037 0.000 0.804 153 L CB 0.977 42.972 42.059 -0.107 0.000 1.203 153 L HN 0.864 nan 8.230 nan 0.000 0.440 154 G N 1.038 109.893 108.800 0.092 0.000 2.418 154 G HA2 -0.249 3.713 3.960 0.003 0.000 0.217 154 G HA3 -0.249 3.713 3.960 0.003 0.000 0.217 154 G C 1.544 176.407 174.900 -0.063 0.000 1.158 154 G CA 0.957 46.133 45.100 0.127 0.000 0.771 154 G HN 0.807 nan 8.290 nan 0.000 0.545 155 A N 0.536 123.260 122.820 -0.159 0.000 1.859 155 A HA -0.187 4.135 4.320 0.003 0.000 0.217 155 A C 2.386 179.756 177.584 -0.357 0.000 1.198 155 A CA 2.384 54.079 52.037 -0.569 0.000 0.629 155 A CB -0.647 17.696 19.000 -1.094 0.000 0.830 155 A HN 0.346 nan 8.150 nan 0.000 0.446 156 Q N -0.406 119.301 119.800 -0.155 0.000 2.112 156 Q HA -0.189 4.152 4.340 0.003 0.000 0.206 156 Q C 2.107 178.065 176.000 -0.070 0.000 0.987 156 Q CA 2.155 57.926 55.803 -0.054 0.000 0.858 156 Q CB -0.327 28.411 28.738 -0.001 0.000 0.905 156 Q HN 0.766 nan 8.270 nan 0.000 0.420 157 K N -0.066 120.293 120.400 -0.069 0.000 2.026 157 K HA -0.122 4.200 4.320 0.003 0.000 0.208 157 K C 1.959 178.441 176.600 -0.196 0.000 1.048 157 K CA 1.414 57.664 56.287 -0.062 0.000 0.929 157 K CB -0.099 32.439 32.500 0.062 0.000 0.713 157 K HN 0.209 nan 8.250 nan 0.000 0.439 158 M N 0.807 120.151 119.600 -0.426 0.000 2.202 158 M HA -0.168 4.314 4.480 0.003 0.000 0.262 158 M C 1.815 177.954 176.300 -0.269 0.000 1.063 158 M CA 1.201 56.137 55.300 -0.606 0.000 1.097 158 M CB -0.163 31.994 32.600 -0.739 0.000 1.382 158 M HN 0.134 nan 8.290 nan 0.000 0.413 159 E N 0.808 120.912 120.200 -0.160 0.000 2.002 159 E HA -0.086 4.266 4.350 0.003 0.000 0.205 159 E C 0.678 177.251 176.600 -0.046 0.000 1.020 159 E CA 1.112 57.476 56.400 -0.059 0.000 0.856 159 E CB -0.386 29.310 29.700 -0.006 0.000 0.788 159 E HN 0.199 nan 8.360 nan 0.000 0.477 160 K N 0.321 120.703 120.400 -0.031 0.000 2.448 160 K HA 0.130 4.452 4.320 0.003 0.000 0.278 160 K C 0.560 177.153 176.600 -0.012 0.000 1.009 160 K CA 0.756 57.038 56.287 -0.009 0.000 0.995 160 K CB -0.063 32.440 32.500 0.004 0.000 0.917 160 K HN 0.365 nan 8.250 nan 0.000 0.481 161 L N -1.165 120.065 121.223 0.013 0.000 3.512 161 L HA -0.280 4.062 4.340 0.003 0.000 0.446 161 L C 0.541 177.421 176.870 0.016 0.000 1.290 161 L CA 1.223 56.086 54.840 0.038 0.000 0.871 161 L CB -3.132 nan 42.059 nan 0.000 1.767 161 L HN 0.892 nan 8.230 nan 0.000 0.855 162 N N -1.527 117.169 118.700 -0.007 0.000 2.344 162 N HA 0.776 5.517 4.740 0.003 0.000 0.236 162 N C 0.954 176.461 175.510 -0.005 0.000 1.279 162 N CA 0.718 53.749 53.050 -0.032 0.000 0.882 162 N CB 0.843 nan 38.487 nan 0.000 1.110 162 N HN 2.331 nan 8.380 nan 0.000 0.436 163 V N -0.265 119.635 119.914 -0.025 0.000 2.169 163 V HA 0.527 4.649 4.120 0.003 0.000 0.271 163 V C 1.162 177.265 176.094 0.015 0.000 1.372 163 V CA 0.025 62.337 62.300 0.019 0.000 1.348 163 V CB -1.139 nan 31.823 nan 0.000 1.379 163 V HN 1.174 nan 8.190 nan 0.000 0.491 164 N N 1.791 120.500 118.700 0.016 0.000 3.117 164 N HA 0.261 5.003 4.740 0.003 0.000 0.323 164 N C 1.290 176.810 175.510 0.018 0.000 1.245 164 N CA 0.829 53.886 53.050 0.012 0.000 1.191 164 N CB -0.869 37.624 38.487 0.011 0.000 1.451 164 N HN 0.995 nan 8.380 nan 0.000 0.555 165 T N -1.759 112.808 114.554 0.022 0.000 10.649 165 T HA -0.312 4.039 4.350 0.003 0.000 0.405 165 T C 1.895 176.614 174.700 0.031 0.000 1.545 165 T CA 2.188 64.302 62.100 0.024 0.000 2.508 165 T CB -1.735 67.142 68.868 0.015 0.000 2.850 165 T HN 0.700 nan 8.240 nan 0.000 1.062 166 S N 1.054 116.773 115.700 0.031 0.000 2.368 166 S HA 0.112 4.584 4.470 0.003 0.000 0.224 166 S C 1.555 176.184 174.600 0.048 0.000 1.029 166 S CA 1.411 59.632 58.200 0.035 0.000 0.988 166 S CB -0.331 62.889 63.200 0.033 0.000 0.838 166 S HN 1.049 nan 8.310 nan 0.000 0.462 167 N N -0.651 118.085 118.700 0.060 0.000 2.990 167 N HA 0.565 5.307 4.740 0.003 0.000 0.288 167 N C -0.046 175.527 175.510 0.105 0.000 1.624 167 N CA 0.158 53.261 53.050 0.088 0.000 0.961 167 N CB -0.879 37.670 38.487 0.105 0.000 1.259 167 N HN 0.356 nan 8.380 nan 0.000 0.489 168 F N -1.146 118.858 119.950 0.090 0.000 2.637 168 F HA 0.537 5.066 4.527 0.003 0.000 0.284 168 F C 2.241 178.114 175.800 0.121 0.000 1.105 168 F CA 1.263 59.322 58.000 0.098 0.000 1.356 168 F CB -0.476 nan 39.000 nan 0.000 1.096 168 F HN 0.756 nan 8.300 nan 0.000 0.616 169 K N 0.569 121.026 120.400 0.095 0.000 2.313 169 K HA 0.393 4.715 4.320 0.003 0.000 0.197 169 K C 1.859 178.511 176.600 0.087 0.000 1.061 169 K CA 1.425 57.764 56.287 0.088 0.000 0.980 169 K CB -1.281 nan 32.500 nan 0.000 0.888 169 K HN 0.699 nan 8.250 nan 0.000 0.502 170 E N 0.890 121.139 120.200 0.081 0.000 2.047 170 E HA -0.036 4.316 4.350 0.003 0.000 0.191 170 E C 2.130 178.770 176.600 0.066 0.000 0.987 170 E CA 1.539 57.974 56.400 0.058 0.000 0.799 170 E CB -0.518 29.216 29.700 0.056 0.000 0.752 170 E HN 0.457 nan 8.360 nan 0.000 0.449 171 M N 0.692 120.395 119.600 0.172 0.000 2.175 171 M HA -0.058 4.424 4.480 0.003 0.000 0.264 171 M C 1.883 178.351 176.300 0.281 0.000 1.063 171 M CA 1.787 57.284 55.300 0.329 0.000 1.119 171 M CB -0.744 32.188 32.600 0.553 0.000 1.377 171 M HN 0.376 nan 8.290 nan 0.000 0.415 172 D N 0.647 121.211 120.400 0.274 0.000 2.348 172 D HA -0.076 4.566 4.640 0.003 0.000 0.216 172 D C 1.927 178.272 176.300 0.075 0.000 0.970 172 D CA 1.483 55.619 54.000 0.227 0.000 0.889 172 D CB 0.378 41.351 40.800 0.288 0.000 0.912 172 D HN 0.463 nan 8.370 nan 0.000 0.524 173 E N -0.184 120.027 120.200 0.019 0.000 2.060 173 E HA 0.002 4.354 4.350 0.003 0.000 0.189 173 E C 2.261 178.769 176.600 -0.154 0.000 0.974 173 E CA 1.427 57.804 56.400 -0.038 0.000 0.808 173 E CB -1.034 nan 29.700 nan 0.000 0.768 173 E HN 0.380 nan 8.360 nan 0.000 0.453 174 R N -0.670 119.631 120.500 -0.332 0.000 2.246 174 R HA 0.370 4.712 4.340 0.003 0.000 0.199 174 R C 1.660 177.456 176.300 -0.840 0.000 0.984 174 R CA 1.182 56.896 56.100 -0.644 0.000 1.015 174 R CB -0.516 29.211 30.300 -0.955 0.000 0.930 174 R HN 0.505 nan 8.270 nan 0.000 0.475 175 F N -0.816 118.981 119.950 -0.255 0.000 2.746 175 F HA 0.339 4.868 4.527 0.003 0.000 0.320 175 F C 0.118 175.643 175.800 -0.459 0.000 1.097 175 F CA -1.089 56.604 58.000 -0.512 0.000 1.195 175 F CB 0.723 38.992 39.000 -1.218 0.000 1.056 175 F HN -0.060 nan 8.300 nan 0.000 0.562 176 K N 0.057 120.382 120.400 -0.126 0.000 3.156 176 K HA -0.233 4.089 4.320 0.003 0.000 0.266 176 K C 0.484 177.016 176.600 -0.114 0.000 0.966 176 K CA 0.185 56.424 56.287 -0.081 0.000 0.719 176 K CB -2.564 29.985 32.500 0.082 0.000 1.333 176 K HN 0.192 nan 8.250 nan 0.000 0.468 177 F N 0.142 120.146 119.950 0.089 0.000 2.134 177 F HA -0.180 4.348 4.527 0.003 0.000 0.299 177 F C 2.659 178.421 175.800 -0.063 0.000 1.097 177 F CA 1.990 60.016 58.000 0.044 0.000 1.264 177 F CB -0.460 38.595 39.000 0.092 0.000 1.001 177 F HN 0.592 nan 8.300 nan 0.000 0.479 178 H N -0.113 119.039 119.070 0.137 0.000 2.545 178 H HA 0.055 4.613 4.556 0.003 0.000 0.282 178 H C 1.793 177.055 175.328 -0.109 0.000 1.020 178 H CA 0.952 57.009 56.048 0.014 0.000 1.243 178 H CB -0.191 29.579 29.762 0.014 0.000 1.377 178 H HN 0.290 nan 8.280 nan 0.000 0.581 179 R N 0.337 120.433 120.500 -0.674 0.000 2.123 179 R HA 0.096 4.438 4.340 0.003 0.000 0.209 179 R C 2.651 178.352 176.300 -0.999 0.000 1.078 179 R CA 0.392 55.980 56.100 -0.852 0.000 1.028 179 R CB 0.127 29.812 30.300 -1.025 0.000 0.939 179 R HN 0.209 nan 8.270 nan 0.000 0.463 180 R N 1.157 121.217 120.500 -0.734 0.000 2.070 180 R HA -0.102 4.240 4.340 0.003 0.000 0.233 180 R C 2.031 178.199 176.300 -0.219 0.000 1.137 180 R CA 1.427 57.257 56.100 -0.449 0.000 0.945 180 R CB -0.135 30.260 30.300 0.158 0.000 0.845 180 R HN 0.042 nan 8.270 nan 0.000 0.430 181 I N 1.619 122.151 120.570 -0.065 0.000 2.151 181 I HA -0.292 3.880 4.170 0.003 0.000 0.243 181 I C 2.376 178.496 176.117 0.005 0.000 1.080 181 I CA 1.321 62.643 61.300 0.037 0.000 1.339 181 I CB -1.112 36.891 38.000 0.006 0.000 1.039 181 I HN 0.260 nan 8.210 nan 0.000 0.409 182 I N 1.085 121.600 120.570 -0.092 0.000 2.361 182 I HA -0.199 3.973 4.170 0.003 0.000 0.251 182 I C 2.768 178.814 176.117 -0.118 0.000 1.133 182 I CA 1.336 62.588 61.300 -0.080 0.000 1.413 182 I CB -1.614 36.329 38.000 -0.094 0.000 1.073 182 I HN 0.123 nan 8.210 nan 0.000 0.424 183 A N 1.008 123.676 122.820 -0.254 0.000 1.873 183 A HA -0.190 4.132 4.320 0.003 0.000 0.215 183 A C 2.246 179.754 177.584 -0.125 0.000 1.186 183 A CA 1.449 53.349 52.037 -0.227 0.000 0.616 183 A CB -0.612 18.104 19.000 -0.474 0.000 0.823 183 A HN 0.465 nan 8.150 nan 0.000 0.442 184 E N -0.335 119.798 120.200 -0.112 0.000 2.153 184 E HA -0.186 4.166 4.350 0.003 0.000 0.194 184 E C 2.270 178.784 176.600 -0.144 0.000 0.988 184 E CA 1.098 57.400 56.400 -0.163 0.000 0.811 184 E CB -0.184 29.462 29.700 -0.090 0.000 0.746 184 E HN 0.540 nan 8.360 nan 0.000 0.466 185 R N 0.560 121.052 120.500 -0.013 0.000 2.073 185 R HA -0.104 4.238 4.340 0.003 0.000 0.234 185 R C 2.483 178.782 176.300 -0.002 0.000 1.134 185 R CA 1.072 57.195 56.100 0.038 0.000 0.952 185 R CB -0.428 29.929 30.300 0.096 0.000 0.850 185 R HN 0.159 nan 8.270 nan 0.000 0.433 186 L N 0.131 121.362 121.223 0.013 0.000 2.042 186 L HA -0.200 4.142 4.340 0.003 0.000 0.210 186 L C 2.389 179.348 176.870 0.148 0.000 1.076 186 L CA 1.509 56.413 54.840 0.106 0.000 0.749 186 L CB -0.638 41.492 42.059 0.118 0.000 0.893 186 L HN 0.295 nan 8.230 nan 0.000 0.432 187 T N -0.540 113.997 114.554 -0.028 0.000 2.674 187 T HA -0.235 4.117 4.350 0.003 0.000 0.265 187 T C 1.901 176.567 174.700 -0.056 0.000 1.039 187 T CA 1.507 63.553 62.100 -0.089 0.000 1.150 187 T CB -0.240 68.263 68.868 -0.608 0.000 0.864 187 T HN 0.185 nan 8.240 nan 0.000 0.427 188 M N 1.238 120.752 119.600 -0.143 0.000 2.082 188 M HA -0.177 4.305 4.480 0.003 0.000 0.258 188 M C 2.718 178.965 176.300 -0.088 0.000 1.071 188 M CA 1.739 56.997 55.300 -0.070 0.000 1.103 188 M CB -0.573 32.010 32.600 -0.029 0.000 1.307 188 M HN 0.255 nan 8.290 nan 0.000 0.409 189 S N -0.903 114.750 115.700 -0.078 0.000 2.387 189 S HA -0.195 4.277 4.470 0.003 0.000 0.230 189 S C 1.580 176.024 174.600 -0.260 0.000 1.035 189 S CA 1.552 59.648 58.200 -0.174 0.000 1.014 189 S CB -0.223 62.848 63.200 -0.215 0.000 0.836 189 S HN 0.503 nan 8.310 nan 0.000 0.466 190 Y N 0.901 121.177 120.300 -0.040 0.000 2.507 190 Y HA 0.539 5.091 4.550 0.003 0.000 0.263 190 Y C 1.294 177.008 175.900 -0.310 0.000 1.093 190 Y CA -0.149 57.925 58.100 -0.043 0.000 1.285 190 Y CB -0.373 38.187 38.460 0.167 0.000 1.115 190 Y HN 0.282 nan 8.280 nan 0.000 0.533 191 A N 0.780 123.447 122.820 -0.253 0.000 2.566 191 A HA -0.051 4.271 4.320 0.003 0.000 0.245 191 A C 0.576 177.837 177.584 -0.539 0.000 1.056 191 A CA 0.332 51.960 52.037 -0.680 0.000 0.757 191 A CB -0.186 18.645 19.000 -0.283 0.000 0.979 191 A HN 0.498 nan 8.150 nan 0.000 0.508 192 D N 0.696 120.719 120.400 -0.628 0.000 2.269 192 D HA 0.034 4.676 4.640 0.003 0.000 0.208 192 D C 0.311 176.421 176.300 -0.316 0.000 0.963 192 D CA 1.336 55.110 54.000 -0.375 0.000 0.864 192 D CB 0.215 40.827 40.800 -0.315 0.000 0.936 192 D HN 0.339 nan 8.370 nan 0.000 0.505 193 K N 0.075 120.265 120.400 -0.349 0.000 2.557 193 K HA 0.403 4.725 4.320 0.003 0.000 0.261 193 K C -1.610 174.792 176.600 -0.330 0.000 0.932 193 K CA -0.592 55.501 56.287 -0.323 0.000 0.829 193 K CB 2.538 34.889 32.500 -0.248 0.000 1.358 193 K HN -0.054 nan 8.250 nan 0.000 0.430 194 I N 3.601 123.900 120.570 -0.452 0.000 2.410 194 I HA 0.427 4.599 4.170 0.003 0.000 0.286 194 I C -0.875 175.016 176.117 -0.375 0.000 1.009 194 I CA -0.799 60.234 61.300 -0.444 0.000 1.111 194 I CB 0.783 38.344 38.000 -0.732 0.000 1.262 194 I HN 0.515 nan 8.210 nan 0.000 0.443 195 I N 8.320 128.719 120.570 -0.286 0.000 2.331 195 I HA 0.336 4.508 4.170 0.003 0.000 0.292 195 I C -0.203 175.848 176.117 -0.110 0.000 0.998 195 I CA -0.668 60.512 61.300 -0.199 0.000 1.267 195 I CB 1.371 39.215 38.000 -0.260 0.000 1.386 195 I HN 0.349 nan 8.210 nan 0.000 0.476 196 V N 1.918 121.826 119.914 -0.010 0.000 2.815 196 V HA 0.463 4.585 4.120 0.003 0.000 0.314 196 V C 0.511 176.660 176.094 0.092 0.000 1.064 196 V CA -0.465 61.871 62.300 0.060 0.000 0.952 196 V CB 1.697 33.570 31.823 0.082 0.000 1.020 196 V HN 0.719 nan 8.190 nan 0.000 0.439 197 S N 1.496 117.274 115.700 0.130 0.000 2.436 197 S HA 0.103 4.575 4.470 0.003 0.000 0.228 197 S C 0.818 175.508 174.600 0.150 0.000 1.014 197 S CA 1.112 59.410 58.200 0.164 0.000 0.950 197 S CB -0.225 63.085 63.200 0.183 0.000 0.784 197 S HN 1.218 nan 8.310 nan 0.000 0.504 198 T N -1.833 112.796 114.554 0.125 0.000 2.821 198 T HA 0.395 4.747 4.350 0.003 0.000 0.306 198 T C 0.891 175.632 174.700 0.069 0.000 1.313 198 T CA -0.137 62.033 62.100 0.117 0.000 1.012 198 T CB 1.440 70.400 68.868 0.154 0.000 1.298 198 T HN -0.039 nan 8.240 nan 0.000 0.502 199 S N 0.233 115.977 115.700 0.073 0.000 2.402 199 S HA -0.172 4.300 4.470 0.003 0.000 0.229 199 S C 1.726 176.403 174.600 0.127 0.000 1.021 199 S CA 0.960 59.203 58.200 0.071 0.000 0.974 199 S CB -0.778 62.534 63.200 0.187 0.000 0.800 199 S HN 0.730 nan 8.310 nan 0.000 0.484 200 Q N 0.791 120.678 119.800 0.145 0.000 2.170 200 Q HA -0.105 4.237 4.340 0.003 0.000 0.203 200 Q C 2.258 178.331 176.000 0.123 0.000 0.976 200 Q CA 1.428 57.324 55.803 0.155 0.000 0.858 200 Q CB -0.190 28.628 28.738 0.133 0.000 0.907 200 Q HN 0.781 nan 8.270 nan 0.000 0.433 201 E N 0.977 121.239 120.200 0.102 0.000 2.051 201 E HA -0.232 4.120 4.350 0.003 0.000 0.192 201 E C 2.092 178.783 176.600 0.151 0.000 0.991 201 E CA 0.887 57.366 56.400 0.131 0.000 0.799 201 E CB 0.067 29.856 29.700 0.148 0.000 0.748 201 E HN 0.167 nan 8.360 nan 0.000 0.449 202 R N -0.388 120.068 120.500 -0.073 0.000 2.075 202 R HA -0.156 4.186 4.340 0.003 0.000 0.230 202 R C 2.059 178.094 176.300 -0.442 0.000 1.140 202 R CA 1.971 57.774 56.100 -0.496 0.000 0.928 202 R CB -0.415 29.186 30.300 -1.165 0.000 0.834 202 R HN 0.177 nan 8.270 nan 0.000 0.429 203 F N -0.287 119.582 119.950 -0.135 0.000 2.558 203 F HA 0.184 4.713 4.527 0.003 0.000 0.298 203 F C 2.186 177.993 175.800 0.012 0.000 1.119 203 F CA 0.992 58.949 58.000 -0.073 0.000 1.451 203 F CB -0.185 38.769 39.000 -0.076 0.000 1.091 203 F HN 0.273 nan 8.300 nan 0.000 0.563 204 G N -1.091 107.820 108.800 0.185 0.000 2.559 204 G HA2 -0.031 3.931 3.960 0.003 0.000 0.209 204 G HA3 -0.031 3.931 3.960 0.003 0.000 0.209 204 G C 1.462 176.446 174.900 0.141 0.000 1.151 204 G CA 0.082 45.272 45.100 0.150 0.000 0.824 204 G HN 0.273 nan 8.290 nan 0.000 0.543 205 Q N -0.970 118.913 119.800 0.137 0.000 2.297 205 Q HA 0.165 4.507 4.340 0.003 0.000 0.203 205 Q C 1.680 177.740 176.000 0.100 0.000 0.931 205 Q CA 0.368 56.224 55.803 0.088 0.000 0.885 205 Q CB 0.135 28.862 28.738 -0.019 0.000 0.991 205 Q HN 0.576 nan 8.270 nan 0.000 0.498 206 Y N 0.097 120.488 120.300 0.151 0.000 2.529 206 Y HA -0.022 4.530 4.550 0.003 0.000 0.290 206 Y C 2.000 178.050 175.900 0.250 0.000 1.177 206 Y CA 0.700 58.916 58.100 0.194 0.000 1.305 206 Y CB 0.462 39.019 38.460 0.161 0.000 1.047 206 Y HN 0.122 nan 8.280 nan 0.000 0.522 207 S N -2.016 113.876 115.700 0.320 0.000 2.575 207 S HA -0.025 4.446 4.470 0.003 0.000 0.215 207 S C 0.615 175.346 174.600 0.219 0.000 0.966 207 S CA -0.300 58.046 58.200 0.243 0.000 0.911 207 S CB -0.467 62.838 63.200 0.175 0.000 0.780 207 S HN 0.351 nan 8.310 nan 0.000 0.514 208 H N 2.981 122.145 119.070 0.157 0.000 3.038 208 H HA 0.039 4.597 4.556 0.003 0.000 0.338 208 H C 0.537 175.841 175.328 -0.040 0.000 1.041 208 H CA 0.852 56.914 56.048 0.023 0.000 1.394 208 H CB 0.458 30.183 29.762 -0.062 0.000 1.357 208 H HN 0.138 nan 8.280 nan 0.000 0.600 209 D N 4.536 124.872 120.400 -0.107 0.000 2.126 209 D HA -0.214 4.428 4.640 0.003 0.000 0.190 209 D C 2.381 178.726 176.300 0.075 0.000 1.001 209 D CA 1.430 55.430 54.000 -0.000 0.000 0.841 209 D CB 0.017 40.753 40.800 -0.106 0.000 0.949 209 D HN 0.585 nan 8.370 nan 0.000 0.446 210 L N -0.171 121.117 121.223 0.108 0.000 2.456 210 L HA -0.213 4.129 4.340 0.003 0.000 0.225 210 L C 1.421 178.127 176.870 -0.273 0.000 1.142 210 L CA 0.922 55.612 54.840 -0.250 0.000 0.796 210 L CB -0.330 41.359 42.059 -0.616 0.000 0.920 210 L HN 0.143 nan 8.230 nan 0.000 0.446 211 Y N -1.034 119.334 120.300 0.113 0.000 2.481 211 Y HA 0.167 4.719 4.550 0.003 0.000 0.247 211 Y C 1.086 177.038 175.900 0.088 0.000 1.151 211 Y CA -1.233 56.921 58.100 0.090 0.000 1.238 211 Y CB -0.295 38.238 38.460 0.121 0.000 1.179 211 Y HN 0.160 nan 8.280 nan 0.000 0.524 212 R N 0.151 120.760 120.500 0.182 0.000 2.585 212 R HA 0.343 4.685 4.340 0.003 0.000 0.275 212 R C 1.228 177.585 176.300 0.095 0.000 1.018 212 R CA 0.988 57.163 56.100 0.124 0.000 1.072 212 R CB -0.001 30.344 30.300 0.075 0.000 0.953 212 R HN 0.388 nan 8.270 nan 0.000 0.419 213 G N 1.446 110.292 108.800 0.075 0.000 2.284 213 G HA2 -0.410 3.552 3.960 0.003 0.000 0.247 213 G HA3 -0.410 3.552 3.960 0.003 0.000 0.247 213 G C 0.808 175.729 174.900 0.034 0.000 1.012 213 G CA 0.419 45.545 45.100 0.043 0.000 0.618 213 G HN 0.871 nan 8.290 nan 0.000 0.521 214 A N -0.953 121.909 122.820 0.071 0.000 1.997 214 A HA 0.717 5.039 4.320 0.003 0.000 0.212 214 A C 1.078 178.682 177.584 0.033 0.000 1.178 214 A CA 1.878 53.944 52.037 0.049 0.000 0.698 214 A CB 0.429 19.491 19.000 0.104 0.000 0.842 214 A HN 1.722 nan 8.150 nan 0.000 0.458 215 V N 0.301 120.269 119.914 0.089 0.000 2.932 215 V HA 0.531 4.653 4.120 0.003 0.000 0.307 215 V C -2.067 174.103 176.094 0.126 0.000 1.147 215 V CA -0.917 61.433 62.300 0.084 0.000 0.951 215 V CB 2.111 34.014 31.823 0.133 0.000 1.031 215 V HN 0.387 nan 8.190 nan 0.000 0.426 216 N N 4.253 123.019 118.700 0.110 0.000 2.699 216 N HA 0.224 4.966 4.740 0.003 0.000 0.232 216 N C 0.726 176.356 175.510 0.200 0.000 1.027 216 N CA 0.129 53.254 53.050 0.126 0.000 0.920 216 N CB 1.479 40.011 38.487 0.074 0.000 1.148 216 N HN 0.728 nan 8.380 nan 0.000 0.509 217 V N 0.781 120.804 119.914 0.183 0.000 2.982 217 V HA -0.080 4.042 4.120 0.003 0.000 0.265 217 V C 1.066 177.144 176.094 -0.027 0.000 1.122 217 V CA 1.503 63.812 62.300 0.015 0.000 1.143 217 V CB -0.592 31.179 31.823 -0.086 0.000 0.726 217 V HN 0.571 nan 8.190 nan 0.000 0.507 218 E N 0.282 120.556 120.200 0.123 0.000 2.502 218 E HA 0.017 4.369 4.350 0.003 0.000 0.194 218 E C 0.351 177.026 176.600 0.125 0.000 1.062 218 E CA 0.246 56.742 56.400 0.161 0.000 0.867 218 E CB 0.061 29.837 29.700 0.128 0.000 0.888 218 E HN 0.598 nan 8.360 nan 0.000 0.510 219 D N 1.215 121.693 120.400 0.131 0.000 2.393 219 D HA -0.009 4.633 4.640 0.003 0.000 0.232 219 D C 0.293 176.681 176.300 0.146 0.000 1.192 219 D CA -0.120 53.947 54.000 0.113 0.000 0.882 219 D CB 0.697 41.544 40.800 0.079 0.000 1.038 219 D HN -0.091 nan 8.370 nan 0.000 0.499 220 D N 2.388 122.846 120.400 0.097 0.000 2.218 220 D HA -0.173 4.469 4.640 0.003 0.000 0.204 220 D C 1.084 177.424 176.300 0.065 0.000 0.976 220 D CA 0.762 54.813 54.000 0.086 0.000 0.853 220 D CB 0.246 41.084 40.800 0.063 0.000 0.939 220 D HN 0.520 nan 8.370 nan 0.000 0.481 221 D N -0.003 120.416 120.400 0.031 0.000 2.347 221 D HA -0.100 4.542 4.640 0.003 0.000 0.215 221 D C 1.696 177.954 176.300 -0.069 0.000 0.976 221 D CA 0.652 54.641 54.000 -0.017 0.000 0.884 221 D CB 0.218 41.002 40.800 -0.027 0.000 0.915 221 D HN -0.092 nan 8.370 nan 0.000 0.526 222 K N -1.164 119.194 120.400 -0.070 0.000 2.379 222 K HA 0.185 4.507 4.320 0.003 0.000 0.194 222 K C -0.665 175.618 176.600 -0.528 0.000 1.031 222 K CA 0.158 56.272 56.287 -0.288 0.000 1.037 222 K CB 0.073 32.379 32.500 -0.323 0.000 0.824 222 K HN -0.002 nan 8.250 nan 0.000 0.516 223 F N -0.813 119.023 119.950 -0.191 0.000 2.593 223 F HA 0.526 5.055 4.527 0.003 0.000 0.320 223 F C -0.338 175.357 175.800 -0.175 0.000 1.060 223 F CA -0.906 56.958 58.000 -0.225 0.000 0.940 223 F CB 2.496 41.325 39.000 -0.284 0.000 1.268 223 F HN -0.393 nan 8.300 nan 0.000 0.475 224 S N 0.882 116.603 115.700 0.035 0.000 2.572 224 S HA 0.519 4.991 4.470 0.003 0.000 0.274 224 S C -1.358 173.235 174.600 -0.011 0.000 1.150 224 S CA -0.704 57.483 58.200 -0.022 0.000 0.944 224 S CB 1.923 65.064 63.200 -0.098 0.000 1.071 224 S HN 0.290 nan 8.310 nan 0.000 0.479 225 V N 4.823 124.739 119.914 0.004 0.000 2.385 225 V HA 0.503 4.625 4.120 0.003 0.000 0.269 225 V C -0.408 175.705 176.094 0.032 0.000 1.043 225 V CA -0.146 62.170 62.300 0.027 0.000 0.906 225 V CB 0.463 32.307 31.823 0.035 0.000 0.995 225 V HN 0.758 nan 8.190 nan 0.000 0.467 226 I N 7.055 127.662 120.570 0.061 0.000 2.560 226 I HA 0.327 4.499 4.170 0.003 0.000 0.278 226 I C -2.657 173.559 176.117 0.165 0.000 1.089 226 I CA -1.643 59.714 61.300 0.096 0.000 1.086 226 I CB 2.174 40.218 38.000 0.074 0.000 1.202 226 I HN 0.437 nan 8.210 nan 0.000 0.471 227 P HA 0.186 nan 4.420 nan 0.000 0.271 227 P C -2.336 174.976 177.300 0.019 0.000 1.218 227 P CA -0.885 62.290 63.100 0.125 0.000 0.780 227 P CB -0.025 31.769 31.700 0.156 0.000 0.901 228 P HA 0.170 nan 4.420 nan 0.000 0.274 228 P C -0.104 176.696 177.300 -0.834 0.000 1.256 228 P CA 0.040 62.874 63.100 -0.442 0.000 0.795 228 P CB 0.708 32.358 31.700 -0.083 0.000 1.038 229 G N -0.520 107.122 108.800 -1.931 0.000 2.489 229 G HA2 0.446 4.408 3.960 0.003 0.000 0.327 229 G HA3 0.446 4.408 3.960 0.003 0.000 0.327 229 G C -0.735 173.492 174.900 -1.123 0.000 1.189 229 G CA -0.704 43.553 45.100 -1.404 0.000 0.962 229 G HN 0.469 nan 8.290 nan 0.000 0.486 230 V N 0.741 120.365 119.914 -0.484 0.000 2.963 230 V HA 0.179 4.301 4.120 0.003 0.000 0.306 230 V C 0.549 176.696 176.094 0.088 0.000 1.077 230 V CA -0.794 61.403 62.300 -0.171 0.000 1.124 230 V CB 1.320 33.067 31.823 -0.127 0.000 0.987 230 V HN 0.707 nan 8.190 nan 0.000 0.487 231 N N 3.783 122.653 118.700 0.284 0.000 2.498 231 N HA 0.006 4.748 4.740 0.003 0.000 0.277 231 N C 1.178 176.931 175.510 0.406 0.000 1.208 231 N CA 0.712 54.020 53.050 0.430 0.000 1.029 231 N CB 0.606 39.353 38.487 0.434 0.000 1.403 231 N HN 0.939 nan 8.380 nan 0.000 0.500 232 T N 0.211 114.957 114.554 0.319 0.000 3.035 232 T HA 0.017 4.369 4.350 0.003 0.000 0.268 232 T C 1.712 176.525 174.700 0.187 0.000 1.109 232 T CA 0.505 62.752 62.100 0.247 0.000 1.119 232 T CB 0.201 69.181 68.868 0.186 0.000 0.900 232 T HN 0.359 nan 8.240 nan 0.000 0.503 233 R N 0.652 121.253 120.500 0.168 0.000 2.073 233 R HA -0.008 4.334 4.340 0.003 0.000 0.234 233 R C 2.417 178.744 176.300 0.044 0.000 1.134 233 R CA 1.345 57.500 56.100 0.091 0.000 0.952 233 R CB -0.740 29.606 30.300 0.077 0.000 0.850 233 R HN 0.335 nan 8.270 nan 0.000 0.433 234 V N 0.343 120.265 119.914 0.014 0.000 2.256 234 V HA -0.124 3.998 4.120 0.003 0.000 0.240 234 V C 0.962 176.900 176.094 -0.259 0.000 1.036 234 V CA 1.223 63.406 62.300 -0.194 0.000 1.008 234 V CB -0.339 31.245 31.823 -0.398 0.000 0.648 234 V HN 0.090 nan 8.190 nan 0.000 0.453 235 F N 2.441 122.450 119.950 0.098 0.000 2.678 235 F HA 0.183 4.712 4.527 0.003 0.000 0.358 235 F C 0.860 176.717 175.800 0.096 0.000 1.256 235 F CA -0.573 57.492 58.000 0.110 0.000 1.278 235 F CB -0.696 38.367 39.000 0.106 0.000 1.681 235 F HN 0.360 nan 8.300 nan 0.000 0.661 236 D N -1.230 119.267 120.400 0.161 0.000 2.369 236 D HA 0.186 4.828 4.640 0.003 0.000 0.211 236 D C 1.762 178.141 176.300 0.131 0.000 1.077 236 D CA 0.344 54.420 54.000 0.127 0.000 0.842 236 D CB 0.180 41.025 40.800 0.076 0.000 0.947 236 D HN 0.444 nan 8.370 nan 0.000 0.509 237 G N -0.159 108.747 108.800 0.177 0.000 2.136 237 G HA2 -0.279 3.683 3.960 0.003 0.000 0.242 237 G HA3 -0.279 3.683 3.960 0.003 0.000 0.242 237 G C -0.144 174.869 174.900 0.190 0.000 0.989 237 G CA 0.116 45.328 45.100 0.187 0.000 0.682 237 G HN 0.451 nan 8.290 nan 0.000 0.522 238 E N -1.160 119.139 120.200 0.164 0.000 2.320 238 E HA 0.737 5.088 4.350 0.003 0.000 0.264 238 E C -0.631 176.088 176.600 0.199 0.000 0.923 238 E CA -1.145 55.318 56.400 0.105 0.000 0.796 238 E CB 1.630 31.336 29.700 0.010 0.000 1.262 238 E HN 0.622 nan 8.360 nan 0.000 0.428 239 Y N -2.123 118.231 120.300 0.091 0.000 2.513 239 Y HA 0.661 5.213 4.550 0.004 0.000 0.340 239 Y C -0.282 175.642 175.900 0.041 0.000 1.055 239 Y CA -1.279 56.868 58.100 0.079 0.000 1.020 239 Y CB 0.811 39.358 38.460 0.144 0.000 1.301 239 Y HN 0.538 nan 8.280 nan 0.000 0.453 240 G N 1.008 109.889 108.800 0.135 0.000 2.528 240 G HA2 0.218 4.180 3.960 0.003 0.000 0.289 240 G HA3 0.218 4.180 3.960 0.003 0.000 0.289 240 G C -0.348 174.616 174.900 0.107 0.000 1.192 240 G CA -0.295 44.833 45.100 0.047 0.000 0.921 240 G HN 0.892 nan 8.290 nan 0.000 0.512 241 D N -0.884 119.539 120.400 0.039 0.000 2.264 241 D HA -0.083 4.559 4.640 0.003 0.000 0.208 241 D C 2.123 178.411 176.300 -0.020 0.000 0.966 241 D CA 0.932 54.949 54.000 0.028 0.000 0.864 241 D CB 0.175 40.978 40.800 0.005 0.000 0.933 241 D HN 0.451 nan 8.370 nan 0.000 0.499 242 K N -0.318 120.069 120.400 -0.021 0.000 2.103 242 K HA -0.082 4.240 4.320 0.003 0.000 0.204 242 K C 1.919 178.480 176.600 -0.065 0.000 1.052 242 K CA 0.616 56.876 56.287 -0.045 0.000 0.945 242 K CB -0.062 32.419 32.500 -0.032 0.000 0.722 242 K HN 0.113 nan 8.250 nan 0.000 0.443 243 I N 1.812 122.358 120.570 -0.040 0.000 2.439 243 I HA -0.196 3.976 4.170 0.003 0.000 0.251 243 I C 2.080 178.094 176.117 -0.172 0.000 1.139 243 I CA 1.380 62.648 61.300 -0.054 0.000 1.438 243 I CB -0.162 37.849 38.000 0.017 0.000 1.085 243 I HN 0.100 nan 8.210 nan 0.000 0.427 244 K N 0.574 120.823 120.400 -0.253 0.000 2.097 244 K HA -0.176 4.146 4.320 0.003 0.000 0.206 244 K C 2.056 178.399 176.600 -0.429 0.000 1.049 244 K CA 1.471 57.389 56.287 -0.615 0.000 0.933 244 K CB -0.218 31.969 32.500 -0.522 0.000 0.717 244 K HN 0.383 nan 8.250 nan 0.000 0.442 245 A N 1.555 124.228 122.820 -0.246 0.000 1.873 245 A HA -0.168 4.154 4.320 0.003 0.000 0.215 245 A C 2.066 179.514 177.584 -0.227 0.000 1.186 245 A CA 1.650 53.569 52.037 -0.196 0.000 0.616 245 A CB -0.485 18.432 19.000 -0.139 0.000 0.823 245 A HN 0.382 nan 8.150 nan 0.000 0.442 246 K N -0.351 119.915 120.400 -0.224 0.000 2.032 246 K HA -0.141 4.181 4.320 0.003 0.000 0.209 246 K C 1.823 178.216 176.600 -0.345 0.000 1.048 246 K CA 1.652 57.765 56.287 -0.290 0.000 0.927 246 K CB -0.256 32.144 32.500 -0.167 0.000 0.712 246 K HN 0.384 nan 8.250 nan 0.000 0.441 247 I N 1.192 121.614 120.570 -0.246 0.000 2.142 247 I HA -0.222 3.950 4.170 0.003 0.000 0.240 247 I C 2.261 178.254 176.117 -0.206 0.000 1.078 247 I CA 1.520 62.668 61.300 -0.252 0.000 1.343 247 I CB -1.657 36.292 38.000 -0.085 0.000 1.046 247 I HN 0.231 nan 8.210 nan 0.000 0.405 248 T N 0.969 115.425 114.554 -0.163 0.000 2.699 248 T HA -0.251 4.101 4.350 0.003 0.000 0.268 248 T C 1.991 176.627 174.700 -0.106 0.000 1.036 248 T CA 1.799 63.850 62.100 -0.082 0.000 1.147 248 T CB -0.201 68.612 68.868 -0.092 0.000 0.862 248 T HN 0.303 nan 8.240 nan 0.000 0.446 249 K N -0.398 119.887 120.400 -0.192 0.000 2.057 249 K HA -0.124 4.198 4.320 0.003 0.000 0.207 249 K C 2.017 178.519 176.600 -0.163 0.000 1.049 249 K CA 1.331 57.494 56.287 -0.207 0.000 0.931 249 K CB -0.191 32.120 32.500 -0.315 0.000 0.714 249 K HN 0.341 nan 8.250 nan 0.000 0.440 250 Y N 1.045 121.226 120.300 -0.198 0.000 2.242 250 Y HA -0.113 4.439 4.550 0.004 0.000 0.291 250 Y C 2.000 177.844 175.900 -0.092 0.000 1.137 250 Y CA 0.866 58.856 58.100 -0.182 0.000 1.181 250 Y CB -0.278 37.900 38.460 -0.470 0.000 0.989 250 Y HN 0.003 nan 8.280 nan 0.000 0.527 251 L N -0.302 120.944 121.223 0.038 0.000 2.017 251 L HA -0.210 4.132 4.340 0.003 0.000 0.208 251 L C 2.192 179.098 176.870 0.059 0.000 1.073 251 L CA 1.575 56.460 54.840 0.075 0.000 0.745 251 L CB -0.580 41.519 42.059 0.068 0.000 0.894 251 L HN 0.237 nan 8.230 nan 0.000 0.432 252 E N -0.265 119.951 120.200 0.027 0.000 2.204 252 E HA -0.253 4.099 4.350 0.003 0.000 0.195 252 E C 2.230 178.845 176.600 0.025 0.000 0.990 252 E CA 0.753 57.163 56.400 0.016 0.000 0.821 252 E CB -0.114 29.582 29.700 -0.005 0.000 0.750 252 E HN 0.357 nan 8.360 nan 0.000 0.477 253 R N 0.922 121.450 120.500 0.048 0.000 2.062 253 R HA -0.133 4.209 4.340 0.003 0.000 0.229 253 R C 1.089 177.425 176.300 0.059 0.000 1.128 253 R CA 1.660 57.799 56.100 0.066 0.000 0.960 253 R CB 0.181 30.555 30.300 0.124 0.000 0.855 253 R HN 0.075 nan 8.270 nan 0.000 0.432 254 D N -0.066 120.383 120.400 0.082 0.000 2.346 254 D HA 0.093 4.735 4.640 0.003 0.000 0.206 254 D C 0.415 176.708 176.300 -0.011 0.000 1.001 254 D CA 0.355 54.373 54.000 0.030 0.000 0.871 254 D CB 0.440 41.311 40.800 0.118 0.000 0.943 254 D HN 0.192 nan 8.370 nan 0.000 0.518 255 L N 0.523 121.759 121.223 0.022 0.000 2.344 255 L HA 0.500 4.842 4.340 0.003 0.000 0.272 255 L C 1.082 177.951 176.870 -0.001 0.000 1.035 255 L CA -1.100 53.747 54.840 0.012 0.000 0.807 255 L CB 1.561 43.640 42.059 0.034 0.000 1.237 255 L HN -0.136 nan 8.230 nan 0.000 0.442 256 G N -0.155 108.642 108.800 -0.005 0.000 2.483 256 G HA2 0.193 4.155 3.960 0.003 0.000 0.248 256 G HA3 0.193 4.155 3.960 0.003 0.000 0.248 256 G C 0.979 175.877 174.900 -0.002 0.000 1.248 256 G CA 0.069 45.164 45.100 -0.008 0.000 0.838 256 G HN 0.817 nan 8.290 nan 0.000 0.566 257 S N 0.706 116.403 115.700 -0.004 0.000 2.400 257 S HA -0.192 4.280 4.470 0.003 0.000 0.232 257 S C 1.823 176.421 174.600 -0.003 0.000 1.025 257 S CA 1.604 59.803 58.200 -0.002 0.000 0.993 257 S CB -0.129 63.068 63.200 -0.003 0.000 0.808 257 S HN 0.790 nan 8.310 nan 0.000 0.478 258 E N 2.714 122.910 120.200 -0.005 0.000 2.358 258 E HA -0.155 4.197 4.350 0.003 0.000 0.195 258 E C 1.436 178.030 176.600 -0.009 0.000 1.010 258 E CA 0.489 56.884 56.400 -0.008 0.000 0.856 258 E CB -0.331 29.364 29.700 -0.010 0.000 0.795 258 E HN 0.789 nan 8.360 nan 0.000 0.504 259 R N 0.132 120.628 120.500 -0.006 0.000 2.507 259 R HA 0.307 4.649 4.340 0.003 0.000 0.298 259 R C 1.110 177.407 176.300 -0.005 0.000 0.999 259 R CA -0.328 55.767 56.100 -0.008 0.000 1.082 259 R CB -0.071 30.229 30.300 -0.000 0.000 1.246 259 R HN 0.034 nan 8.270 nan 0.000 0.553 260 M N 0.791 120.391 119.600 -0.001 0.000 2.686 260 M HA 0.032 4.514 4.480 0.003 0.000 0.246 260 M C 0.666 176.964 176.300 -0.002 0.000 1.096 260 M CA 1.051 56.356 55.300 0.007 0.000 1.076 260 M CB -0.203 32.405 32.600 0.013 0.000 1.504 260 M HN 0.090 nan 8.290 nan 0.000 0.524 261 E N -0.096 120.094 120.200 -0.017 0.000 2.413 261 E HA 0.277 4.629 4.350 0.003 0.000 0.203 261 E C 0.712 177.278 176.600 -0.056 0.000 0.957 261 E CA 0.026 56.407 56.400 -0.032 0.000 0.950 261 E CB 0.494 30.176 29.700 -0.030 0.000 0.957 261 E HN 0.405 nan 8.360 nan 0.000 0.497 262 L N 3.907 125.096 121.223 -0.058 0.000 2.483 262 L HA 0.067 4.409 4.340 0.003 0.000 0.275 262 L C -1.659 175.155 176.870 -0.093 0.000 1.220 262 L CA -1.131 53.655 54.840 -0.090 0.000 0.833 262 L CB -0.214 41.794 42.059 -0.086 0.000 1.102 262 L HN -0.056 nan 8.230 nan 0.000 0.490 263 P HA 0.256 nan 4.420 nan 0.000 0.277 263 P C -1.181 176.106 177.300 -0.021 0.000 1.276 263 P CA -0.449 62.610 63.100 -0.068 0.000 0.788 263 P CB 1.039 32.716 31.700 -0.039 0.000 1.114 264 A N 0.045 122.924 122.820 0.098 0.000 2.386 264 A HA 0.729 5.051 4.320 0.003 0.000 0.308 264 A C -0.577 177.162 177.584 0.258 0.000 1.128 264 A CA -0.897 51.215 52.037 0.125 0.000 0.789 264 A CB 0.872 19.940 19.000 0.114 0.000 1.325 264 A HN 0.439 nan 8.150 nan 0.000 0.437 265 I N 1.724 122.396 120.570 0.170 0.000 2.390 265 I HA 0.361 4.533 4.170 0.003 0.000 0.283 265 I C -0.704 175.438 176.117 0.041 0.000 1.016 265 I CA -0.074 61.320 61.300 0.157 0.000 1.151 265 I CB 1.235 39.308 38.000 0.122 0.000 1.293 265 I HN 0.607 nan 8.210 nan 0.000 0.458 266 I N 6.182 126.790 120.570 0.063 0.000 2.377 266 I HA 0.745 4.917 4.170 0.003 0.000 0.293 266 I C -0.403 175.681 176.117 -0.055 0.000 0.987 266 I CA -0.266 61.072 61.300 0.063 0.000 1.185 266 I CB 1.238 39.376 38.000 0.230 0.000 1.341 266 I HN 0.627 nan 8.210 nan 0.000 0.455 267 A N 5.006 127.765 122.820 -0.101 0.000 2.343 267 A HA 0.706 5.028 4.320 0.003 0.000 0.316 267 A C -0.597 176.979 177.584 -0.015 0.000 1.104 267 A CA -0.387 51.520 52.037 -0.217 0.000 0.768 267 A CB 1.175 19.983 19.000 -0.321 0.000 1.213 267 A HN 0.745 nan 8.150 nan 0.000 0.456 268 S N 1.234 116.994 115.700 0.100 0.000 2.312 268 S HA 0.648 5.120 4.470 0.003 0.000 0.173 268 S C -0.498 174.195 174.600 0.156 0.000 1.488 268 S CA 0.134 58.429 58.200 0.159 0.000 1.239 268 S CB -0.011 63.344 63.200 0.259 0.000 1.215 268 S HN 1.841 nan 8.310 nan 0.000 0.438 269 S N 1.701 117.481 115.700 0.133 0.000 2.607 269 S HA 0.680 5.152 4.470 0.003 0.000 0.273 269 S C -0.449 174.240 174.600 0.150 0.000 1.148 269 S CA -1.263 57.008 58.200 0.118 0.000 0.833 269 S CB 1.039 64.275 63.200 0.060 0.000 1.130 269 S HN 0.690 nan 8.310 nan 0.000 0.470 270 R N -0.229 120.326 120.500 0.092 0.000 2.756 270 R HA 0.171 4.513 4.340 0.003 0.000 0.264 270 R C -0.706 175.629 176.300 0.058 0.000 1.026 270 R CA -0.312 55.816 56.100 0.047 0.000 1.121 270 R CB -0.122 30.197 30.300 0.033 0.000 0.999 270 R HN 0.452 nan 8.270 nan 0.000 0.449 271 L N 3.005 124.179 121.223 -0.082 0.000 2.387 271 L HA 0.112 4.454 4.340 0.003 0.000 0.267 271 L C -0.207 176.629 176.870 -0.057 0.000 1.197 271 L CA 0.481 55.203 54.840 -0.196 0.000 1.070 271 L CB -0.383 41.474 42.059 -0.336 0.000 1.349 271 L HN 0.516 nan 8.230 nan 0.000 0.422 272 D N -0.795 119.624 120.400 0.031 0.000 2.340 272 D HA 0.223 4.865 4.640 0.003 0.000 0.240 272 D C 0.834 177.182 176.300 0.079 0.000 1.001 272 D CA -0.454 53.575 54.000 0.047 0.000 0.888 272 D CB 1.381 42.213 40.800 0.054 0.000 1.310 272 D HN 0.294 nan 8.370 nan 0.000 0.474 273 Q N 1.220 121.072 119.800 0.087 0.000 2.135 273 Q HA -0.182 4.160 4.340 0.003 0.000 0.204 273 Q C 1.401 177.510 176.000 0.182 0.000 0.981 273 Q CA 1.302 57.186 55.803 0.135 0.000 0.856 273 Q CB 0.018 28.836 28.738 0.134 0.000 0.902 273 Q HN 0.525 nan 8.270 nan 0.000 0.425 274 K N 0.653 121.153 120.400 0.165 0.000 2.103 274 K HA -0.176 4.146 4.320 0.003 0.000 0.207 274 K C 1.957 178.548 176.600 -0.015 0.000 1.048 274 K CA 1.067 57.466 56.287 0.187 0.000 0.930 274 K CB -0.047 32.543 32.500 0.149 0.000 0.716 274 K HN -0.090 nan 8.250 nan 0.000 0.444 275 K N 0.984 121.368 120.400 -0.026 0.000 2.280 275 K HA -0.114 4.208 4.320 0.003 0.000 0.202 275 K C 0.208 176.646 176.600 -0.271 0.000 1.047 275 K CA 0.556 56.775 56.287 -0.114 0.000 0.942 275 K CB -0.496 32.017 32.500 0.021 0.000 0.739 275 K HN 0.161 nan 8.250 nan 0.000 0.457 276 N N 0.039 118.581 118.700 -0.264 0.000 2.725 276 N HA -0.227 4.515 4.740 0.003 0.000 0.251 276 N C -0.256 175.154 175.510 -0.166 0.000 1.031 276 N CA 0.683 53.518 53.050 -0.358 0.000 0.720 276 N CB -1.505 36.347 38.487 -1.057 0.000 0.930 276 N HN 0.409 nan 8.380 nan 0.000 0.543 277 H N -1.178 117.830 119.070 -0.103 0.000 2.421 277 H HA -0.081 4.477 4.556 0.003 0.000 0.298 277 H C 1.458 176.757 175.328 -0.048 0.000 1.087 277 H CA 2.037 58.030 56.048 -0.092 0.000 1.330 277 H CB -0.216 29.496 29.762 -0.084 0.000 1.388 277 H HN 0.585 nan 8.280 nan 0.000 0.526 278 Y N 0.649 120.979 120.300 0.049 0.000 2.081 278 Y HA -0.255 4.298 4.550 0.005 0.000 0.280 278 Y C 2.694 178.611 175.900 0.029 0.000 1.163 278 Y CA 1.837 59.961 58.100 0.041 0.000 1.135 278 Y CB -0.685 37.812 38.460 0.062 0.000 0.970 278 Y HN 0.216 nan 8.280 nan 0.000 0.498 279 G N -0.265 108.604 108.800 0.114 0.000 2.432 279 G HA2 -0.269 3.693 3.960 0.003 0.000 0.219 279 G HA3 -0.269 3.693 3.960 0.003 0.000 0.219 279 G C 1.556 176.424 174.900 -0.053 0.000 1.135 279 G CA 1.001 46.130 45.100 0.048 0.000 0.767 279 G HN 0.446 nan 8.290 nan 0.000 0.550 280 L N 0.846 122.015 121.223 -0.089 0.000 2.027 280 L HA 0.045 4.387 4.340 0.003 0.000 0.206 280 L C 2.878 179.717 176.870 -0.052 0.000 1.074 280 L CA 1.439 56.225 54.840 -0.090 0.000 0.745 280 L CB -0.568 41.398 42.059 -0.156 0.000 0.898 280 L HN 0.065 nan 8.230 nan 0.000 0.433 281 V N -0.109 119.750 119.914 -0.091 0.000 2.490 281 V HA -0.266 3.856 4.120 0.003 0.000 0.250 281 V C 2.561 178.609 176.094 -0.076 0.000 1.061 281 V CA 1.875 64.134 62.300 -0.067 0.000 1.064 281 V CB -0.763 30.989 31.823 -0.119 0.000 0.670 281 V HN 0.616 nan 8.190 nan 0.000 0.461 282 E N 0.539 120.614 120.200 -0.209 0.000 2.072 282 E HA -0.171 4.181 4.350 0.003 0.000 0.190 282 E C 2.228 178.798 176.600 -0.050 0.000 0.982 282 E CA 1.188 57.479 56.400 -0.181 0.000 0.803 282 E CB -0.216 29.337 29.700 -0.245 0.000 0.755 282 E HN 0.553 nan 8.360 nan 0.000 0.453 283 A N 0.176 122.987 122.820 -0.015 0.000 1.930 283 A HA -0.183 4.139 4.320 0.003 0.000 0.217 283 A C 2.008 179.613 177.584 0.035 0.000 1.175 283 A CA 1.339 53.385 52.037 0.015 0.000 0.627 283 A CB -0.803 18.212 19.000 0.026 0.000 0.815 283 A HN 0.577 nan 8.150 nan 0.000 0.443 284 Y N 0.907 121.181 120.300 -0.043 0.000 2.220 284 Y HA -0.135 4.417 4.550 0.003 0.000 0.291 284 Y C 2.357 178.242 175.900 -0.026 0.000 1.129 284 Y CA 2.042 60.126 58.100 -0.026 0.000 1.161 284 Y CB -0.130 38.315 38.460 -0.026 0.000 0.997 284 Y HN 0.187 nan 8.280 nan 0.000 0.522 285 V N -1.581 118.314 119.914 -0.031 0.000 3.041 285 V HA -0.120 4.002 4.120 0.003 0.000 0.260 285 V C 1.237 177.261 176.094 -0.118 0.000 1.105 285 V CA 1.643 63.888 62.300 -0.092 0.000 1.125 285 V CB -0.577 31.259 31.823 0.021 0.000 0.730 285 V HN 0.478 nan 8.190 nan 0.000 0.479 286 Q N 1.098 120.841 119.800 -0.094 0.000 2.280 286 Q HA 0.262 4.604 4.340 0.003 0.000 0.201 286 Q C 0.291 176.240 176.000 -0.084 0.000 0.890 286 Q CA -0.027 55.735 55.803 -0.069 0.000 0.947 286 Q CB 0.160 28.878 28.738 -0.034 0.000 1.081 286 Q HN 0.682 nan 8.270 nan 0.000 0.502 287 N N 1.243 119.860 118.700 -0.139 0.000 2.573 287 N HA 0.059 4.801 4.740 0.003 0.000 0.262 287 N C 0.354 175.754 175.510 -0.183 0.000 1.029 287 N CA -0.022 52.953 53.050 -0.126 0.000 0.882 287 N CB 1.010 39.442 38.487 -0.092 0.000 1.204 287 N HN 0.098 nan 8.380 nan 0.000 0.519 288 K N 1.900 122.220 120.400 -0.134 0.000 2.148 288 K HA -0.123 4.198 4.320 0.003 0.000 0.204 288 K C 1.282 177.811 176.600 -0.118 0.000 1.050 288 K CA 0.907 57.114 56.287 -0.134 0.000 0.942 288 K CB 0.310 32.757 32.500 -0.087 0.000 0.724 288 K HN 0.514 nan 8.250 nan 0.000 0.446 289 E N 1.275 121.424 120.200 -0.086 0.000 2.047 289 E HA -0.190 4.162 4.350 0.003 0.000 0.191 289 E C 2.070 178.624 176.600 -0.076 0.000 0.987 289 E CA 0.683 57.046 56.400 -0.062 0.000 0.799 289 E CB -0.022 29.660 29.700 -0.029 0.000 0.752 289 E HN 0.272 nan 8.360 nan 0.000 0.449 290 L N 1.675 122.849 121.223 -0.082 0.000 2.012 290 L HA -0.243 4.098 4.340 0.003 0.000 0.210 290 L C 2.527 179.324 176.870 -0.122 0.000 1.073 290 L CA 2.339 57.142 54.840 -0.063 0.000 0.748 290 L CB -0.658 41.392 42.059 -0.015 0.000 0.891 290 L HN 0.310 nan 8.230 nan 0.000 0.431 291 Q N -2.319 117.311 119.800 -0.282 0.000 2.297 291 Q HA -0.154 4.187 4.340 0.003 0.000 0.204 291 Q C 1.130 177.070 176.000 -0.098 0.000 0.962 291 Q CA 1.345 56.981 55.803 -0.279 0.000 0.879 291 Q CB -0.390 27.986 28.738 -0.604 0.000 0.947 291 Q HN 0.434 nan 8.270 nan 0.000 0.462 292 D N 1.386 121.722 120.400 -0.107 0.000 2.277 292 D HA -0.061 4.581 4.640 0.003 0.000 0.208 292 D C 1.453 177.700 176.300 -0.087 0.000 0.962 292 D CA 0.893 54.847 54.000 -0.076 0.000 0.865 292 D CB 0.166 40.925 40.800 -0.068 0.000 0.939 292 D HN 0.385 nan 8.370 nan 0.000 0.510 293 K N -0.429 119.897 120.400 -0.122 0.000 2.352 293 K HA 0.298 4.620 4.320 0.003 0.000 0.194 293 K C 0.024 176.442 176.600 -0.304 0.000 1.038 293 K CA 0.141 56.308 56.287 -0.200 0.000 1.023 293 K CB 0.673 33.041 32.500 -0.220 0.000 0.840 293 K HN 0.007 nan 8.250 nan 0.000 0.519 294 A N 0.213 122.912 122.820 -0.201 0.000 2.586 294 A HA 0.459 4.781 4.320 0.003 0.000 0.290 294 A C -1.762 175.847 177.584 0.041 0.000 1.086 294 A CA -0.995 50.927 52.037 -0.192 0.000 0.665 294 A CB 0.926 19.635 19.000 -0.485 0.000 1.279 294 A HN 0.298 nan 8.150 nan 0.000 0.423 295 N N -0.658 118.039 118.700 -0.005 0.000 2.430 295 N HA 0.591 5.333 4.740 0.003 0.000 0.298 295 N C -1.062 174.347 175.510 -0.169 0.000 1.130 295 N CA -0.580 52.462 53.050 -0.014 0.000 0.894 295 N CB 1.830 40.321 38.487 0.007 0.000 1.209 295 N HN 0.519 nan 8.380 nan 0.000 0.503 296 L N 2.104 123.084 121.223 -0.405 0.000 2.282 296 L HA 0.502 4.844 4.340 0.003 0.000 0.288 296 L C -1.283 175.485 176.870 -0.169 0.000 1.033 296 L CA -0.519 54.044 54.840 -0.461 0.000 0.807 296 L CB 1.200 42.726 42.059 -0.888 0.000 1.209 296 L HN 0.275 nan 8.230 nan 0.000 0.423 297 V N 6.901 126.765 119.914 -0.084 0.000 2.378 297 V HA 0.431 4.553 4.120 0.003 0.000 0.288 297 V C -0.275 175.762 176.094 -0.094 0.000 1.016 297 V CA -0.512 61.779 62.300 -0.014 0.000 0.840 297 V CB 1.498 33.387 31.823 0.110 0.000 0.994 297 V HN 0.558 nan 8.190 nan 0.000 0.431 298 L N 5.312 126.443 121.223 -0.154 0.000 2.316 298 L HA 0.504 4.846 4.340 0.003 0.000 0.280 298 L C 0.571 177.231 176.870 -0.350 0.000 1.006 298 L CA -0.395 54.345 54.840 -0.167 0.000 0.836 298 L CB 1.947 43.946 42.059 -0.099 0.000 1.221 298 L HN 0.736 nan 8.230 nan 0.000 0.418 299 T N 1.290 115.628 114.554 -0.360 0.000 2.910 299 T HA 0.698 5.050 4.350 0.003 0.000 0.293 299 T C 0.029 174.560 174.700 -0.282 0.000 1.015 299 T CA -0.502 61.295 62.100 -0.505 0.000 1.094 299 T CB 1.481 70.134 68.868 -0.359 0.000 0.968 299 T HN 0.345 nan 8.240 nan 0.000 0.521 300 L N 0.933 121.988 121.223 -0.279 0.000 2.216 300 L HA 0.776 5.117 4.340 0.003 0.000 0.260 300 L C -0.037 176.774 176.870 -0.099 0.000 1.036 300 L CA -1.691 53.044 54.840 -0.175 0.000 0.914 300 L CB 1.419 43.368 42.059 -0.182 0.000 1.501 300 L HN 0.503 nan 8.230 nan 0.000 0.485 301 R N -0.732 119.728 120.500 -0.066 0.000 2.483 301 R HA 0.530 4.872 4.340 0.003 0.000 0.303 301 R C 0.254 176.547 176.300 -0.012 0.000 0.987 301 R CA 0.395 56.480 56.100 -0.024 0.000 0.881 301 R CB 1.412 31.706 30.300 -0.011 0.000 1.177 301 R HN 0.821 nan 8.270 nan 0.000 0.451 302 G N 3.034 111.839 108.800 0.008 0.000 2.990 302 G HA2 -0.331 3.631 3.960 0.003 0.000 0.225 302 G HA3 -0.331 3.631 3.960 0.003 0.000 0.225 302 G C 0.327 175.240 174.900 0.022 0.000 1.304 302 G CA 0.021 45.133 45.100 0.020 0.000 0.816 302 G HN 0.492 nan 8.290 nan 0.000 0.528 303 I N 2.069 122.641 120.570 0.003 0.000 2.618 303 I HA 0.153 4.325 4.170 0.003 0.000 0.284 303 I C 1.590 177.711 176.117 0.006 0.000 1.146 303 I CA -0.236 61.070 61.300 0.010 0.000 1.425 303 I CB 0.932 38.927 38.000 -0.008 0.000 1.383 303 I HN 0.194 nan 8.210 nan 0.000 0.562 304 E N 3.928 124.155 120.200 0.045 0.000 2.030 304 E HA -0.050 4.302 4.350 0.003 0.000 0.189 304 E C 0.323 176.955 176.600 0.053 0.000 0.974 304 E CA 1.112 57.554 56.400 0.070 0.000 0.807 304 E CB 0.041 29.820 29.700 0.132 0.000 0.771 304 E HN 0.572 nan 8.360 nan 0.000 0.451 305 N N -0.005 118.746 118.700 0.085 0.000 2.664 305 N HA 0.090 4.832 4.740 0.003 0.000 0.268 305 N C -2.411 173.167 175.510 0.113 0.000 1.222 305 N CA -1.458 51.663 53.050 0.118 0.000 0.805 305 N CB 1.516 40.117 38.487 0.190 0.000 1.399 305 N HN -0.243 nan 8.380 nan 0.000 0.547 306 P HA -0.052 nan 4.420 nan 0.000 0.225 306 P C 0.932 178.288 177.300 0.094 0.000 1.148 306 P CA 0.729 63.854 63.100 0.042 0.000 0.779 306 P CB 0.027 31.535 31.700 -0.320 0.000 0.780 307 F N 0.520 120.547 119.950 0.129 0.000 2.604 307 F HA -0.014 4.515 4.527 0.003 0.000 0.298 307 F C 2.274 178.143 175.800 0.115 0.000 1.131 307 F CA 0.959 59.029 58.000 0.117 0.000 1.457 307 F CB -0.305 38.741 39.000 0.077 0.000 1.095 307 F HN -0.064 nan 8.300 nan 0.000 0.574 308 E N -0.953 119.405 120.200 0.263 0.000 2.332 308 E HA 0.096 4.448 4.350 0.003 0.000 0.202 308 E C -0.317 176.344 176.600 0.101 0.000 0.877 308 E CA 0.517 57.016 56.400 0.165 0.000 0.979 308 E CB 0.497 30.283 29.700 0.142 0.000 0.969 308 E HN 0.269 nan 8.360 nan 0.000 0.495 309 D N -0.960 119.509 120.400 0.115 0.000 2.747 309 D HA 0.054 4.696 4.640 0.003 0.000 0.218 309 D C -1.607 174.754 176.300 0.102 0.000 1.230 309 D CA -0.511 53.500 54.000 0.017 0.000 0.774 309 D CB 0.267 41.067 40.800 -0.000 0.000 1.667 309 D HN 0.028 nan 8.370 nan 0.000 0.499 310 Y N 1.323 121.611 120.300 -0.021 0.000 2.685 310 Y HA 0.458 5.010 4.550 0.002 0.000 0.257 310 Y C 0.856 176.740 175.900 -0.026 0.000 1.053 310 Y CA -0.683 57.395 58.100 -0.037 0.000 1.106 310 Y CB -0.012 38.406 38.460 -0.070 0.000 1.193 310 Y HN 0.147 nan 8.280 nan 0.000 0.602 311 S N 0.565 116.229 115.700 -0.060 0.000 2.400 311 S HA -0.211 4.261 4.470 0.003 0.000 0.232 311 S C 1.916 176.523 174.600 0.011 0.000 1.025 311 S CA 1.633 59.800 58.200 -0.055 0.000 0.993 311 S CB -0.167 62.998 63.200 -0.059 0.000 0.808 311 S HN 0.652 nan 8.310 nan 0.000 0.478 312 R N 1.381 121.901 120.500 0.034 0.000 2.280 312 R HA 0.142 4.484 4.340 0.003 0.000 0.207 312 R C 0.602 176.928 176.300 0.043 0.000 1.043 312 R CA 0.311 56.431 56.100 0.035 0.000 1.006 312 R CB -0.165 30.155 30.300 0.034 0.000 0.885 312 R HN 0.365 nan 8.270 nan 0.000 0.467 313 A N 0.039 122.903 122.820 0.074 0.000 2.351 313 A HA 0.502 4.824 4.320 0.003 0.000 0.257 313 A C 0.341 177.957 177.584 0.053 0.000 1.087 313 A CA -0.032 52.044 52.037 0.066 0.000 0.798 313 A CB 0.666 19.731 19.000 0.109 0.000 1.033 313 A HN 0.397 nan 8.150 nan 0.000 0.488 314 G N -0.877 107.942 108.800 0.032 0.000 2.547 314 G HA2 0.378 4.340 3.960 0.003 0.000 0.291 314 G HA3 0.378 4.340 3.960 0.003 0.000 0.291 314 G C 0.644 175.563 174.900 0.032 0.000 1.211 314 G CA 0.261 45.377 45.100 0.027 0.000 0.950 314 G HN 0.798 nan 8.290 nan 0.000 0.504 315 Q N -0.230 119.586 119.800 0.027 0.000 2.012 315 Q HA -0.239 4.103 4.340 0.003 0.000 0.211 315 Q C 2.286 178.299 176.000 0.023 0.000 1.009 315 Q CA 2.953 58.773 55.803 0.028 0.000 0.866 315 Q CB -0.584 28.167 28.738 0.022 0.000 0.945 315 Q HN 0.811 nan 8.270 nan 0.000 0.414 316 E N -0.391 119.818 120.200 0.014 0.000 2.049 316 E HA -0.267 4.085 4.350 0.003 0.000 0.198 316 E C 1.887 178.479 176.600 -0.014 0.000 1.007 316 E CA 1.693 58.096 56.400 0.005 0.000 0.809 316 E CB -0.181 29.524 29.700 0.008 0.000 0.749 316 E HN 0.575 nan 8.360 nan 0.000 0.450 317 E N 0.568 120.754 120.200 -0.024 0.000 2.049 317 E HA -0.284 4.068 4.350 0.003 0.000 0.198 317 E C 2.218 178.772 176.600 -0.077 0.000 1.007 317 E CA 1.547 57.906 56.400 -0.068 0.000 0.809 317 E CB -0.263 29.404 29.700 -0.056 0.000 0.749 317 E HN 0.247 nan 8.360 nan 0.000 0.450 318 K N 1.363 121.771 120.400 0.014 0.000 2.044 318 K HA -0.261 4.061 4.320 0.003 0.000 0.210 318 K C 1.940 178.568 176.600 0.047 0.000 1.049 318 K CA 1.845 58.197 56.287 0.108 0.000 0.927 318 K CB -0.049 32.562 32.500 0.185 0.000 0.713 318 K HN 0.094 nan 8.250 nan 0.000 0.443 319 E N 0.501 120.717 120.200 0.026 0.000 2.058 319 E HA -0.199 4.153 4.350 0.003 0.000 0.194 319 E C 2.186 178.778 176.600 -0.013 0.000 0.997 319 E CA 1.697 58.106 56.400 0.016 0.000 0.801 319 E CB -0.170 29.536 29.700 0.009 0.000 0.746 319 E HN 0.407 nan 8.360 nan 0.000 0.450 320 I N 0.983 121.527 120.570 -0.043 0.000 2.142 320 I HA -0.305 3.867 4.170 0.003 0.000 0.240 320 I C 2.451 178.503 176.117 -0.110 0.000 1.078 320 I CA 1.036 62.307 61.300 -0.048 0.000 1.343 320 I CB -0.253 37.697 38.000 -0.083 0.000 1.046 320 I HN 0.114 nan 8.210 nan 0.000 0.405 321 L N 0.390 121.462 121.223 -0.252 0.000 2.012 321 L HA -0.191 4.151 4.340 0.003 0.000 0.210 321 L C 2.704 179.367 176.870 -0.344 0.000 1.073 321 L CA 1.730 56.300 54.840 -0.449 0.000 0.748 321 L CB -1.314 40.224 42.059 -0.870 0.000 0.891 321 L HN 0.358 nan 8.230 nan 0.000 0.431 322 G N 0.143 108.830 108.800 -0.188 0.000 2.476 322 G HA2 -0.274 3.688 3.960 0.003 0.000 0.218 322 G HA3 -0.274 3.688 3.960 0.003 0.000 0.218 322 G C 1.669 176.593 174.900 0.039 0.000 1.164 322 G CA 0.843 45.955 45.100 0.020 0.000 0.768 322 G HN 0.337 nan 8.290 nan 0.000 0.560 323 K N -0.117 120.318 120.400 0.059 0.000 2.148 323 K HA 0.105 4.427 4.320 0.003 0.000 0.204 323 K C 2.438 179.139 176.600 0.169 0.000 1.050 323 K CA 0.686 57.068 56.287 0.158 0.000 0.942 323 K CB -0.182 32.443 32.500 0.208 0.000 0.724 323 K HN 0.341 nan 8.250 nan 0.000 0.446 324 I N 1.141 121.751 120.570 0.067 0.000 2.179 324 I HA -0.286 3.885 4.170 0.003 0.000 0.242 324 I C 2.214 178.333 176.117 0.004 0.000 1.088 324 I CA 1.369 62.666 61.300 -0.004 0.000 1.357 324 I CB -0.296 37.645 38.000 -0.098 0.000 1.051 324 I HN 0.111 nan 8.210 nan 0.000 0.409 325 I N 0.422 120.981 120.570 -0.018 0.000 2.286 325 I HA -0.281 3.891 4.170 0.003 0.000 0.248 325 I C 2.560 178.749 176.117 0.121 0.000 1.115 325 I CA 1.321 62.664 61.300 0.072 0.000 1.392 325 I CB -0.448 37.583 38.000 0.052 0.000 1.065 325 I HN 0.313 nan 8.210 nan 0.000 0.418 326 E N 1.172 121.433 120.200 0.101 0.000 2.031 326 E HA -0.243 4.109 4.350 0.003 0.000 0.193 326 E C 2.235 178.892 176.600 0.095 0.000 0.994 326 E CA 1.370 57.833 56.400 0.105 0.000 0.800 326 E CB 0.075 29.844 29.700 0.114 0.000 0.752 326 E HN 0.237 nan 8.360 nan 0.000 0.447 327 L N 0.838 122.110 121.223 0.082 0.000 2.042 327 L HA -0.208 4.133 4.340 0.003 0.000 0.210 327 L C 2.292 179.196 176.870 0.056 0.000 1.076 327 L CA 1.517 56.383 54.840 0.042 0.000 0.749 327 L CB -0.560 41.466 42.059 -0.054 0.000 0.893 327 L HN 0.290 nan 8.230 nan 0.000 0.432 328 I N -0.852 119.771 120.570 0.088 0.000 2.315 328 I HA -0.252 3.920 4.170 0.003 0.000 0.248 328 I C 1.954 178.129 176.117 0.098 0.000 1.117 328 I CA 1.027 62.398 61.300 0.118 0.000 1.404 328 I CB -0.461 37.656 38.000 0.194 0.000 1.071 328 I HN 0.263 nan 8.210 nan 0.000 0.419 329 D N 0.932 121.395 120.400 0.104 0.000 2.123 329 D HA -0.114 4.528 4.640 0.003 0.000 0.200 329 D C 1.781 178.115 176.300 0.057 0.000 0.976 329 D CA 1.039 55.087 54.000 0.081 0.000 0.831 329 D CB -0.409 40.447 40.800 0.094 0.000 0.974 329 D HN 0.317 nan 8.370 nan 0.000 0.469 330 N N 0.948 119.683 118.700 0.057 0.000 2.512 330 N HA -0.043 4.699 4.740 0.003 0.000 0.183 330 N C 0.717 176.246 175.510 0.032 0.000 1.073 330 N CA 0.430 53.507 53.050 0.044 0.000 0.911 330 N CB 0.039 38.556 38.487 0.049 0.000 0.964 330 N HN 0.252 nan 8.380 nan 0.000 0.447 331 N N 0.845 119.563 118.700 0.031 0.000 2.187 331 N HA 0.004 4.746 4.740 0.003 0.000 0.212 331 N C -0.957 174.561 175.510 0.012 0.000 1.152 331 N CA -0.055 53.004 53.050 0.015 0.000 0.872 331 N CB 0.740 39.233 38.487 0.009 0.000 1.025 331 N HN -0.022 nan 8.380 nan 0.000 0.514 332 D N -0.223 120.190 120.400 0.022 0.000 3.003 332 D HA -0.177 4.465 4.640 0.003 0.000 0.223 332 D C -0.131 176.179 176.300 0.017 0.000 1.204 332 D CA 0.449 54.458 54.000 0.015 0.000 0.828 332 D CB -1.130 39.672 40.800 0.004 0.000 0.918 332 D HN 0.311 nan 8.370 nan 0.000 0.401 333 C N 1.272 120.595 119.300 0.039 0.000 3.525 333 C HA 0.138 4.600 4.460 0.003 0.000 0.289 333 C C 1.009 176.029 174.990 0.049 0.000 1.496 333 C CA -0.481 58.579 59.018 0.069 0.000 1.804 333 C CB -0.291 27.532 27.740 0.139 0.000 2.708 333 C HN 0.389 nan 8.230 nan 0.000 0.642 334 R N 0.756 121.252 120.500 -0.008 0.000 2.623 334 R HA 0.395 4.736 4.340 0.003 0.000 0.271 334 R C 1.380 177.627 176.300 -0.087 0.000 1.043 334 R CA 1.316 57.349 56.100 -0.111 0.000 1.083 334 R CB 0.082 30.297 30.300 -0.142 0.000 0.974 334 R HN 0.540 nan 8.270 nan 0.000 0.436 335 G N 1.748 110.474 108.800 -0.123 0.000 2.234 335 G HA2 -0.233 3.729 3.960 0.003 0.000 0.235 335 G HA3 -0.233 3.729 3.960 0.003 0.000 0.235 335 G C 0.767 175.661 174.900 -0.010 0.000 0.997 335 G CA -0.135 44.928 45.100 -0.063 0.000 0.623 335 G HN 0.493 nan 8.290 nan 0.000 0.514 336 K N -0.024 120.393 120.400 0.027 0.000 2.355 336 K HA 0.503 4.825 4.320 0.003 0.000 0.198 336 K C 0.559 177.200 176.600 0.068 0.000 1.039 336 K CA 0.447 56.791 56.287 0.096 0.000 1.075 336 K CB 1.574 34.196 32.500 0.204 0.000 0.870 336 K HN 0.400 nan 8.250 nan 0.000 0.540 337 V N 0.453 120.393 119.914 0.044 0.000 2.864 337 V HA 0.470 4.592 4.120 0.003 0.000 0.314 337 V C -0.508 175.663 176.094 0.128 0.000 1.073 337 V CA -0.918 61.414 62.300 0.055 0.000 0.956 337 V CB 2.091 34.005 31.823 0.151 0.000 1.023 337 V HN 0.047 nan 8.190 nan 0.000 0.435 338 S N 3.871 119.676 115.700 0.176 0.000 2.614 338 S HA 0.764 5.236 4.470 0.003 0.000 0.275 338 S C -1.165 173.570 174.600 0.224 0.000 1.161 338 S CA -0.596 57.771 58.200 0.278 0.000 0.969 338 S CB 1.103 64.478 63.200 0.292 0.000 1.059 338 S HN 0.648 nan 8.310 nan 0.000 0.482 339 M N 5.519 125.263 119.600 0.240 0.000 2.197 339 M HA 0.579 5.061 4.480 0.003 0.000 0.301 339 M C -1.282 174.993 176.300 -0.041 0.000 0.987 339 M CA -0.534 54.735 55.300 -0.053 0.000 0.921 339 M CB 1.419 33.912 32.600 -0.178 0.000 1.569 339 M HN 0.705 nan 8.290 nan 0.000 0.431 340 F N 2.004 121.812 119.950 -0.235 0.000 2.685 340 F HA 0.964 5.493 4.527 0.004 0.000 0.315 340 F C -3.134 172.442 175.800 -0.373 0.000 1.126 340 F CA -2.437 55.247 58.000 -0.527 0.000 0.950 340 F CB 0.806 39.146 39.000 -1.100 0.000 1.360 340 F HN 0.216 nan 8.300 nan 0.000 0.469 341 P HA 0.543 nan 4.420 nan 0.000 0.287 341 P C -1.536 175.849 177.300 0.140 0.000 1.279 341 P CA -0.468 62.610 63.100 -0.036 0.000 0.867 341 P CB 2.785 34.485 31.700 -0.000 0.000 1.127 342 L N 2.544 123.817 121.223 0.083 0.000 2.372 342 L HA 0.386 4.728 4.340 0.003 0.000 0.274 342 L C 1.210 178.124 176.870 0.074 0.000 0.988 342 L CA -0.330 54.582 54.840 0.121 0.000 0.833 342 L CB 1.386 43.497 42.059 0.086 0.000 1.236 342 L HN 0.303 nan 8.230 nan 0.000 0.410 343 N N 0.821 119.571 118.700 0.083 0.000 2.515 343 N HA -0.023 4.719 4.740 0.003 0.000 0.185 343 N C -0.004 175.534 175.510 0.047 0.000 1.109 343 N CA 0.121 53.208 53.050 0.061 0.000 0.903 343 N CB 0.317 38.843 38.487 0.064 0.000 0.969 343 N HN 0.645 nan 8.380 nan 0.000 0.450 344 S N -1.669 114.056 115.700 0.041 0.000 2.611 344 S HA 0.085 4.557 4.470 0.003 0.000 0.268 344 S C 0.255 174.865 174.600 0.016 0.000 1.156 344 S CA -0.926 57.294 58.200 0.032 0.000 0.817 344 S CB 2.037 65.252 63.200 0.024 0.000 1.122 344 S HN 0.012 nan 8.310 nan 0.000 0.466 345 Q N 0.051 119.864 119.800 0.021 0.000 2.135 345 Q HA -0.198 4.144 4.340 0.003 0.000 0.204 345 Q C 1.527 177.438 176.000 -0.148 0.000 0.981 345 Q CA 2.121 57.925 55.803 0.001 0.000 0.856 345 Q CB -0.283 28.489 28.738 0.057 0.000 0.902 345 Q HN 0.726 nan 8.270 nan 0.000 0.425 346 Q N 0.500 120.229 119.800 -0.117 0.000 2.124 346 Q HA -0.156 4.186 4.340 0.003 0.000 0.202 346 Q C 1.643 177.584 176.000 -0.098 0.000 0.977 346 Q CA 1.695 57.413 55.803 -0.141 0.000 0.850 346 Q CB 0.003 28.698 28.738 -0.071 0.000 0.901 346 Q HN 0.480 nan 8.270 nan 0.000 0.429 347 E N -0.297 119.876 120.200 -0.044 0.000 2.107 347 E HA -0.139 4.213 4.350 0.003 0.000 0.191 347 E C 1.796 178.383 176.600 -0.022 0.000 0.982 347 E CA 0.551 56.951 56.400 0.001 0.000 0.809 347 E CB -0.114 29.614 29.700 0.046 0.000 0.756 347 E HN 0.187 nan 8.360 nan 0.000 0.459 348 L N 1.409 122.583 121.223 -0.081 0.000 1.989 348 L HA -0.168 4.174 4.340 0.003 0.000 0.211 348 L C 2.301 178.989 176.870 -0.304 0.000 1.071 348 L CA 2.186 56.900 54.840 -0.210 0.000 0.749 348 L CB -0.801 41.163 42.059 -0.158 0.000 0.890 348 L HN 0.023 nan 8.230 nan 0.000 0.431 349 A N -0.557 122.128 122.820 -0.226 0.000 1.892 349 A HA -0.159 4.163 4.320 0.003 0.000 0.218 349 A C 2.356 179.990 177.584 0.085 0.000 1.188 349 A CA 1.929 53.904 52.037 -0.104 0.000 0.631 349 A CB -1.717 16.950 19.000 -0.555 0.000 0.822 349 A HN 0.567 nan 8.150 nan 0.000 0.447 350 G N -1.228 107.599 108.800 0.045 0.000 2.446 350 G HA2 -0.326 3.636 3.960 0.003 0.000 0.217 350 G HA3 -0.326 3.636 3.960 0.003 0.000 0.217 350 G C 1.785 176.812 174.900 0.212 0.000 1.168 350 G CA 1.299 46.498 45.100 0.164 0.000 0.771 350 G HN 0.620 nan 8.290 nan 0.000 0.551 351 C N -0.440 118.952 119.300 0.153 0.000 2.413 351 C HA -0.071 4.391 4.460 0.003 0.000 0.276 351 C C 2.492 177.681 174.990 0.331 0.000 1.236 351 C CA 0.999 60.154 59.018 0.229 0.000 1.735 351 C CB -1.136 26.723 27.740 0.199 0.000 2.031 351 C HN 0.509 nan 8.230 nan 0.000 0.474 352 Y N 1.521 121.962 120.300 0.234 0.000 2.070 352 Y HA -0.091 4.461 4.550 0.003 0.000 0.280 352 Y C 2.810 178.829 175.900 0.199 0.000 1.148 352 Y CA 1.428 59.657 58.100 0.215 0.000 1.125 352 Y CB -1.640 36.955 38.460 0.225 0.000 0.975 352 Y HN 0.402 nan 8.280 nan 0.000 0.492 353 A N -0.793 122.277 122.820 0.416 0.000 1.908 353 A HA -0.266 4.056 4.320 0.003 0.000 0.218 353 A C 2.182 179.935 177.584 0.280 0.000 1.181 353 A CA 1.769 54.036 52.037 0.384 0.000 0.627 353 A CB -1.412 17.868 19.000 0.468 0.000 0.818 353 A HN 0.535 nan 8.150 nan 0.000 0.445 354 Y N 0.598 120.852 120.300 -0.076 0.000 2.114 354 Y HA -0.146 4.406 4.550 0.003 0.000 0.284 354 Y C 1.933 177.732 175.900 -0.168 0.000 1.143 354 Y CA 1.786 59.537 58.100 -0.581 0.000 1.135 354 Y CB -0.506 37.592 38.460 -0.603 0.000 0.980 354 Y HN 0.207 nan 8.280 nan 0.000 0.499 355 L N -0.273 120.838 121.223 -0.186 0.000 2.191 355 L HA -0.173 4.169 4.340 0.003 0.000 0.212 355 L C 2.714 179.568 176.870 -0.027 0.000 1.103 355 L CA 0.947 55.687 54.840 -0.167 0.000 0.769 355 L CB -0.958 41.161 42.059 0.099 0.000 0.908 355 L HN 0.329 nan 8.230 nan 0.000 0.438 356 A N 0.283 123.165 122.820 0.104 0.000 1.933 356 A HA -0.208 4.114 4.320 0.003 0.000 0.218 356 A C 2.477 180.193 177.584 0.219 0.000 1.175 356 A CA 1.854 54.038 52.037 0.245 0.000 0.628 356 A CB -0.623 18.530 19.000 0.256 0.000 0.814 356 A HN 0.503 nan 8.150 nan 0.000 0.444 357 S N -1.017 114.737 115.700 0.090 0.000 2.555 357 S HA 0.003 4.475 4.470 0.003 0.000 0.230 357 S C 1.194 175.757 174.600 -0.061 0.000 0.978 357 S CA 0.908 59.156 58.200 0.080 0.000 0.934 357 S CB -0.066 63.225 63.200 0.153 0.000 0.766 357 S HN 0.435 nan 8.310 nan 0.000 0.533 358 K N 0.628 120.937 120.400 -0.152 0.000 2.373 358 K HA 0.297 4.618 4.320 0.003 0.000 0.202 358 K C 1.079 177.579 176.600 -0.168 0.000 1.025 358 K CA 0.486 56.659 56.287 -0.189 0.000 1.115 358 K CB 0.267 32.597 32.500 -0.282 0.000 0.858 358 K HN 0.519 nan 8.250 nan 0.000 0.525 359 G N 1.888 110.577 108.800 -0.184 0.000 2.149 359 G HA2 -0.238 3.724 3.960 0.003 0.000 0.235 359 G HA3 -0.238 3.724 3.960 0.003 0.000 0.235 359 G C -0.007 174.890 174.900 -0.005 0.000 1.018 359 G CA 0.258 45.070 45.100 -0.479 0.000 0.728 359 G HN 0.242 nan 8.290 nan 0.000 0.508 360 S N -1.294 114.568 115.700 0.269 0.000 2.645 360 S HA 0.771 5.243 4.470 0.003 0.000 0.266 360 S C 0.628 175.514 174.600 0.476 0.000 1.258 360 S CA -0.005 58.427 58.200 0.385 0.000 0.990 360 S CB 2.181 65.525 63.200 0.241 0.000 0.967 360 S HN 1.619 nan 8.310 nan 0.000 0.556 361 V N -0.408 119.693 119.914 0.312 0.000 3.001 361 V HA 0.796 4.917 4.120 0.003 0.000 0.314 361 V C -0.975 175.180 176.094 0.102 0.000 1.099 361 V CA -1.121 61.240 62.300 0.102 0.000 0.989 361 V CB 1.451 33.139 31.823 -0.225 0.000 1.040 361 V HN 0.726 nan 8.190 nan 0.000 0.434 362 F N 2.430 122.299 119.950 -0.135 0.000 2.443 362 F HA 0.891 5.420 4.527 0.004 0.000 0.335 362 F C 0.147 175.853 175.800 -0.156 0.000 1.104 362 F CA -0.206 57.694 58.000 -0.165 0.000 1.013 362 F CB 1.237 40.065 39.000 -0.285 0.000 1.136 362 F HN 1.016 nan 8.300 nan 0.000 0.470 363 A N 6.023 128.250 122.820 -0.988 0.000 2.386 363 A HA 0.789 5.111 4.320 0.003 0.000 0.311 363 A C -2.222 174.692 177.584 -1.116 0.000 1.068 363 A CA -0.673 50.882 52.037 -0.803 0.000 0.743 363 A CB 1.524 20.274 19.000 -0.417 0.000 1.258 363 A HN 0.871 nan 8.150 nan 0.000 0.429 364 L N 2.691 123.509 121.223 -0.676 0.000 2.555 364 L HA 0.533 4.875 4.340 0.003 0.000 0.264 364 L C 0.575 177.262 176.870 -0.305 0.000 0.972 364 L CA 0.320 54.880 54.840 -0.466 0.000 0.876 364 L CB 1.828 43.747 42.059 -0.234 0.000 1.216 364 L HN 0.754 nan 8.230 nan 0.000 0.415 365 T N -1.306 113.054 114.554 -0.323 0.000 3.176 365 T HA 0.270 4.622 4.350 0.003 0.000 0.263 365 T C 0.589 175.096 174.700 -0.322 0.000 1.021 365 T CA -0.162 61.776 62.100 -0.270 0.000 0.905 365 T CB -0.306 68.409 68.868 -0.255 0.000 1.057 365 T HN 0.494 nan 8.240 nan 0.000 0.558 366 S N 1.270 116.791 115.700 -0.298 0.000 2.554 366 S HA 0.184 4.656 4.470 0.003 0.000 0.290 366 S C 0.656 175.122 174.600 -0.223 0.000 1.309 366 S CA -0.410 57.604 58.200 -0.309 0.000 1.047 366 S CB -0.022 63.073 63.200 -0.174 0.000 0.828 366 S HN 0.415 nan 8.310 nan 0.000 0.509 367 F N 0.185 120.163 119.950 0.046 0.000 2.171 367 F HA 0.013 4.541 4.527 0.003 0.000 0.300 367 F C 0.871 176.766 175.800 0.159 0.000 1.090 367 F CA 0.901 58.952 58.000 0.084 0.000 1.293 367 F CB 0.054 39.106 39.000 0.087 0.000 1.013 367 F HN 0.595 nan 8.300 nan 0.000 0.486 368 Y N -0.032 120.365 120.300 0.162 0.000 2.482 368 Y HA 0.486 5.038 4.550 0.003 0.000 0.334 368 Y C -1.606 174.334 175.900 0.067 0.000 1.091 368 Y CA -1.850 56.312 58.100 0.103 0.000 1.027 368 Y CB 1.330 39.856 38.460 0.110 0.000 1.306 368 Y HN -0.197 nan 8.280 nan 0.000 0.446 369 E N 7.595 127.269 120.200 -0.876 0.000 2.220 369 E HA 0.460 4.812 4.350 0.003 0.000 0.256 369 E C -2.397 173.645 176.600 -0.931 0.000 0.881 369 E CA -2.853 53.130 56.400 -0.695 0.000 0.766 369 E CB 1.883 31.409 29.700 -0.290 0.000 1.187 369 E HN 0.383 nan 8.360 nan 0.000 0.419 370 P HA -0.038 nan 4.420 nan 0.000 0.249 370 P C -0.496 176.857 177.300 0.088 0.000 1.227 370 P CA 0.224 63.206 63.100 -0.196 0.000 0.753 370 P CB -0.438 31.275 31.700 0.021 0.000 0.966 371 F N -1.005 118.837 119.950 -0.181 0.000 2.158 371 F HA 0.037 4.566 4.527 0.003 0.000 0.514 371 F C -0.464 175.271 175.800 -0.109 0.000 1.280 371 F CA 0.122 58.054 58.000 -0.114 0.000 1.650 371 F CB -1.315 37.658 39.000 -0.045 0.000 2.635 371 F HN 0.229 nan 8.300 nan 0.000 0.725 372 G N 4.582 113.128 108.800 -0.423 0.000 2.827 372 G HA2 0.620 4.582 3.960 0.003 0.000 0.296 372 G HA3 0.620 4.582 3.960 0.003 0.000 0.296 372 G C -0.398 174.214 174.900 -0.479 0.000 1.362 372 G CA -0.501 44.296 45.100 -0.505 0.000 0.809 372 G HN 0.748 nan 8.290 nan 0.000 0.522 373 L N 0.950 121.937 121.223 -0.392 0.000 2.700 373 L HA 0.238 4.580 4.340 0.003 0.000 0.234 373 L C 2.578 179.237 176.870 -0.352 0.000 1.156 373 L CA 0.438 55.048 54.840 -0.384 0.000 0.946 373 L CB 0.293 42.145 42.059 -0.346 0.000 1.216 373 L HN 0.627 nan 8.230 nan 0.000 0.493 374 A N 1.590 124.248 122.820 -0.270 0.000 1.883 374 A HA -0.116 4.206 4.320 0.003 0.000 0.217 374 A C -0.150 177.173 177.584 -0.435 0.000 1.186 374 A CA 1.730 53.621 52.037 -0.242 0.000 0.624 374 A CB -1.491 17.476 19.000 -0.055 0.000 0.822 374 A HN 0.265 nan 8.150 nan 0.000 0.444 375 P HA -0.076 nan 4.420 nan 0.000 0.216 375 P C 1.652 178.651 177.300 -0.501 0.000 1.153 375 P CA 1.172 64.001 63.100 -0.451 0.000 0.848 375 P CB -0.131 31.458 31.700 -0.184 0.000 0.787 376 V N 0.528 120.184 119.914 -0.430 0.000 2.287 376 V HA -0.290 3.832 4.120 0.003 0.000 0.248 376 V C 2.250 178.104 176.094 -0.400 0.000 1.053 376 V CA 1.970 64.043 62.300 -0.379 0.000 1.027 376 V CB -1.255 30.336 31.823 -0.387 0.000 0.646 376 V HN 0.217 nan 8.190 nan 0.000 0.447 377 E N 0.333 120.201 120.200 -0.553 0.000 2.085 377 E HA -0.238 4.114 4.350 0.003 0.000 0.194 377 E C 2.310 178.599 176.600 -0.518 0.000 0.994 377 E CA 1.438 57.372 56.400 -0.775 0.000 0.801 377 E CB -0.374 28.559 29.700 -1.278 0.000 0.743 377 E HN 0.629 nan 8.360 nan 0.000 0.453 378 A N 1.204 123.568 122.820 -0.760 0.000 1.873 378 A HA -0.167 4.155 4.320 0.003 0.000 0.215 378 A C 2.207 179.493 177.584 -0.496 0.000 1.186 378 A CA 1.372 52.822 52.037 -0.978 0.000 0.616 378 A CB -0.469 17.508 19.000 -1.705 0.000 0.823 378 A HN 0.113 nan 8.150 nan 0.000 0.442 379 M N -0.258 119.097 119.600 -0.408 0.000 2.108 379 M HA -0.157 4.325 4.480 0.003 0.000 0.261 379 M C 2.442 178.668 176.300 -0.124 0.000 1.066 379 M CA 1.607 56.772 55.300 -0.226 0.000 1.107 379 M CB -0.448 32.043 32.600 -0.181 0.000 1.356 379 M HN 0.441 nan 8.290 nan 0.000 0.406 380 A N -0.608 122.154 122.820 -0.098 0.000 2.015 380 A HA -0.074 4.248 4.320 0.003 0.000 0.219 380 A C 2.177 179.810 177.584 0.082 0.000 1.163 380 A CA 1.651 53.693 52.037 0.008 0.000 0.646 380 A CB -0.575 18.451 19.000 0.043 0.000 0.806 380 A HN 0.443 nan 8.150 nan 0.000 0.448 381 S N -1.586 114.171 115.700 0.096 0.000 2.603 381 S HA 0.340 4.812 4.470 0.003 0.000 0.220 381 S C 1.363 176.045 174.600 0.135 0.000 0.967 381 S CA 0.816 59.136 58.200 0.201 0.000 0.920 381 S CB 0.061 63.475 63.200 0.357 0.000 0.773 381 S HN 1.563 nan 8.310 nan 0.000 0.529 382 G N 0.949 109.774 108.800 0.041 0.000 2.159 382 G HA2 -0.193 3.769 3.960 0.003 0.000 0.227 382 G HA3 -0.193 3.769 3.960 0.003 0.000 0.227 382 G C -0.139 174.738 174.900 -0.039 0.000 0.986 382 G CA -0.462 44.651 45.100 0.022 0.000 0.651 382 G HN 0.426 nan 8.290 nan 0.000 0.523 383 L N 1.304 122.473 121.223 -0.091 0.000 2.275 383 L HA 0.454 4.796 4.340 0.003 0.000 0.288 383 L C -2.031 174.724 176.870 -0.192 0.000 1.046 383 L CA -2.205 52.571 54.840 -0.107 0.000 0.805 383 L CB 1.681 43.666 42.059 -0.123 0.000 1.193 383 L HN -0.138 nan 8.230 nan 0.000 0.426 384 P HA 0.108 nan 4.420 nan 0.000 0.271 384 P C -0.992 176.190 177.300 -0.196 0.000 1.216 384 P CA -0.159 62.762 63.100 -0.297 0.000 0.776 384 P CB 0.943 32.362 31.700 -0.469 0.000 0.881 385 A N 3.022 125.732 122.820 -0.183 0.000 2.276 385 A HA 0.501 4.823 4.320 0.003 0.000 0.316 385 A C -0.644 176.841 177.584 -0.164 0.000 1.229 385 A CA -0.463 51.537 52.037 -0.062 0.000 0.851 385 A CB 0.515 19.513 19.000 -0.003 0.000 1.165 385 A HN 0.352 nan 8.150 nan 0.000 0.513 386 V N 4.703 124.534 119.914 -0.139 0.000 2.284 386 V HA 0.448 4.570 4.120 0.003 0.000 0.274 386 V C -0.000 175.999 176.094 -0.158 0.000 1.023 386 V CA -0.242 61.946 62.300 -0.188 0.000 0.808 386 V CB 0.595 32.294 31.823 -0.206 0.000 1.035 386 V HN 0.949 nan 8.190 nan 0.000 0.445 387 V N 1.601 121.450 119.914 -0.108 0.000 3.074 387 V HA 0.711 4.833 4.120 0.003 0.000 0.314 387 V C 0.242 176.294 176.094 -0.069 0.000 1.117 387 V CA -0.734 61.512 62.300 -0.090 0.000 1.014 387 V CB 1.900 33.710 31.823 -0.022 0.000 1.057 387 V HN 0.610 nan 8.190 nan 0.000 0.438 388 T N 1.606 116.119 114.554 -0.069 0.000 2.934 388 T HA 0.120 4.472 4.350 0.003 0.000 0.306 388 T C 1.307 176.009 174.700 0.003 0.000 1.042 388 T CA 0.696 62.777 62.100 -0.032 0.000 1.145 388 T CB 0.247 69.096 68.868 -0.032 0.000 0.982 388 T HN 1.065 nan 8.240 nan 0.000 0.544 389 R N 3.255 123.770 120.500 0.025 0.000 2.307 389 R HA 0.065 4.407 4.340 0.003 0.000 0.199 389 R C -0.234 176.109 176.300 0.071 0.000 1.000 389 R CA 0.214 56.337 56.100 0.038 0.000 1.023 389 R CB -0.080 30.241 30.300 0.034 0.000 0.908 389 R HN 0.402 nan 8.270 nan 0.000 0.473 390 N N 1.469 120.233 118.700 0.107 0.000 2.437 390 N HA 0.358 5.100 4.740 0.003 0.000 0.259 390 N C 0.111 175.774 175.510 0.254 0.000 0.983 390 N CA 0.777 53.946 53.050 0.199 0.000 0.937 390 N CB 1.687 40.331 38.487 0.261 0.000 1.122 390 N HN 0.444 nan 8.380 nan 0.000 0.499 391 G N 1.061 110.023 108.800 0.269 0.000 2.447 391 G HA2 -0.166 3.796 3.960 0.003 0.000 0.220 391 G HA3 -0.166 3.796 3.960 0.003 0.000 0.220 391 G C 0.842 175.788 174.900 0.077 0.000 1.261 391 G CA -0.223 45.009 45.100 0.220 0.000 1.000 391 G HN 0.549 nan 8.290 nan 0.000 0.515 392 G N 0.389 109.223 108.800 0.056 0.000 2.503 392 G HA2 0.008 3.970 3.960 0.003 0.000 0.221 392 G HA3 0.008 3.970 3.960 0.003 0.000 0.221 392 G C 0.132 175.089 174.900 0.095 0.000 1.131 392 G CA 2.360 47.543 45.100 0.139 0.000 0.756 392 G HN 0.696 nan 8.290 nan 0.000 0.572 393 P HA -0.016 nan 4.420 nan 0.000 0.219 393 P C 2.104 179.418 177.300 0.023 0.000 1.146 393 P CA 1.655 64.763 63.100 0.013 0.000 0.808 393 P CB -0.071 31.624 31.700 -0.009 0.000 0.779 394 A N -0.124 122.714 122.820 0.030 0.000 1.898 394 A HA -0.233 4.089 4.320 0.003 0.000 0.216 394 A C 2.340 179.947 177.584 0.040 0.000 1.181 394 A CA 1.644 53.702 52.037 0.035 0.000 0.620 394 A CB -1.211 17.813 19.000 0.040 0.000 0.819 394 A HN 0.175 nan 8.150 nan 0.000 0.442 395 E N -0.176 120.031 120.200 0.013 0.000 2.047 395 E HA -0.148 4.204 4.350 0.003 0.000 0.191 395 E C 1.895 178.543 176.600 0.081 0.000 0.987 395 E CA 1.116 57.518 56.400 0.002 0.000 0.799 395 E CB -0.216 29.406 29.700 -0.130 0.000 0.752 395 E HN 0.646 nan 8.360 nan 0.000 0.449 396 I N 0.980 121.591 120.570 0.069 0.000 2.248 396 I HA -0.282 3.890 4.170 0.003 0.000 0.248 396 I C 1.959 178.179 176.117 0.172 0.000 1.107 396 I CA 1.011 62.363 61.300 0.087 0.000 1.373 396 I CB -0.052 37.885 38.000 -0.106 0.000 1.055 396 I HN 0.220 nan 8.210 nan 0.000 0.418 397 L N -0.219 121.100 121.223 0.160 0.000 2.628 397 L HA 0.091 4.433 4.340 0.003 0.000 0.229 397 L C 0.170 177.214 176.870 0.289 0.000 1.137 397 L CA -0.072 54.917 54.840 0.247 0.000 0.909 397 L CB -0.263 41.869 42.059 0.121 0.000 1.137 397 L HN 0.219 nan 8.230 nan 0.000 0.470 398 D N 1.978 122.530 120.400 0.253 0.000 2.735 398 D HA -0.195 4.447 4.640 0.003 0.000 0.235 398 D C 1.272 177.611 176.300 0.065 0.000 1.175 398 D CA 1.042 55.148 54.000 0.177 0.000 0.683 398 D CB -0.820 40.147 40.800 0.277 0.000 1.008 398 D HN 0.649 nan 8.370 nan 0.000 0.416 399 G N -0.459 108.373 108.800 0.053 0.000 2.187 399 G HA2 -0.044 3.918 3.960 0.003 0.000 0.261 399 G HA3 -0.044 3.918 3.960 0.003 0.000 0.261 399 G C 1.204 176.112 174.900 0.012 0.000 1.000 399 G CA 0.970 46.085 45.100 0.025 0.000 0.718 399 G HN 1.716 nan 8.290 nan 0.000 0.519 400 G N -1.052 107.760 108.800 0.020 0.000 2.192 400 G HA2 -0.196 3.766 3.960 0.003 0.000 0.193 400 G HA3 -0.196 3.766 3.960 0.003 0.000 0.193 400 G C 0.887 175.788 174.900 0.002 0.000 0.999 400 G CA 1.097 46.208 45.100 0.019 0.000 0.659 400 G HN 1.005 nan 8.290 nan 0.000 0.503 401 K N -0.567 119.772 120.400 -0.102 0.000 2.062 401 K HA 0.086 4.408 4.320 0.003 0.000 0.205 401 K C 1.491 177.859 176.600 -0.386 0.000 1.051 401 K CA 1.327 57.417 56.287 -0.327 0.000 0.941 401 K CB -0.071 32.074 32.500 -0.592 0.000 0.719 401 K HN 0.438 nan 8.250 nan 0.000 0.440 402 Y N -0.553 119.800 120.300 0.088 0.000 2.485 402 Y HA 0.347 4.899 4.550 0.003 0.000 0.260 402 Y C 0.708 176.686 175.900 0.130 0.000 1.173 402 Y CA -0.010 58.149 58.100 0.099 0.000 1.252 402 Y CB 1.402 39.901 38.460 0.065 0.000 1.123 402 Y HN 0.140 nan 8.280 nan 0.000 0.524 403 G N -1.064 107.859 108.800 0.205 0.000 2.430 403 G HA2 0.423 4.385 3.960 0.003 0.000 0.300 403 G HA3 0.423 4.385 3.960 0.003 0.000 0.300 403 G C -2.012 172.777 174.900 -0.185 0.000 1.330 403 G CA -0.857 44.207 45.100 -0.061 0.000 0.813 403 G HN -0.231 nan 8.290 nan 0.000 0.487 404 V N 0.938 120.606 119.914 -0.410 0.000 2.439 404 V HA 0.545 4.667 4.120 0.003 0.000 0.282 404 V C 0.293 176.302 176.094 -0.141 0.000 1.039 404 V CA -0.461 61.675 62.300 -0.274 0.000 0.913 404 V CB 0.992 32.590 31.823 -0.375 0.000 0.983 404 V HN 0.556 nan 8.190 nan 0.000 0.460 405 L N 5.708 126.888 121.223 -0.072 0.000 2.331 405 L HA 0.844 5.186 4.340 0.003 0.000 0.275 405 L C -0.362 176.488 176.870 -0.034 0.000 1.022 405 L CA -0.781 54.035 54.840 -0.041 0.000 0.812 405 L CB 1.944 43.996 42.059 -0.011 0.000 1.257 405 L HN 0.615 nan 8.230 nan 0.000 0.435 406 V N -1.972 117.925 119.914 -0.028 0.000 3.049 406 V HA 0.466 4.588 4.120 0.003 0.000 0.309 406 V C -1.048 175.050 176.094 0.006 0.000 1.148 406 V CA -0.938 61.353 62.300 -0.015 0.000 0.990 406 V CB 2.162 33.966 31.823 -0.031 0.000 1.039 406 V HN 0.685 nan 8.190 nan 0.000 0.430 407 D N 4.428 124.841 120.400 0.022 0.000 2.339 407 D HA 0.387 5.029 4.640 0.003 0.000 0.256 407 D C -1.128 175.208 176.300 0.060 0.000 1.214 407 D CA -2.009 52.019 54.000 0.047 0.000 0.877 407 D CB 1.880 42.709 40.800 0.048 0.000 1.111 407 D HN 0.464 nan 8.370 nan 0.000 0.478 408 P HA -0.129 nan 4.420 nan 0.000 0.220 408 P C 0.515 177.939 177.300 0.207 0.000 1.148 408 P CA 0.958 64.114 63.100 0.094 0.000 0.803 408 P CB 0.377 32.134 31.700 0.095 0.000 0.782 409 E N -0.664 119.675 120.200 0.230 0.000 2.481 409 E HA -0.028 4.324 4.350 0.003 0.000 0.195 409 E C 0.368 177.052 176.600 0.141 0.000 1.047 409 E CA 0.154 56.687 56.400 0.222 0.000 0.867 409 E CB -0.051 29.727 29.700 0.131 0.000 0.858 409 E HN 0.153 nan 8.360 nan 0.000 0.513 410 D N 0.499 120.962 120.400 0.105 0.000 2.462 410 D HA 0.076 4.718 4.640 0.003 0.000 0.249 410 D C -1.724 174.612 176.300 0.060 0.000 1.117 410 D CA -2.420 51.624 54.000 0.073 0.000 0.900 410 D CB 1.221 42.053 40.800 0.053 0.000 1.039 410 D HN -0.120 nan 8.370 nan 0.000 0.516 411 P HA -0.158 nan 4.420 nan 0.000 0.217 411 P C 0.955 178.272 177.300 0.030 0.000 1.148 411 P CA 0.952 64.078 63.100 0.044 0.000 0.828 411 P CB 0.675 32.403 31.700 0.048 0.000 0.783 412 E N -0.333 119.886 120.200 0.031 0.000 2.152 412 E HA -0.171 4.181 4.350 0.003 0.000 0.192 412 E C 1.709 178.323 176.600 0.023 0.000 0.983 412 E CA 0.988 57.402 56.400 0.023 0.000 0.818 412 E CB -0.331 29.382 29.700 0.022 0.000 0.758 412 E HN 0.273 nan 8.360 nan 0.000 0.467 413 D N 0.442 120.857 120.400 0.025 0.000 2.194 413 D HA -0.042 4.600 4.640 0.003 0.000 0.204 413 D C 1.825 178.133 176.300 0.014 0.000 0.964 413 D CA 0.527 54.540 54.000 0.021 0.000 0.846 413 D CB 0.146 40.960 40.800 0.024 0.000 0.962 413 D HN 0.056 nan 8.370 nan 0.000 0.490 414 I N 0.378 120.955 120.570 0.012 0.000 2.226 414 I HA -0.222 3.950 4.170 0.003 0.000 0.245 414 I C 2.401 178.525 176.117 0.012 0.000 1.100 414 I CA 0.992 62.290 61.300 -0.003 0.000 1.374 414 I CB -0.280 37.714 38.000 -0.011 0.000 1.057 414 I HN 0.046 nan 8.210 nan 0.000 0.413 415 A N 0.603 123.440 122.820 0.027 0.000 1.902 415 A HA -0.224 4.098 4.320 0.003 0.000 0.217 415 A C 2.413 180.028 177.584 0.051 0.000 1.181 415 A CA 1.490 53.554 52.037 0.046 0.000 0.623 415 A CB -0.600 18.418 19.000 0.030 0.000 0.818 415 A HN 0.282 nan 8.150 nan 0.000 0.443 416 R N -0.983 119.538 120.500 0.035 0.000 2.091 416 R HA -0.134 4.208 4.340 0.003 0.000 0.238 416 R C 2.336 178.657 176.300 0.034 0.000 1.136 416 R CA 1.305 57.427 56.100 0.037 0.000 0.959 416 R CB -0.568 29.749 30.300 0.027 0.000 0.856 416 R HN 0.544 nan 8.270 nan 0.000 0.437 417 G N 0.433 109.240 108.800 0.011 0.000 2.408 417 G HA2 -0.208 3.754 3.960 0.003 0.000 0.217 417 G HA3 -0.208 3.754 3.960 0.003 0.000 0.217 417 G C 1.399 176.279 174.900 -0.034 0.000 1.150 417 G CA 0.338 45.424 45.100 -0.023 0.000 0.776 417 G HN 0.166 nan 8.290 nan 0.000 0.542 418 L N -0.188 121.042 121.223 0.012 0.000 2.056 418 L HA 0.034 4.376 4.340 0.003 0.000 0.207 418 L C 2.874 179.849 176.870 0.174 0.000 1.078 418 L CA 0.514 55.387 54.840 0.055 0.000 0.749 418 L CB -0.385 41.777 42.059 0.172 0.000 0.901 418 L HN 0.169 nan 8.230 nan 0.000 0.433 419 L N -0.204 121.135 121.223 0.194 0.000 2.083 419 L HA -0.236 4.106 4.340 0.003 0.000 0.209 419 L C 2.721 179.705 176.870 0.189 0.000 1.083 419 L CA 1.238 56.217 54.840 0.233 0.000 0.752 419 L CB -0.465 41.678 42.059 0.139 0.000 0.899 419 L HN 0.258 nan 8.230 nan 0.000 0.433 420 K N 0.441 120.907 120.400 0.110 0.000 2.002 420 K HA -0.211 4.111 4.320 0.003 0.000 0.209 420 K C 2.148 178.831 176.600 0.139 0.000 1.048 420 K CA 1.486 57.841 56.287 0.113 0.000 0.930 420 K CB -0.159 32.390 32.500 0.081 0.000 0.714 420 K HN 0.266 nan 8.250 nan 0.000 0.438 421 A N 0.182 123.004 122.820 0.004 0.000 2.024 421 A HA -0.144 4.178 4.320 0.003 0.000 0.220 421 A C 1.591 179.202 177.584 0.044 0.000 1.164 421 A CA 1.363 53.360 52.037 -0.066 0.000 0.643 421 A CB -0.516 18.245 19.000 -0.397 0.000 0.806 421 A HN 0.372 nan 8.150 nan 0.000 0.451 422 F N 0.165 120.242 119.950 0.212 0.000 2.727 422 F HA 0.111 4.640 4.527 0.003 0.000 0.302 422 F C 2.031 177.907 175.800 0.127 0.000 1.097 422 F CA 0.215 58.318 58.000 0.171 0.000 1.330 422 F CB -0.235 38.826 39.000 0.101 0.000 1.084 422 F HN 0.547 nan 8.300 nan 0.000 0.578 423 E N 0.872 121.239 120.200 0.278 0.000 2.147 423 E HA -0.181 4.171 4.350 0.003 0.000 0.199 423 E C 0.467 177.160 176.600 0.155 0.000 1.005 423 E CA 1.392 57.904 56.400 0.187 0.000 0.810 423 E CB -0.214 29.574 29.700 0.147 0.000 0.736 423 E HN 0.319 nan 8.360 nan 0.000 0.460 424 S N -1.621 114.186 115.700 0.179 0.000 2.595 424 S HA 0.109 4.581 4.470 0.003 0.000 0.270 424 S C 0.321 175.026 174.600 0.176 0.000 1.145 424 S CA -0.538 57.744 58.200 0.138 0.000 0.825 424 S CB 1.496 64.755 63.200 0.100 0.000 1.107 424 S HN 0.105 nan 8.310 nan 0.000 0.461 425 E N 0.803 121.079 120.200 0.128 0.000 2.153 425 E HA -0.200 4.152 4.350 0.003 0.000 0.194 425 E C 1.412 178.135 176.600 0.205 0.000 0.988 425 E CA 1.681 58.171 56.400 0.150 0.000 0.811 425 E CB -0.095 29.651 29.700 0.076 0.000 0.746 425 E HN 0.815 nan 8.360 nan 0.000 0.466 426 E N -0.439 119.842 120.200 0.136 0.000 2.046 426 E HA -0.113 4.239 4.350 0.003 0.000 0.190 426 E C 1.869 178.518 176.600 0.082 0.000 0.982 426 E CA 1.617 58.076 56.400 0.099 0.000 0.800 426 E CB 0.041 29.772 29.700 0.051 0.000 0.756 426 E HN 0.120 nan 8.360 nan 0.000 0.449 427 T N 0.252 114.860 114.554 0.090 0.000 2.643 427 T HA -0.207 4.145 4.350 0.003 0.000 0.264 427 T C 1.110 175.871 174.700 0.101 0.000 1.045 427 T CA 1.485 63.599 62.100 0.024 0.000 1.155 427 T CB -0.677 68.255 68.868 0.107 0.000 0.863 427 T HN 0.460 nan 8.240 nan 0.000 0.420 428 W N 1.820 123.173 121.300 0.088 0.000 2.318 428 W HA -0.213 4.449 4.660 0.003 0.000 0.313 428 W C 2.593 179.169 176.519 0.096 0.000 1.221 428 W CA 1.656 59.080 57.345 0.131 0.000 1.266 428 W CB -0.464 29.060 29.460 0.107 0.000 1.150 428 W HN 0.118 nan 8.180 nan 0.000 0.496 429 S N 0.242 116.184 115.700 0.403 0.000 2.382 429 S HA -0.174 4.297 4.470 0.003 0.000 0.228 429 S C 1.967 176.537 174.600 -0.050 0.000 1.027 429 S CA 1.318 59.635 58.200 0.195 0.000 0.991 429 S CB -0.912 62.458 63.200 0.282 0.000 0.823 429 S HN 0.436 nan 8.310 nan 0.000 0.469 430 A N 0.805 123.578 122.820 -0.078 0.000 1.858 430 A HA -0.106 4.216 4.320 0.003 0.000 0.216 430 A C 1.876 179.332 177.584 -0.214 0.000 1.190 430 A CA 1.508 53.440 52.037 -0.175 0.000 0.617 430 A CB -1.082 17.754 19.000 -0.274 0.000 0.827 430 A HN 0.499 nan 8.150 nan 0.000 0.443 431 Y N 0.009 120.210 120.300 -0.165 0.000 2.165 431 Y HA -0.273 4.279 4.550 0.004 0.000 0.286 431 Y C 2.703 178.447 175.900 -0.260 0.000 1.155 431 Y CA 1.647 59.627 58.100 -0.198 0.000 1.164 431 Y CB -0.765 37.542 38.460 -0.254 0.000 0.978 431 Y HN 0.534 nan 8.280 nan 0.000 0.513 432 Q N 0.351 119.980 119.800 -0.285 0.000 2.045 432 Q HA -0.301 4.041 4.340 0.003 0.000 0.206 432 Q C 2.311 178.228 176.000 -0.138 0.000 0.991 432 Q CA 2.205 57.809 55.803 -0.332 0.000 0.851 432 Q CB -0.240 28.157 28.738 -0.568 0.000 0.911 432 Q HN 0.649 nan 8.270 nan 0.000 0.418 433 E N 0.091 120.231 120.200 -0.100 0.000 2.031 433 E HA -0.223 4.129 4.350 0.003 0.000 0.193 433 E C 1.976 178.576 176.600 0.001 0.000 0.994 433 E CA 1.272 57.651 56.400 -0.034 0.000 0.800 433 E CB 0.048 29.736 29.700 -0.020 0.000 0.752 433 E HN 0.257 nan 8.360 nan 0.000 0.447 434 K N -0.263 120.152 120.400 0.024 0.000 2.063 434 K HA -0.135 4.187 4.320 0.003 0.000 0.208 434 K C 2.191 178.878 176.600 0.145 0.000 1.048 434 K CA 1.182 57.548 56.287 0.131 0.000 0.928 434 K CB -0.391 32.206 32.500 0.162 0.000 0.713 434 K HN 0.270 nan 8.250 nan 0.000 0.442 435 G N 1.563 110.413 108.800 0.084 0.000 2.446 435 G HA2 -0.290 3.672 3.960 0.003 0.000 0.217 435 G HA3 -0.290 3.672 3.960 0.003 0.000 0.217 435 G C 1.444 176.333 174.900 -0.019 0.000 1.168 435 G CA 0.865 45.983 45.100 0.030 0.000 0.771 435 G HN 0.221 nan 8.290 nan 0.000 0.551 436 K N -0.058 120.327 120.400 -0.024 0.000 2.026 436 K HA -0.115 4.207 4.320 0.003 0.000 0.208 436 K C 2.819 179.406 176.600 -0.022 0.000 1.048 436 K CA 1.538 57.813 56.287 -0.019 0.000 0.929 436 K CB -0.158 32.336 32.500 -0.010 0.000 0.713 436 K HN 0.382 nan 8.250 nan 0.000 0.439 437 Q N -0.236 119.554 119.800 -0.016 0.000 2.135 437 Q HA -0.217 4.125 4.340 0.003 0.000 0.204 437 Q C 2.112 178.049 176.000 -0.104 0.000 0.981 437 Q CA 1.390 57.176 55.803 -0.029 0.000 0.856 437 Q CB -0.123 28.624 28.738 0.014 0.000 0.902 437 Q HN 0.101 nan 8.270 nan 0.000 0.425 438 R N 0.674 121.069 120.500 -0.175 0.000 2.075 438 R HA -0.103 4.239 4.340 0.003 0.000 0.232 438 R C 1.936 178.129 176.300 -0.178 0.000 1.126 438 R CA 1.280 57.156 56.100 -0.374 0.000 0.963 438 R CB -0.656 29.311 30.300 -0.555 0.000 0.858 438 R HN 0.095 nan 8.270 nan 0.000 0.435 439 V N 0.808 120.700 119.914 -0.036 0.000 2.270 439 V HA -0.200 3.922 4.120 0.003 0.000 0.245 439 V C 2.081 178.158 176.094 -0.028 0.000 1.043 439 V CA 2.255 64.594 62.300 0.064 0.000 1.014 439 V CB -0.530 31.315 31.823 0.037 0.000 0.645 439 V HN 0.399 nan 8.190 nan 0.000 0.447 440 E N -0.153 120.022 120.200 -0.042 0.000 2.118 440 E HA -0.251 4.101 4.350 0.003 0.000 0.195 440 E C 2.240 178.790 176.600 -0.083 0.000 0.992 440 E CA 1.595 57.970 56.400 -0.041 0.000 0.804 440 E CB -0.108 29.578 29.700 -0.022 0.000 0.741 440 E HN 0.680 nan 8.360 nan 0.000 0.458 441 E N -0.451 119.667 120.200 -0.137 0.000 2.152 441 E HA -0.114 4.238 4.350 0.003 0.000 0.192 441 E C 2.015 178.469 176.600 -0.242 0.000 0.983 441 E CA 0.666 56.967 56.400 -0.166 0.000 0.818 441 E CB 0.178 29.770 29.700 -0.180 0.000 0.758 441 E HN 0.039 nan 8.360 nan 0.000 0.467 442 R N -0.939 119.323 120.500 -0.397 0.000 2.676 442 R HA 0.053 4.395 4.340 0.003 0.000 0.241 442 R C 0.279 176.222 176.300 -0.596 0.000 0.964 442 R CA 0.039 55.797 56.100 -0.570 0.000 1.054 442 R CB 0.649 30.443 30.300 -0.844 0.000 1.603 442 R HN 0.060 nan 8.270 nan 0.000 0.577 443 Y N 1.392 121.630 120.300 -0.102 0.000 2.658 443 Y HA 0.260 4.813 4.550 0.004 0.000 0.276 443 Y C 0.407 176.195 175.900 -0.187 0.000 1.167 443 Y CA -0.181 57.838 58.100 -0.136 0.000 1.230 443 Y CB 0.676 39.057 38.460 -0.132 0.000 1.144 443 Y HN -0.030 nan 8.280 nan 0.000 0.529 444 T N -5.798 108.720 114.554 -0.059 0.000 2.948 444 T HA 0.136 4.488 4.350 0.003 0.000 0.285 444 T C 0.673 175.315 174.700 -0.096 0.000 1.019 444 T CA -0.734 61.327 62.100 -0.064 0.000 1.013 444 T CB 0.774 69.659 68.868 0.028 0.000 1.117 444 T HN 0.320 nan 8.240 nan 0.000 0.533 445 W N 0.212 121.510 121.300 -0.003 0.000 2.465 445 W HA 0.017 4.678 4.660 0.003 0.000 0.268 445 W C 2.678 179.183 176.519 -0.023 0.000 1.242 445 W CA -0.027 57.294 57.345 -0.039 0.000 1.248 445 W CB -0.145 29.272 29.460 -0.072 0.000 1.118 445 W HN 0.617 nan 8.180 nan 0.000 0.587 446 Q N 0.329 120.243 119.800 0.189 0.000 2.084 446 Q HA -0.228 4.114 4.340 0.003 0.000 0.202 446 Q C 1.883 177.939 176.000 0.094 0.000 0.978 446 Q CA 1.573 57.447 55.803 0.119 0.000 0.844 446 Q CB -0.576 28.208 28.738 0.078 0.000 0.898 446 Q HN 0.304 nan 8.270 nan 0.000 0.426 447 E N 0.089 120.321 120.200 0.053 0.000 2.204 447 E HA -0.091 4.261 4.350 0.003 0.000 0.194 447 E C 1.696 178.340 176.600 0.073 0.000 0.989 447 E CA 1.369 57.783 56.400 0.023 0.000 0.824 447 E CB -0.036 29.634 29.700 -0.051 0.000 0.756 447 E HN 0.266 nan 8.360 nan 0.000 0.477 448 T N -0.142 114.477 114.554 0.109 0.000 2.770 448 T HA -0.030 4.322 4.350 0.003 0.000 0.263 448 T C 1.831 176.730 174.700 0.331 0.000 1.039 448 T CA 1.352 63.575 62.100 0.205 0.000 1.142 448 T CB -0.457 68.539 68.868 0.214 0.000 0.868 448 T HN 0.315 nan 8.240 nan 0.000 0.435 449 A N 1.804 124.779 122.820 0.260 0.000 1.877 449 A HA -0.110 4.212 4.320 0.003 0.000 0.216 449 A C 2.298 180.035 177.584 0.254 0.000 1.186 449 A CA 1.719 53.908 52.037 0.253 0.000 0.620 449 A CB -0.647 18.441 19.000 0.146 0.000 0.822 449 A HN 0.384 nan 8.150 nan 0.000 0.443 450 R N -0.616 119.987 120.500 0.171 0.000 2.117 450 R HA -0.165 4.177 4.340 0.003 0.000 0.243 450 R C 2.210 178.590 176.300 0.134 0.000 1.143 450 R CA 1.649 57.825 56.100 0.126 0.000 0.968 450 R CB -0.639 29.708 30.300 0.079 0.000 0.863 450 R HN 0.508 nan 8.270 nan 0.000 0.444 451 G N -0.700 108.196 108.800 0.159 0.000 2.404 451 G HA2 -0.267 3.695 3.960 0.003 0.000 0.215 451 G HA3 -0.267 3.695 3.960 0.003 0.000 0.215 451 G C 1.037 176.008 174.900 0.118 0.000 1.174 451 G CA 0.571 45.741 45.100 0.117 0.000 0.780 451 G HN 0.324 nan 8.290 nan 0.000 0.537 452 Y N -0.023 120.354 120.300 0.129 0.000 2.181 452 Y HA -0.047 4.504 4.550 0.003 0.000 0.288 452 Y C 2.645 178.617 175.900 0.121 0.000 1.146 452 Y CA 1.092 59.282 58.100 0.150 0.000 1.164 452 Y CB -0.450 38.160 38.460 0.250 0.000 0.982 452 Y HN 0.175 nan 8.280 nan 0.000 0.515 453 L N 0.297 121.680 121.223 0.266 0.000 2.013 453 L HA -0.232 4.110 4.340 0.003 0.000 0.212 453 L C 2.203 179.136 176.870 0.106 0.000 1.073 453 L CA 1.913 56.859 54.840 0.178 0.000 0.753 453 L CB -0.728 41.418 42.059 0.145 0.000 0.890 453 L HN 0.124 nan 8.230 nan 0.000 0.432 454 E N -0.559 119.686 120.200 0.076 0.000 2.058 454 E HA -0.193 4.159 4.350 0.003 0.000 0.194 454 E C 2.321 178.928 176.600 0.011 0.000 0.997 454 E CA 1.677 58.099 56.400 0.037 0.000 0.801 454 E CB -0.712 29.002 29.700 0.023 0.000 0.746 454 E HN 0.433 nan 8.360 nan 0.000 0.450 455 V N 1.488 121.395 119.914 -0.012 0.000 2.427 455 V HA -0.214 3.908 4.120 0.003 0.000 0.248 455 V C 2.417 178.494 176.094 -0.028 0.000 1.051 455 V CA 1.253 63.520 62.300 -0.054 0.000 1.048 455 V CB -0.408 31.334 31.823 -0.135 0.000 0.666 455 V HN 0.191 nan 8.190 nan 0.000 0.456 456 I N -0.327 120.257 120.570 0.023 0.000 2.202 456 I HA -0.273 3.899 4.170 0.003 0.000 0.242 456 I C 2.648 178.786 176.117 0.035 0.000 1.091 456 I CA 1.601 62.930 61.300 0.048 0.000 1.368 456 I CB -0.308 37.763 38.000 0.118 0.000 1.058 456 I HN 0.333 nan 8.210 nan 0.000 0.410 457 Q N 1.248 121.072 119.800 0.041 0.000 2.050 457 Q HA -0.272 4.069 4.340 0.003 0.000 0.202 457 Q C 2.021 178.027 176.000 0.010 0.000 0.980 457 Q CA 2.015 57.837 55.803 0.032 0.000 0.840 457 Q CB -0.234 28.525 28.738 0.035 0.000 0.898 457 Q HN 0.437 nan 8.270 nan 0.000 0.424 458 E N -0.131 120.068 120.200 -0.002 0.000 2.023 458 E HA -0.209 4.143 4.350 0.003 0.000 0.196 458 E C 1.876 178.459 176.600 -0.028 0.000 1.003 458 E CA 1.749 58.139 56.400 -0.018 0.000 0.809 458 E CB -0.404 29.277 29.700 -0.031 0.000 0.755 458 E HN 0.667 nan 8.360 nan 0.000 0.449 459 I N -2.143 118.403 120.570 -0.040 0.000 3.334 459 I HA 0.058 4.230 4.170 0.003 0.000 0.282 459 I C 1.895 177.991 176.117 -0.034 0.000 1.313 459 I CA 0.930 62.198 61.300 -0.054 0.000 1.396 459 I CB 0.059 38.008 38.000 -0.085 0.000 1.054 459 I HN 0.028 nan 8.210 nan 0.000 0.495 460 A N 1.260 124.072 122.820 -0.014 0.000 1.943 460 A HA -0.016 4.305 4.320 0.003 0.000 0.213 460 A C 1.846 179.427 177.584 -0.006 0.000 1.181 460 A CA 1.107 53.142 52.037 -0.002 0.000 0.653 460 A CB -0.304 18.705 19.000 0.015 0.000 0.833 460 A HN 0.436 nan 8.150 nan 0.000 0.451 461 D N 0.106 120.503 120.400 -0.007 0.000 2.106 461 D HA 0.105 4.747 4.640 0.003 0.000 0.203 461 D C 1.791 178.082 176.300 -0.015 0.000 0.977 461 D CA 1.400 55.396 54.000 -0.007 0.000 0.844 461 D CB -0.820 39.977 40.800 -0.004 0.000 1.002 461 D HN 0.433 nan 8.370 nan 0.000 0.461 462 R N 0.000 120.487 120.500 -0.022 0.000 2.786 462 R HA 0.000 4.342 4.340 0.003 0.000 0.208 462 R CA 0.000 56.083 56.100 -0.029 0.000 0.921 462 R CB 0.000 30.277 30.300 -0.038 0.000 0.687 462 R HN 0.000 nan 8.270 nan 0.000 0.535