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 3fy4_1_B DATA FIRST_RESID 4 DATA SEQUENCE GSGSLIWFRK GLRVHDNPAL EYASKGSEFM YPVFVIDPHY MESDPSAXSP DATA SEQUENCE GSSRAGVNRI RFLLESLKDL DSSLKKLGSR LLVFKGEPGE VLVRCLQEWK DATA SEQUENCE VKRLCFEYDT DPYYQALDVK VKDYASSTGV EVFSPVSHTL FNPAXIIEKN DATA SEQUENCE GGKPPLSYQS FLKVAGEPSC AKSELVMSYS SLPPIGDIGN LGISEVPSLE DATA SEQUENCE ELGYKDDEQA DWTPFRGGES EALKRLTKSI SDKAWVANFE KPKGDPSAFL DATA SEQUENCE KPATTVMSPY LKFGCLSSRY FYQCLQNIYK DVKKHTSPPV SLLGQLLWRE DATA SEQUENCE FFYTTAFGTP NFDKMKGNRI CKQIPWNEDH AMLAAWRDGK TGYPWIDAIM DATA SEQUENCE VQLLKWGWMH HLARHCVACF LTRGDLFIHW EQGRDVFERL LIDSDWAINN DATA SEQUENCE GNWMWLSCSS FFYQFNRIYS PISFGKKYDP DGKYIRHFLP VLKDMPKQYI DATA SEQUENCE YEPWTAPLSV QTKANCIVGK DYPKPMVLHD SASKECKRKM GEAYALNKKM DATA SEQUENCE DGKVDEENLR DLRRKLQKDE HEE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 G HA2 0.000 nan 3.960 nan 0.000 0.244 4 G HA3 0.000 3.959 3.960 -0.001 0.000 0.244 4 G C 0.000 174.951 174.900 0.086 0.000 0.946 4 G CA 0.000 45.130 45.100 0.050 0.000 0.502 5 S N -0.756 114.913 115.700 -0.053 0.000 2.811 5 S HA 0.893 5.362 4.470 -0.001 0.000 0.311 5 S C 0.246 174.359 174.600 -0.813 0.000 1.152 5 S CA 0.000 58.087 58.200 -0.188 0.000 0.864 5 S CB 1.736 64.977 63.200 0.069 0.000 1.226 5 S HN 1.141 nan 8.310 nan 0.000 0.541 6 G N 0.211 108.280 108.800 -1.218 0.000 3.107 6 G HA2 0.712 4.671 3.960 -0.001 0.000 0.232 6 G HA3 0.712 4.671 3.960 -0.001 0.000 0.232 6 G C -0.435 174.341 174.900 -0.206 0.000 1.339 6 G CA -0.272 44.277 45.100 -0.919 0.000 1.033 6 G HN 1.403 nan 8.290 nan 0.000 0.567 7 S N -1.708 113.966 115.700 -0.044 0.000 2.751 7 S HA 0.760 5.229 4.470 -0.001 0.000 0.310 7 S C -1.316 173.441 174.600 0.261 0.000 1.128 7 S CA -0.722 57.527 58.200 0.081 0.000 0.931 7 S CB 1.859 65.052 63.200 -0.012 0.000 1.177 7 S HN 1.358 nan 8.310 nan 0.000 0.530 8 L N 1.113 122.495 121.223 0.265 0.000 2.504 8 L HA 0.669 5.008 4.340 -0.001 0.000 0.265 8 L C -1.463 175.598 176.870 0.318 0.000 0.975 8 L CA -0.973 54.079 54.840 0.353 0.000 0.864 8 L CB 1.060 43.357 42.059 0.397 0.000 1.212 8 L HN 0.831 nan 8.230 nan 0.000 0.416 9 I N 5.408 126.150 120.570 0.287 0.000 2.312 9 I HA 0.463 4.632 4.170 -0.001 0.000 0.291 9 I C -1.313 174.971 176.117 0.278 0.000 1.031 9 I CA -0.185 61.235 61.300 0.201 0.000 1.293 9 I CB 0.781 38.825 38.000 0.073 0.000 1.403 9 I HN 0.762 nan 8.210 nan 0.000 0.484 10 W N 9.225 130.556 121.300 0.051 0.000 2.391 10 W HA 0.501 5.160 4.660 -0.001 0.000 0.311 10 W C -1.725 174.776 176.519 -0.031 0.000 1.087 10 W CA -1.491 55.911 57.345 0.095 0.000 1.209 10 W CB 0.633 30.138 29.460 0.074 0.000 1.273 10 W HN 0.314 nan 8.180 nan 0.000 0.482 11 F N 6.802 126.990 119.950 0.398 0.000 2.420 11 F HA 0.438 4.965 4.527 -0.001 0.000 0.342 11 F C 0.912 176.792 175.800 0.133 0.000 1.113 11 F CA -0.500 57.643 58.000 0.238 0.000 1.059 11 F CB 1.520 40.764 39.000 0.407 0.000 1.128 11 F HN 0.336 nan 8.300 nan 0.000 0.475 12 R N 1.051 121.610 120.500 0.098 0.000 3.749 12 R HA 0.313 4.652 4.340 -0.001 0.000 0.142 12 R C -0.089 176.320 176.300 0.182 0.000 0.750 12 R CA -0.124 55.990 56.100 0.022 0.000 1.004 12 R CB 0.219 30.201 30.300 -0.529 0.000 1.509 12 R HN 0.377 nan 8.270 nan 0.000 0.494 13 K N -0.678 119.681 120.400 -0.068 0.000 2.270 13 K HA 0.498 4.817 4.320 -0.001 0.000 0.248 13 K C -0.170 176.509 176.600 0.132 0.000 1.076 13 K CA -0.431 55.865 56.287 0.015 0.000 0.957 13 K CB 1.053 33.373 32.500 -0.301 0.000 1.400 13 K HN 0.294 nan 8.250 nan 0.000 0.573 14 G N 1.432 110.340 108.800 0.179 0.000 2.366 14 G HA2 -0.236 3.723 3.960 -0.001 0.000 0.299 14 G HA3 -0.236 3.723 3.960 -0.001 0.000 0.299 14 G C -0.119 174.963 174.900 0.302 0.000 1.020 14 G CA 0.104 45.324 45.100 0.200 0.000 1.026 14 G HN 0.336 nan 8.290 nan 0.000 0.512 15 L N 0.441 121.842 121.223 0.296 0.000 2.436 15 L HA 0.327 4.666 4.340 -0.001 0.000 0.244 15 L C 1.295 178.241 176.870 0.127 0.000 1.396 15 L CA 0.231 55.200 54.840 0.215 0.000 1.217 15 L CB -0.627 41.496 42.059 0.107 0.000 1.420 15 L HN 0.682 nan 8.230 nan 0.000 0.434 16 R N -0.982 119.621 120.500 0.173 0.000 2.733 16 R HA 0.497 4.836 4.340 -0.001 0.000 0.272 16 R C -0.605 175.764 176.300 0.114 0.000 1.029 16 R CA -1.036 55.108 56.100 0.074 0.000 0.888 16 R CB 1.329 31.584 30.300 -0.075 0.000 1.251 16 R HN -0.174 nan 8.270 nan 0.000 0.464 17 V N 0.005 119.970 119.914 0.086 0.000 3.085 17 V HA 0.033 4.153 4.120 -0.001 0.000 0.245 17 V C 0.862 177.068 176.094 0.188 0.000 1.114 17 V CA 0.852 63.234 62.300 0.137 0.000 1.108 17 V CB -0.645 31.253 31.823 0.125 0.000 0.798 17 V HN 0.809 nan 8.190 nan 0.000 0.471 18 H N 0.387 119.525 119.070 0.114 0.000 2.615 18 H HA 0.164 4.720 4.556 -0.001 0.000 0.363 18 H C 0.157 175.528 175.328 0.072 0.000 1.148 18 H CA 0.261 56.342 56.048 0.056 0.000 1.401 18 H CB 0.522 30.224 29.762 -0.100 0.000 1.461 18 H HN 0.228 nan 8.280 nan 0.000 0.588 19 D N 0.919 121.380 120.400 0.102 0.000 2.740 19 D HA -0.239 4.401 4.640 -0.001 0.000 0.231 19 D C -0.760 175.555 176.300 0.025 0.000 1.194 19 D CA 0.634 54.675 54.000 0.068 0.000 0.673 19 D CB -1.281 39.589 40.800 0.117 0.000 0.995 19 D HN 0.699 nan 8.370 nan 0.000 0.411 20 N N 0.908 119.662 118.700 0.090 0.000 2.904 20 N HA 0.280 5.019 4.740 -0.001 0.000 0.257 20 N C -2.018 173.568 175.510 0.128 0.000 1.363 20 N CA -1.892 51.206 53.050 0.081 0.000 0.856 20 N CB 1.218 39.766 38.487 0.101 0.000 1.166 20 N HN 0.042 nan 8.380 nan 0.000 0.499 21 P HA -0.158 nan 4.420 nan 0.000 0.216 21 P C 1.092 178.560 177.300 0.280 0.000 1.154 21 P CA 1.538 64.749 63.100 0.186 0.000 0.865 21 P CB 0.345 32.122 31.700 0.128 0.000 0.789 22 A N -0.729 122.141 122.820 0.083 0.000 1.908 22 A HA -0.213 4.107 4.320 -0.001 0.000 0.218 22 A C 2.272 179.972 177.584 0.192 0.000 1.181 22 A CA 1.545 53.633 52.037 0.087 0.000 0.627 22 A CB -1.669 17.252 19.000 -0.132 0.000 0.818 22 A HN 0.160 nan 8.150 nan 0.000 0.445 23 L N -0.804 120.483 121.223 0.107 0.000 2.027 23 L HA -0.197 4.142 4.340 -0.001 0.000 0.206 23 L C 2.666 179.640 176.870 0.175 0.000 1.074 23 L CA 2.169 57.062 54.840 0.087 0.000 0.745 23 L CB -0.446 41.637 42.059 0.041 0.000 0.898 23 L HN 0.673 nan 8.230 nan 0.000 0.433 24 E N -0.730 119.652 120.200 0.303 0.000 2.086 24 E HA -0.345 4.004 4.350 -0.001 0.000 0.200 24 E C 2.112 178.910 176.600 0.330 0.000 1.012 24 E CA 2.085 58.714 56.400 0.381 0.000 0.812 24 E CB -0.412 29.481 29.700 0.323 0.000 0.743 24 E HN 0.600 nan 8.360 nan 0.000 0.453 25 Y N 0.021 120.430 120.300 0.182 0.000 2.133 25 Y HA -0.194 4.356 4.550 -0.001 0.000 0.287 25 Y C 2.290 178.247 175.900 0.095 0.000 1.134 25 Y CA 1.132 59.294 58.100 0.103 0.000 1.133 25 Y CB -0.160 38.376 38.460 0.127 0.000 0.987 25 Y HN 0.190 nan 8.280 nan 0.000 0.502 26 A N -0.333 122.544 122.820 0.095 0.000 2.024 26 A HA -0.228 4.091 4.320 -0.001 0.000 0.220 26 A C 2.225 179.786 177.584 -0.038 0.000 1.164 26 A CA 1.958 53.976 52.037 -0.032 0.000 0.643 26 A CB -1.044 17.998 19.000 0.070 0.000 0.806 26 A HN 0.597 nan 8.150 nan 0.000 0.451 27 S N -1.059 114.655 115.700 0.024 0.000 2.496 27 S HA 0.067 4.536 4.470 -0.001 0.000 0.224 27 S C 0.827 175.443 174.600 0.026 0.000 0.996 27 S CA 0.398 58.610 58.200 0.020 0.000 0.927 27 S CB -0.253 62.974 63.200 0.046 0.000 0.774 27 S HN 0.505 nan 8.310 nan 0.000 0.524 28 K N 1.860 122.277 120.400 0.027 0.000 2.312 28 K HA 0.417 4.736 4.320 -0.001 0.000 0.287 28 K C 0.524 177.095 176.600 -0.049 0.000 1.062 28 K CA 0.437 56.740 56.287 0.026 0.000 0.934 28 K CB -0.096 32.463 32.500 0.098 0.000 1.027 28 K HN 0.358 nan 8.250 nan 0.000 0.478 29 G N 2.899 111.680 108.800 -0.031 0.000 2.363 29 G HA2 -0.226 3.733 3.960 -0.001 0.000 0.286 29 G HA3 -0.226 3.733 3.960 -0.001 0.000 0.286 29 G C -0.756 174.082 174.900 -0.103 0.000 0.975 29 G CA 0.446 45.513 45.100 -0.055 0.000 1.309 29 G HN 0.504 nan 8.290 nan 0.000 0.491 30 S N -0.243 115.391 115.700 -0.110 0.000 2.566 30 S HA 0.398 4.867 4.470 -0.001 0.000 0.273 30 S C 0.918 175.415 174.600 -0.172 0.000 1.157 30 S CA -0.466 57.623 58.200 -0.185 0.000 0.938 30 S CB 1.813 64.894 63.200 -0.199 0.000 1.087 30 S HN 0.474 nan 8.310 nan 0.000 0.474 31 E N 1.352 121.404 120.200 -0.246 0.000 2.017 31 E HA -0.071 4.278 4.350 -0.001 0.000 0.193 31 E C -0.050 176.552 176.600 0.004 0.000 0.997 31 E CA 1.504 57.855 56.400 -0.082 0.000 0.804 31 E CB -0.012 29.705 29.700 0.028 0.000 0.757 31 E HN 0.630 nan 8.360 nan 0.000 0.448 32 F N -0.934 118.981 119.950 -0.058 0.000 2.575 32 F HA 0.655 5.181 4.527 -0.001 0.000 0.330 32 F C -0.283 175.439 175.800 -0.130 0.000 1.056 32 F CA -1.515 56.394 58.000 -0.151 0.000 0.964 32 F CB 1.028 39.892 39.000 -0.227 0.000 1.258 32 F HN -0.237 nan 8.300 nan 0.000 0.484 33 M N 2.150 121.707 119.600 -0.072 0.000 2.322 33 M HA 0.463 4.942 4.480 -0.001 0.000 0.286 33 M C -2.412 173.801 176.300 -0.145 0.000 1.111 33 M CA -0.485 54.797 55.300 -0.029 0.000 0.941 33 M CB 2.021 34.607 32.600 -0.023 0.000 1.671 33 M HN 0.739 nan 8.290 nan 0.000 0.470 34 Y N 4.872 125.185 120.300 0.022 0.000 2.402 34 Y HA 0.494 5.043 4.550 -0.001 0.000 0.332 34 Y C -2.372 173.610 175.900 0.136 0.000 0.960 34 Y CA -2.080 55.994 58.100 -0.043 0.000 1.228 34 Y CB 0.860 39.152 38.460 -0.280 0.000 1.120 34 Y HN 0.396 nan 8.280 nan 0.000 0.491 35 P HA 0.261 nan 4.420 nan 0.000 0.293 35 P C -0.956 176.582 177.300 0.396 0.000 1.313 35 P CA -0.359 62.979 63.100 0.397 0.000 0.787 35 P CB 1.510 33.404 31.700 0.324 0.000 0.910 36 V N 3.927 124.165 119.914 0.540 0.000 2.962 36 V HA 0.808 4.927 4.120 -0.001 0.000 0.313 36 V C -1.968 174.509 176.094 0.637 0.000 1.099 36 V CA -1.118 61.443 62.300 0.436 0.000 0.971 36 V CB 2.170 34.227 31.823 0.390 0.000 1.028 36 V HN 0.339 nan 8.190 nan 0.000 0.430 37 F N 3.672 123.799 119.950 0.296 0.000 2.581 37 F HA 0.803 5.330 4.527 -0.001 0.000 0.311 37 F C -1.101 174.872 175.800 0.288 0.000 1.113 37 F CA -0.587 57.634 58.000 0.368 0.000 0.935 37 F CB 2.239 41.371 39.000 0.220 0.000 1.232 37 F HN 0.523 nan 8.300 nan 0.000 0.445 38 V N 6.959 126.694 119.914 -0.297 0.000 2.357 38 V HA 0.337 4.457 4.120 -0.001 0.000 0.284 38 V C -0.022 175.995 176.094 -0.128 0.000 1.018 38 V CA -0.801 61.465 62.300 -0.056 0.000 0.841 38 V CB 1.302 33.151 31.823 0.043 0.000 0.991 38 V HN 0.493 nan 8.190 nan 0.000 0.437 39 I N 4.101 124.760 120.570 0.149 0.000 2.436 39 I HA 0.172 4.341 4.170 -0.001 0.000 0.289 39 I C 0.269 176.500 176.117 0.191 0.000 1.083 39 I CA 0.292 61.736 61.300 0.240 0.000 1.372 39 I CB 0.822 38.985 38.000 0.272 0.000 1.408 39 I HN 0.629 nan 8.210 nan 0.000 0.516 40 D N 9.899 130.430 120.400 0.218 0.000 2.347 40 D HA 0.255 4.894 4.640 -0.001 0.000 0.235 40 D C -1.718 174.723 176.300 0.235 0.000 1.149 40 D CA -2.197 51.948 54.000 0.241 0.000 0.850 40 D CB 1.892 42.899 40.800 0.344 0.000 1.061 40 D HN 0.174 nan 8.370 nan 0.000 0.487 41 P HA -0.174 nan 4.420 nan 0.000 0.218 41 P C 1.180 178.526 177.300 0.075 0.000 1.146 41 P CA 0.967 64.133 63.100 0.110 0.000 0.813 41 P CB 0.034 31.779 31.700 0.074 0.000 0.778 42 H N -1.781 117.281 119.070 -0.013 0.000 2.462 42 H HA -0.064 4.492 4.556 -0.001 0.000 0.292 42 H C 0.885 176.019 175.328 -0.324 0.000 1.049 42 H CA 1.297 57.230 56.048 -0.192 0.000 1.334 42 H CB 0.009 29.591 29.762 -0.301 0.000 1.404 42 H HN 0.185 nan 8.280 nan 0.000 0.544 43 Y N -1.601 118.740 120.300 0.069 0.000 2.442 43 Y HA 0.105 4.654 4.550 -0.001 0.000 0.250 43 Y C 2.073 178.021 175.900 0.081 0.000 1.113 43 Y CA 0.065 58.190 58.100 0.041 0.000 1.273 43 Y CB 0.498 38.994 38.460 0.059 0.000 1.138 43 Y HN 0.107 nan 8.280 nan 0.000 0.522 44 M N -0.785 118.944 119.600 0.214 0.000 2.638 44 M HA 0.153 4.632 4.480 -0.001 0.000 0.256 44 M C 0.212 176.647 176.300 0.225 0.000 1.282 44 M CA 0.546 55.985 55.300 0.232 0.000 1.155 44 M CB 0.683 33.430 32.600 0.246 0.000 1.345 44 M HN -0.141 nan 8.290 nan 0.000 0.523 45 E N 0.518 120.775 120.200 0.095 0.000 2.383 45 E HA 0.110 4.460 4.350 -0.001 0.000 0.264 45 E C -0.234 176.297 176.600 -0.115 0.000 1.050 45 E CA -0.210 56.171 56.400 -0.031 0.000 0.896 45 E CB 0.832 30.491 29.700 -0.069 0.000 0.982 45 E HN 0.101 nan 8.360 nan 0.000 0.424 46 S N 1.678 117.068 115.700 -0.517 0.000 2.558 46 S HA -0.099 4.370 4.470 -0.001 0.000 0.293 46 S C -0.468 174.018 174.600 -0.189 0.000 1.292 46 S CA -0.009 57.858 58.200 -0.555 0.000 1.063 46 S CB 0.267 62.920 63.200 -0.910 0.000 0.831 46 S HN 0.455 nan 8.310 nan 0.000 0.499 47 D N 4.498 124.863 120.400 -0.058 0.000 2.469 47 D HA 0.454 5.093 4.640 -0.001 0.000 0.251 47 D C -2.000 174.285 176.300 -0.025 0.000 1.173 47 D CA -2.140 51.826 54.000 -0.057 0.000 0.882 47 D CB 1.682 42.443 40.800 -0.065 0.000 1.129 47 D HN 0.224 nan 8.370 nan 0.000 0.549 48 P HA -0.001 nan 4.420 nan 0.000 0.231 48 P C 0.709 178.001 177.300 -0.013 0.000 1.158 48 P CA 0.536 63.624 63.100 -0.019 0.000 0.763 48 P CB 0.435 32.117 31.700 -0.029 0.000 0.805 49 S N -1.325 114.362 115.700 -0.020 0.000 2.528 49 S HA 0.237 4.707 4.470 -0.001 0.000 0.219 49 S C 1.145 175.738 174.600 -0.010 0.000 0.985 49 S CA 0.025 58.214 58.200 -0.019 0.000 0.914 49 S CB -0.266 62.916 63.200 -0.029 0.000 0.776 49 S HN 0.182 nan 8.310 nan 0.000 0.526 53 P HA 0.496 nan 4.420 nan 0.000 0.261 53 P C 0.660 177.986 177.300 0.043 0.000 1.173 53 P CA 1.532 64.671 63.100 0.066 0.000 0.760 53 P CB 0.029 31.742 31.700 0.022 0.000 0.783 54 G N 1.147 110.067 108.800 0.201 0.000 2.320 54 G HA2 0.254 4.213 3.960 -0.001 0.000 0.274 54 G HA3 0.254 4.213 3.960 -0.001 0.000 0.274 54 G C -0.415 174.653 174.900 0.281 0.000 1.324 54 G CA -0.084 45.121 45.100 0.175 0.000 0.957 54 G HN 0.616 nan 8.290 nan 0.000 0.481 55 S N -1.094 114.712 115.700 0.175 0.000 2.623 55 S HA 0.628 5.097 4.470 -0.001 0.000 0.278 55 S C 1.831 176.419 174.600 -0.019 0.000 1.148 55 S CA 0.905 59.139 58.200 0.057 0.000 1.028 55 S CB 1.140 64.352 63.200 0.019 0.000 1.145 55 S HN 2.079 nan 8.310 nan 0.000 0.523 56 S N -0.313 115.306 115.700 -0.136 0.000 2.522 56 S HA 0.129 4.598 4.470 -0.001 0.000 0.227 56 S C 1.086 175.656 174.600 -0.051 0.000 0.986 56 S CA -0.095 58.037 58.200 -0.113 0.000 0.929 56 S CB -0.489 62.595 63.200 -0.193 0.000 0.769 56 S HN 0.713 nan 8.310 nan 0.000 0.529 57 R N 0.344 120.832 120.500 -0.020 0.000 2.538 57 R HA 0.529 4.869 4.340 -0.001 0.000 0.372 57 R C -0.474 175.915 176.300 0.149 0.000 0.950 57 R CA 0.341 56.498 56.100 0.094 0.000 1.168 57 R CB 1.363 31.772 30.300 0.183 0.000 1.542 57 R HN 0.340 nan 8.270 nan 0.000 0.536 58 A N 0.523 123.414 122.820 0.119 0.000 2.465 58 A HA 0.644 4.963 4.320 -0.001 0.000 0.292 58 A C -0.221 177.411 177.584 0.080 0.000 1.041 58 A CA -0.565 51.550 52.037 0.130 0.000 0.718 58 A CB 1.374 20.484 19.000 0.184 0.000 1.266 58 A HN 0.168 nan 8.150 nan 0.000 0.403 59 G N 0.220 109.054 108.800 0.057 0.000 2.539 59 G HA2 0.503 4.462 3.960 -0.001 0.000 0.258 59 G HA3 0.503 4.462 3.960 -0.001 0.000 0.258 59 G C 1.245 176.110 174.900 -0.058 0.000 1.202 59 G CA 0.095 45.199 45.100 0.006 0.000 0.851 59 G HN 1.878 nan 8.290 nan 0.000 0.556 60 V N 0.281 120.094 119.914 -0.168 0.000 2.380 60 V HA -0.287 3.832 4.120 -0.001 0.000 0.251 60 V C 2.016 178.003 176.094 -0.179 0.000 1.063 60 V CA 2.465 64.576 62.300 -0.315 0.000 1.055 60 V CB -1.193 30.379 31.823 -0.420 0.000 0.657 60 V HN 0.762 nan 8.190 nan 0.000 0.455 61 N N 0.418 119.065 118.700 -0.087 0.000 2.036 61 N HA -0.257 4.482 4.740 -0.001 0.000 0.195 61 N C 2.170 177.711 175.510 0.052 0.000 1.037 61 N CA 2.058 55.102 53.050 -0.011 0.000 0.855 61 N CB -0.299 38.220 38.487 0.053 0.000 1.033 61 N HN 0.522 nan 8.380 nan 0.000 0.423 62 R N 0.797 121.343 120.500 0.077 0.000 2.115 62 R HA 0.049 4.388 4.340 -0.001 0.000 0.226 62 R C 1.984 178.379 176.300 0.158 0.000 1.100 62 R CA 0.640 56.840 56.100 0.168 0.000 0.980 62 R CB 0.003 30.429 30.300 0.210 0.000 0.875 62 R HN 0.257 nan 8.270 nan 0.000 0.445 63 I N 0.087 120.694 120.570 0.061 0.000 2.315 63 I HA -0.250 3.919 4.170 -0.001 0.000 0.248 63 I C 2.704 178.797 176.117 -0.041 0.000 1.117 63 I CA 1.037 62.354 61.300 0.027 0.000 1.404 63 I CB -0.310 37.667 38.000 -0.039 0.000 1.071 63 I HN 0.203 nan 8.210 nan 0.000 0.419 64 R N 0.805 121.251 120.500 -0.089 0.000 2.075 64 R HA -0.209 4.130 4.340 -0.001 0.000 0.232 64 R C 2.458 178.704 176.300 -0.089 0.000 1.126 64 R CA 1.630 57.649 56.100 -0.136 0.000 0.963 64 R CB -0.393 29.773 30.300 -0.224 0.000 0.858 64 R HN 0.218 nan 8.270 nan 0.000 0.435 65 F N 1.268 121.115 119.950 -0.172 0.000 2.095 65 F HA -0.276 4.250 4.527 -0.001 0.000 0.298 65 F C 2.026 177.571 175.800 -0.425 0.000 1.104 65 F CA 1.557 59.422 58.000 -0.225 0.000 1.232 65 F CB -0.329 38.569 39.000 -0.170 0.000 0.987 65 F HN 0.110 nan 8.300 nan 0.000 0.475 66 L N 0.477 121.514 121.223 -0.311 0.000 1.994 66 L HA -0.182 4.157 4.340 -0.001 0.000 0.208 66 L C 2.127 178.779 176.870 -0.365 0.000 1.071 66 L CA 1.821 56.334 54.840 -0.544 0.000 0.745 66 L CB -1.125 40.768 42.059 -0.276 0.000 0.892 66 L HN 0.237 nan 8.230 nan 0.000 0.431 67 L N -0.561 120.533 121.223 -0.215 0.000 2.081 67 L HA -0.257 4.082 4.340 -0.001 0.000 0.212 67 L C 2.544 179.283 176.870 -0.218 0.000 1.080 67 L CA 1.716 56.451 54.840 -0.175 0.000 0.754 67 L CB -0.637 41.361 42.059 -0.102 0.000 0.893 67 L HN 0.413 nan 8.230 nan 0.000 0.433 68 E N -0.547 119.500 120.200 -0.255 0.000 2.106 68 E HA -0.144 4.206 4.350 -0.001 0.000 0.192 68 E C 2.317 178.728 176.600 -0.315 0.000 0.984 68 E CA 1.241 57.487 56.400 -0.256 0.000 0.806 68 E CB 0.041 29.578 29.700 -0.270 0.000 0.750 68 E HN 0.367 nan 8.360 nan 0.000 0.458 69 S N 1.012 116.453 115.700 -0.432 0.000 2.368 69 S HA -0.125 4.344 4.470 -0.001 0.000 0.225 69 S C 2.011 176.417 174.600 -0.323 0.000 1.030 69 S CA 0.803 58.769 58.200 -0.390 0.000 0.999 69 S CB -0.170 62.761 63.200 -0.448 0.000 0.844 69 S HN 0.182 nan 8.310 nan 0.000 0.459 70 L N 1.125 122.125 121.223 -0.371 0.000 2.017 70 L HA -0.127 4.212 4.340 -0.001 0.000 0.208 70 L C 2.523 179.232 176.870 -0.269 0.000 1.073 70 L CA 1.300 55.907 54.840 -0.388 0.000 0.745 70 L CB -0.510 41.285 42.059 -0.440 0.000 0.894 70 L HN 0.233 nan 8.230 nan 0.000 0.432 71 K N 0.037 120.311 120.400 -0.209 0.000 2.044 71 K HA -0.275 4.045 4.320 -0.001 0.000 0.210 71 K C 1.760 178.275 176.600 -0.143 0.000 1.049 71 K CA 2.190 58.387 56.287 -0.149 0.000 0.927 71 K CB -0.286 32.145 32.500 -0.115 0.000 0.713 71 K HN 0.293 nan 8.250 nan 0.000 0.443 72 D N 0.603 120.911 120.400 -0.153 0.000 2.092 72 D HA -0.194 4.445 4.640 -0.001 0.000 0.193 72 D C 1.879 178.100 176.300 -0.133 0.000 0.994 72 D CA 0.873 54.798 54.000 -0.125 0.000 0.828 72 D CB -0.007 40.721 40.800 -0.119 0.000 0.963 72 D HN 0.007 nan 8.370 nan 0.000 0.450 73 L N 0.783 121.896 121.223 -0.183 0.000 2.043 73 L HA -0.167 4.172 4.340 -0.001 0.000 0.212 73 L C 1.745 178.490 176.870 -0.208 0.000 1.075 73 L CA 2.262 56.968 54.840 -0.224 0.000 0.752 73 L CB -1.094 40.742 42.059 -0.373 0.000 0.891 73 L HN 0.145 nan 8.230 nan 0.000 0.432 74 D N -1.318 118.963 120.400 -0.198 0.000 2.092 74 D HA -0.196 4.444 4.640 -0.001 0.000 0.193 74 D C 2.101 178.337 176.300 -0.107 0.000 0.994 74 D CA 1.721 55.631 54.000 -0.150 0.000 0.828 74 D CB -0.053 40.670 40.800 -0.129 0.000 0.963 74 D HN 0.422 nan 8.370 nan 0.000 0.450 75 S N -0.631 115.013 115.700 -0.094 0.000 2.383 75 S HA -0.171 4.299 4.470 -0.001 0.000 0.229 75 S C 2.174 176.738 174.600 -0.059 0.000 1.030 75 S CA 1.162 59.321 58.200 -0.068 0.000 1.002 75 S CB -0.390 62.773 63.200 -0.062 0.000 0.829 75 S HN 0.228 nan 8.310 nan 0.000 0.467 76 S N 1.622 117.282 115.700 -0.067 0.000 2.356 76 S HA 0.037 4.506 4.470 -0.001 0.000 0.223 76 S C 1.806 176.378 174.600 -0.046 0.000 1.032 76 S CA 0.963 59.136 58.200 -0.045 0.000 1.005 76 S CB -0.422 62.754 63.200 -0.040 0.000 0.867 76 S HN 0.383 nan 8.310 nan 0.000 0.449 77 L N 1.031 122.212 121.223 -0.070 0.000 2.093 77 L HA -0.104 4.235 4.340 -0.001 0.000 0.208 77 L C 2.399 179.237 176.870 -0.052 0.000 1.085 77 L CA 1.138 55.940 54.840 -0.065 0.000 0.755 77 L CB -0.448 41.563 42.059 -0.079 0.000 0.904 77 L HN 0.248 nan 8.230 nan 0.000 0.435 78 K N 0.426 120.795 120.400 -0.052 0.000 2.057 78 K HA -0.176 4.143 4.320 -0.001 0.000 0.207 78 K C 2.074 178.655 176.600 -0.031 0.000 1.049 78 K CA 1.259 57.521 56.287 -0.042 0.000 0.931 78 K CB -0.093 32.382 32.500 -0.042 0.000 0.714 78 K HN 0.247 nan 8.250 nan 0.000 0.440 79 K N 0.331 120.716 120.400 -0.026 0.000 2.218 79 K HA -0.133 4.187 4.320 -0.001 0.000 0.205 79 K C 1.126 177.721 176.600 -0.007 0.000 1.046 79 K CA 0.849 57.128 56.287 -0.015 0.000 0.933 79 K CB 0.023 32.518 32.500 -0.009 0.000 0.728 79 K HN -0.005 nan 8.250 nan 0.000 0.454 80 L N -0.204 121.012 121.223 -0.012 0.000 2.653 80 L HA 0.189 4.528 4.340 -0.001 0.000 0.231 80 L C 0.716 177.576 176.870 -0.016 0.000 1.153 80 L CA 0.545 55.382 54.840 -0.005 0.000 0.933 80 L CB -0.053 42.001 42.059 -0.009 0.000 1.175 80 L HN 0.349 nan 8.230 nan 0.000 0.473 81 G N -0.805 107.981 108.800 -0.023 0.000 2.225 81 G HA2 -0.262 3.697 3.960 -0.001 0.000 0.264 81 G HA3 -0.262 3.697 3.960 -0.001 0.000 0.264 81 G C 0.442 175.315 174.900 -0.045 0.000 1.060 81 G CA 0.603 45.685 45.100 -0.030 0.000 0.833 81 G HN 0.455 nan 8.290 nan 0.000 0.498 82 S N -1.256 114.414 115.700 -0.051 0.000 3.081 82 S HA 0.933 5.402 4.470 -0.001 0.000 0.316 82 S C 0.038 174.600 174.600 -0.064 0.000 1.089 82 S CA 0.208 58.369 58.200 -0.065 0.000 0.897 82 S CB 1.850 65.014 63.200 -0.060 0.000 1.358 82 S HN 0.935 nan 8.310 nan 0.000 0.678 83 R N -0.440 120.022 120.500 -0.064 0.000 2.774 83 R HA 0.363 4.702 4.340 -0.001 0.000 0.279 83 R C -2.448 173.819 176.300 -0.056 0.000 1.022 83 R CA -0.568 55.495 56.100 -0.063 0.000 0.855 83 R CB 0.693 30.956 30.300 -0.061 0.000 1.279 83 R HN 0.528 nan 8.270 nan 0.000 0.485 84 L N 2.889 124.070 121.223 -0.071 0.000 2.296 84 L HA 0.500 4.839 4.340 -0.001 0.000 0.286 84 L C -1.047 175.783 176.870 -0.067 0.000 1.023 84 L CA -0.255 54.543 54.840 -0.070 0.000 0.812 84 L CB 1.279 43.258 42.059 -0.135 0.000 1.223 84 L HN 0.472 nan 8.230 nan 0.000 0.421 85 L N 6.483 127.669 121.223 -0.062 0.000 2.259 85 L HA 0.458 4.797 4.340 -0.001 0.000 0.288 85 L C -0.623 175.991 176.870 -0.428 0.000 1.051 85 L CA -0.672 54.023 54.840 -0.242 0.000 0.824 85 L CB 1.207 43.172 42.059 -0.156 0.000 1.206 85 L HN 0.314 nan 8.230 nan 0.000 0.429 86 V N 4.134 123.830 119.914 -0.363 0.000 2.427 86 V HA 0.476 4.595 4.120 -0.001 0.000 0.286 86 V C -0.085 175.877 176.094 -0.220 0.000 1.034 86 V CA -0.194 62.008 62.300 -0.164 0.000 0.893 86 V CB 1.351 33.200 31.823 0.044 0.000 0.982 86 V HN 0.424 nan 8.190 nan 0.000 0.452 87 F N 2.665 122.724 119.950 0.181 0.000 2.631 87 F HA 0.665 5.192 4.527 -0.001 0.000 0.328 87 F C 0.161 176.017 175.800 0.093 0.000 1.067 87 F CA -1.247 56.817 58.000 0.107 0.000 0.969 87 F CB 2.382 41.415 39.000 0.056 0.000 1.332 87 F HN 0.251 nan 8.300 nan 0.000 0.490 88 K N 0.465 121.034 120.400 0.281 0.000 2.318 88 K HA 0.824 5.143 4.320 -0.001 0.000 0.249 88 K C -0.428 176.230 176.600 0.095 0.000 0.942 88 K CA -0.786 55.602 56.287 0.168 0.000 0.808 88 K CB 2.256 34.838 32.500 0.137 0.000 1.189 88 K HN 0.905 nan 8.250 nan 0.000 0.428 89 G N 1.100 109.949 108.800 0.081 0.000 2.343 89 G HA2 -0.037 3.922 3.960 -0.001 0.000 0.465 89 G HA3 -0.037 3.922 3.960 -0.001 0.000 0.465 89 G C -1.634 173.296 174.900 0.049 0.000 1.282 89 G CA -1.019 44.103 45.100 0.038 0.000 0.996 89 G HN 0.644 nan 8.290 nan 0.000 0.521 90 E N 0.657 120.869 120.200 0.020 0.000 2.290 90 E HA 0.571 4.920 4.350 -0.001 0.000 0.277 90 E C -1.411 175.179 176.600 -0.017 0.000 1.035 90 E CA -0.935 55.485 56.400 0.034 0.000 0.873 90 E CB 1.309 31.015 29.700 0.009 0.000 1.029 90 E HN 0.154 nan 8.360 nan 0.000 0.419 91 P HA -0.279 nan 4.420 nan 0.000 0.219 91 P C 1.230 178.408 177.300 -0.202 0.000 1.161 91 P CA 2.514 65.594 63.100 -0.032 0.000 0.909 91 P CB -0.023 31.762 31.700 0.142 0.000 0.793 92 G N -0.323 108.373 108.800 -0.174 0.000 2.545 92 G HA2 -0.320 3.639 3.960 -0.001 0.000 0.217 92 G HA3 -0.320 3.639 3.960 -0.001 0.000 0.217 92 G C 1.461 176.188 174.900 -0.288 0.000 1.218 92 G CA 1.259 46.217 45.100 -0.237 0.000 0.787 92 G HN 0.292 nan 8.290 nan 0.000 0.571 93 E N -0.315 119.751 120.200 -0.224 0.000 2.070 93 E HA -0.142 4.207 4.350 -0.001 0.000 0.197 93 E C 2.782 179.204 176.600 -0.297 0.000 1.004 93 E CA 1.326 57.582 56.400 -0.239 0.000 0.805 93 E CB -0.212 29.386 29.700 -0.170 0.000 0.744 93 E HN 0.302 nan 8.360 nan 0.000 0.451 94 V N 1.368 121.118 119.914 -0.274 0.000 2.295 94 V HA -0.248 3.871 4.120 -0.001 0.000 0.246 94 V C 2.305 178.153 176.094 -0.411 0.000 1.049 94 V CA 1.197 63.309 62.300 -0.313 0.000 1.024 94 V CB -0.424 31.284 31.823 -0.191 0.000 0.648 94 V HN 0.324 nan 8.190 nan 0.000 0.447 95 L N -0.094 120.838 121.223 -0.486 0.000 2.042 95 L HA -0.151 4.189 4.340 -0.001 0.000 0.210 95 L C 2.506 179.064 176.870 -0.520 0.000 1.076 95 L CA 1.893 56.375 54.840 -0.596 0.000 0.749 95 L CB -0.926 40.608 42.059 -0.876 0.000 0.893 95 L HN 0.238 nan 8.230 nan 0.000 0.432 96 V N -0.405 119.176 119.914 -0.556 0.000 2.343 96 V HA -0.270 3.850 4.120 -0.001 0.000 0.247 96 V C 2.718 178.493 176.094 -0.532 0.000 1.051 96 V CA 1.737 63.611 62.300 -0.710 0.000 1.036 96 V CB -0.620 30.722 31.823 -0.801 0.000 0.654 96 V HN 0.445 nan 8.190 nan 0.000 0.451 97 R N -0.996 119.225 120.500 -0.465 0.000 2.115 97 R HA -0.154 4.186 4.340 -0.001 0.000 0.230 97 R C 2.244 178.204 176.300 -0.566 0.000 1.111 97 R CA 1.759 57.597 56.100 -0.436 0.000 0.976 97 R CB -0.438 29.613 30.300 -0.414 0.000 0.870 97 R HN 0.531 nan 8.270 nan 0.000 0.445 98 C N 0.242 119.149 119.300 -0.655 0.000 2.457 98 C HA 0.027 4.487 4.460 -0.001 0.000 0.278 98 C C 2.446 177.006 174.990 -0.718 0.000 1.309 98 C CA 0.368 58.795 59.018 -0.986 0.000 1.735 98 C CB -0.692 26.582 27.740 -0.776 0.000 1.992 98 C HN 0.493 nan 8.230 nan 0.000 0.493 99 L N 0.109 121.106 121.223 -0.377 0.000 2.156 99 L HA -0.161 4.178 4.340 -0.001 0.000 0.208 99 L C 2.677 179.495 176.870 -0.087 0.000 1.095 99 L CA 1.332 56.096 54.840 -0.127 0.000 0.770 99 L CB -0.648 41.413 42.059 0.004 0.000 0.914 99 L HN 0.475 nan 8.230 nan 0.000 0.439 100 Q N -0.382 119.319 119.800 -0.165 0.000 2.062 100 Q HA -0.216 4.123 4.340 -0.001 0.000 0.196 100 Q C 2.057 177.968 176.000 -0.148 0.000 0.967 100 Q CA 1.259 57.003 55.803 -0.098 0.000 0.832 100 Q CB 0.013 28.686 28.738 -0.108 0.000 0.899 100 Q HN 0.282 nan 8.270 nan 0.000 0.442 101 E N -0.008 120.000 120.200 -0.320 0.000 2.051 101 E HA -0.125 4.225 4.350 -0.001 0.000 0.192 101 E C -0.004 176.506 176.600 -0.151 0.000 0.991 101 E CA 0.938 57.142 56.400 -0.327 0.000 0.799 101 E CB 0.143 29.485 29.700 -0.596 0.000 0.748 101 E HN 0.169 nan 8.360 nan 0.000 0.449 102 W N 0.070 121.287 121.300 -0.139 0.000 2.353 102 W HA 0.505 5.164 4.660 -0.001 0.000 0.377 102 W C -0.082 176.419 176.519 -0.029 0.000 1.375 102 W CA -0.751 56.507 57.345 -0.146 0.000 1.503 102 W CB 0.132 29.315 29.460 -0.462 0.000 1.345 102 W HN -0.255 nan 8.180 nan 0.000 0.683 103 K N 2.086 122.695 120.400 0.349 0.000 2.575 103 K HA 0.368 4.687 4.320 -0.001 0.000 0.236 103 K C -0.895 175.902 176.600 0.329 0.000 0.976 103 K CA -0.595 55.856 56.287 0.273 0.000 0.985 103 K CB 1.105 33.744 32.500 0.231 0.000 1.198 103 K HN 0.318 nan 8.250 nan 0.000 0.464 104 V N -0.139 119.926 119.914 0.251 0.000 2.495 104 V HA 0.537 4.656 4.120 -0.001 0.000 0.298 104 V C 0.544 176.717 176.094 0.131 0.000 1.031 104 V CA -0.896 61.528 62.300 0.206 0.000 0.871 104 V CB 2.122 34.096 31.823 0.251 0.000 0.988 104 V HN 0.323 nan 8.190 nan 0.000 0.432 105 K N 1.958 122.400 120.400 0.071 0.000 2.374 105 K HA 0.354 4.673 4.320 -0.001 0.000 0.196 105 K C 0.567 177.199 176.600 0.053 0.000 1.023 105 K CA 0.289 56.608 56.287 0.054 0.000 1.103 105 K CB 0.106 32.617 32.500 0.018 0.000 0.848 105 K HN 0.811 nan 8.250 nan 0.000 0.528 106 R N 0.546 121.079 120.500 0.056 0.000 2.502 106 R HA 0.393 4.732 4.340 -0.001 0.000 0.300 106 R C -1.902 174.483 176.300 0.141 0.000 0.984 106 R CA -0.712 55.421 56.100 0.055 0.000 0.882 106 R CB 0.796 31.044 30.300 -0.087 0.000 1.180 106 R HN -0.036 nan 8.270 nan 0.000 0.444 107 L N 5.469 126.822 121.223 0.218 0.000 2.343 107 L HA 0.592 4.932 4.340 -0.001 0.000 0.278 107 L C -1.603 175.503 176.870 0.392 0.000 0.996 107 L CA -0.380 54.651 54.840 0.319 0.000 0.831 107 L CB 1.318 43.588 42.059 0.352 0.000 1.232 107 L HN 0.769 nan 8.230 nan 0.000 0.413 108 C N 5.141 124.677 119.300 0.394 0.000 2.561 108 C HA 0.903 5.362 4.460 -0.001 0.000 0.319 108 C C -0.835 174.383 174.990 0.380 0.000 1.198 108 C CA -0.666 58.538 59.018 0.310 0.000 1.665 108 C CB 0.838 28.751 27.740 0.287 0.000 2.258 108 C HN 0.787 nan 8.230 nan 0.000 0.493 109 F N -0.344 119.601 119.950 -0.010 0.000 2.669 109 F HA 0.439 4.965 4.527 -0.001 0.000 0.315 109 F C -0.807 174.851 175.800 -0.236 0.000 1.109 109 F CA -0.978 56.933 58.000 -0.148 0.000 1.028 109 F CB 0.518 39.443 39.000 -0.125 0.000 1.287 109 F HN 0.622 nan 8.300 nan 0.000 0.452 110 E N 3.173 123.266 120.200 -0.179 0.000 2.465 110 E HA 0.036 4.385 4.350 -0.001 0.000 0.260 110 E C -0.894 175.621 176.600 -0.142 0.000 0.980 110 E CA -0.306 55.974 56.400 -0.200 0.000 0.927 110 E CB 0.558 30.172 29.700 -0.144 0.000 0.934 110 E HN 0.704 nan 8.360 nan 0.000 0.459 111 Y N 3.867 124.007 120.300 -0.267 0.000 2.457 111 Y HA 0.151 4.700 4.550 -0.001 0.000 0.341 111 Y C -0.341 175.476 175.900 -0.139 0.000 1.240 111 Y CA 0.461 58.455 58.100 -0.176 0.000 1.437 111 Y CB 0.909 39.255 38.460 -0.191 0.000 1.328 111 Y HN 0.656 nan 8.280 nan 0.000 0.588 112 D N 1.031 120.808 120.400 -1.039 0.000 2.661 112 D HA 0.231 4.870 4.640 -0.001 0.000 0.228 112 D C -0.069 175.765 176.300 -0.777 0.000 1.210 112 D CA -0.029 53.526 54.000 -0.741 0.000 0.826 112 D CB 1.743 42.194 40.800 -0.581 0.000 1.542 112 D HN 0.588 nan 8.370 nan 0.000 0.447 113 T N -1.489 112.934 114.554 -0.218 0.000 3.037 113 T HA 0.146 4.496 4.350 -0.001 0.000 0.252 113 T C 0.279 175.040 174.700 0.102 0.000 1.073 113 T CA -0.177 61.973 62.100 0.085 0.000 1.091 113 T CB -0.169 68.913 68.868 0.356 0.000 0.935 113 T HN 0.244 nan 8.240 nan 0.000 0.488 114 D N 3.627 124.058 120.400 0.051 0.000 2.583 114 D HA 0.097 4.736 4.640 -0.001 0.000 0.232 114 D C -1.514 174.646 176.300 -0.235 0.000 1.128 114 D CA -1.593 52.319 54.000 -0.146 0.000 0.859 114 D CB 0.972 41.810 40.800 0.064 0.000 1.169 114 D HN 0.105 nan 8.370 nan 0.000 0.481 115 P HA -0.232 nan 4.420 nan 0.000 0.218 115 P C 1.309 178.492 177.300 -0.195 0.000 1.154 115 P CA 1.156 64.043 63.100 -0.354 0.000 0.872 115 P CB -0.039 31.369 31.700 -0.488 0.000 0.790 116 Y N -1.362 118.720 120.300 -0.363 0.000 2.256 116 Y HA -0.240 4.309 4.550 -0.001 0.000 0.288 116 Y C 1.821 177.463 175.900 -0.430 0.000 1.155 116 Y CA 1.612 59.483 58.100 -0.382 0.000 1.203 116 Y CB -0.874 37.280 38.460 -0.510 0.000 0.980 116 Y HN 0.011 nan 8.280 nan 0.000 0.530 117 Y N -0.424 119.761 120.300 -0.191 0.000 2.510 117 Y HA -0.026 4.524 4.550 -0.001 0.000 0.273 117 Y C 2.338 178.126 175.900 -0.187 0.000 1.119 117 Y CA 0.695 58.637 58.100 -0.263 0.000 1.286 117 Y CB -0.049 38.281 38.460 -0.216 0.000 1.061 117 Y HN 0.154 nan 8.280 nan 0.000 0.542 118 Q N -0.272 119.515 119.800 -0.021 0.000 2.137 118 Q HA -0.090 4.249 4.340 -0.001 0.000 0.198 118 Q C 2.486 178.483 176.000 -0.004 0.000 0.960 118 Q CA 1.066 56.886 55.803 0.029 0.000 0.847 118 Q CB -0.135 28.636 28.738 0.056 0.000 0.915 118 Q HN 0.500 nan 8.270 nan 0.000 0.448 119 A N 0.882 123.651 122.820 -0.084 0.000 1.873 119 A HA -0.153 4.167 4.320 -0.001 0.000 0.215 119 A C 2.016 179.532 177.584 -0.112 0.000 1.186 119 A CA 0.953 52.934 52.037 -0.093 0.000 0.616 119 A CB -0.528 18.395 19.000 -0.129 0.000 0.823 119 A HN 0.287 nan 8.150 nan 0.000 0.442 120 L N 0.042 121.135 121.223 -0.216 0.000 2.056 120 L HA -0.122 4.217 4.340 -0.001 0.000 0.207 120 L C 1.397 178.258 176.870 -0.016 0.000 1.078 120 L CA 2.172 56.900 54.840 -0.187 0.000 0.749 120 L CB -0.578 41.261 42.059 -0.366 0.000 0.901 120 L HN 0.315 nan 8.230 nan 0.000 0.433 121 D N -1.563 118.862 120.400 0.041 0.000 2.269 121 D HA -0.123 4.516 4.640 -0.001 0.000 0.208 121 D C 2.306 178.714 176.300 0.180 0.000 0.963 121 D CA 1.083 55.184 54.000 0.167 0.000 0.864 121 D CB -0.036 40.920 40.800 0.260 0.000 0.936 121 D HN 0.279 nan 8.370 nan 0.000 0.505 122 V N 0.786 120.768 119.914 0.113 0.000 2.379 122 V HA -0.182 3.937 4.120 -0.001 0.000 0.245 122 V C 1.948 178.098 176.094 0.095 0.000 1.044 122 V CA 1.538 63.904 62.300 0.111 0.000 1.036 122 V CB -0.072 31.797 31.823 0.077 0.000 0.664 122 V HN 0.053 nan 8.190 nan 0.000 0.453 123 K N -0.462 119.971 120.400 0.055 0.000 2.097 123 K HA -0.107 4.212 4.320 -0.001 0.000 0.206 123 K C 2.005 178.649 176.600 0.073 0.000 1.049 123 K CA 1.604 57.917 56.287 0.043 0.000 0.933 123 K CB -0.312 32.181 32.500 -0.012 0.000 0.717 123 K HN 0.445 nan 8.250 nan 0.000 0.442 124 V N 1.713 121.672 119.914 0.075 0.000 2.379 124 V HA -0.202 3.917 4.120 -0.001 0.000 0.245 124 V C 1.962 178.176 176.094 0.201 0.000 1.044 124 V CA 1.613 63.968 62.300 0.091 0.000 1.036 124 V CB -0.298 31.552 31.823 0.045 0.000 0.664 124 V HN 0.262 nan 8.190 nan 0.000 0.453 125 K N -0.144 120.399 120.400 0.238 0.000 2.147 125 K HA -0.175 4.144 4.320 -0.001 0.000 0.205 125 K C 1.815 178.524 176.600 0.181 0.000 1.049 125 K CA 1.581 58.017 56.287 0.249 0.000 0.936 125 K CB -0.224 32.426 32.500 0.250 0.000 0.722 125 K HN 0.435 nan 8.250 nan 0.000 0.446 126 D N -0.131 120.362 120.400 0.155 0.000 2.117 126 D HA -0.162 4.478 4.640 -0.001 0.000 0.198 126 D C 1.631 178.001 176.300 0.117 0.000 0.982 126 D CA 0.998 55.068 54.000 0.116 0.000 0.828 126 D CB -0.199 40.658 40.800 0.097 0.000 0.967 126 D HN 0.181 nan 8.370 nan 0.000 0.464 127 Y N 1.218 121.537 120.300 0.031 0.000 2.314 127 Y HA -0.012 4.537 4.550 -0.001 0.000 0.293 127 Y C 2.115 178.032 175.900 0.027 0.000 1.129 127 Y CA 1.179 59.286 58.100 0.012 0.000 1.201 127 Y CB -0.151 38.298 38.460 -0.019 0.000 0.999 127 Y HN -0.064 nan 8.280 nan 0.000 0.541 128 A N -0.246 122.720 122.820 0.244 0.000 1.855 128 A HA -0.175 4.144 4.320 -0.001 0.000 0.215 128 A C 2.463 180.094 177.584 0.078 0.000 1.191 128 A CA 2.168 54.319 52.037 0.191 0.000 0.613 128 A CB -1.370 17.772 19.000 0.237 0.000 0.829 128 A HN 0.542 nan 8.150 nan 0.000 0.442 129 S N -0.503 115.243 115.700 0.077 0.000 2.383 129 S HA -0.151 4.318 4.470 -0.001 0.000 0.227 129 S C 2.129 176.721 174.600 -0.014 0.000 1.026 129 S CA 1.662 59.889 58.200 0.044 0.000 0.981 129 S CB -0.832 62.403 63.200 0.058 0.000 0.818 129 S HN 0.619 nan 8.310 nan 0.000 0.472 130 S N 2.049 117.715 115.700 -0.056 0.000 2.419 130 S HA -0.104 4.365 4.470 -0.001 0.000 0.233 130 S C 1.718 176.208 174.600 -0.182 0.000 1.016 130 S CA 1.688 59.817 58.200 -0.119 0.000 0.974 130 S CB -0.941 62.166 63.200 -0.156 0.000 0.786 130 S HN 0.873 nan 8.310 nan 0.000 0.492 131 T N -2.826 111.591 114.554 -0.228 0.000 3.176 131 T HA 0.514 4.863 4.350 -0.001 0.000 0.263 131 T C 1.136 175.790 174.700 -0.077 0.000 1.021 131 T CA 0.476 62.448 62.100 -0.214 0.000 0.905 131 T CB 0.052 68.706 68.868 -0.357 0.000 1.057 131 T HN 0.867 nan 8.240 nan 0.000 0.558 132 G N 0.774 109.550 108.800 -0.039 0.000 2.176 132 G HA2 -0.191 3.768 3.960 -0.001 0.000 0.252 132 G HA3 -0.191 3.768 3.960 -0.001 0.000 0.252 132 G C -0.117 174.804 174.900 0.035 0.000 1.024 132 G CA -0.008 45.094 45.100 0.003 0.000 0.755 132 G HN 0.719 nan 8.290 nan 0.000 0.507 133 V N 0.347 120.294 119.914 0.056 0.000 2.435 133 V HA 0.457 4.576 4.120 -0.001 0.000 0.290 133 V C 0.709 176.875 176.094 0.120 0.000 1.030 133 V CA -0.865 61.492 62.300 0.096 0.000 0.881 133 V CB 1.885 33.787 31.823 0.131 0.000 0.983 133 V HN 0.456 nan 8.190 nan 0.000 0.445 134 E N 3.102 123.376 120.200 0.123 0.000 2.373 134 E HA 0.366 4.716 4.350 -0.001 0.000 0.267 134 E C -1.363 175.363 176.600 0.210 0.000 1.032 134 E CA -0.203 56.288 56.400 0.151 0.000 0.889 134 E CB 1.381 31.168 29.700 0.144 0.000 0.984 134 E HN 0.463 nan 8.360 nan 0.000 0.425 135 V N 6.206 126.255 119.914 0.225 0.000 2.483 135 V HA 0.313 4.433 4.120 -0.001 0.000 0.297 135 V C -0.857 175.390 176.094 0.256 0.000 1.027 135 V CA -0.607 61.844 62.300 0.253 0.000 0.855 135 V CB 1.116 33.089 31.823 0.248 0.000 0.995 135 V HN 0.580 nan 8.190 nan 0.000 0.424 136 F N 4.189 124.170 119.950 0.051 0.000 2.427 136 F HA 0.657 5.183 4.527 -0.001 0.000 0.348 136 F C 0.151 175.809 175.800 -0.236 0.000 1.125 136 F CA -0.093 57.898 58.000 -0.016 0.000 0.989 136 F CB 1.584 40.700 39.000 0.195 0.000 1.165 136 F HN 0.440 nan 8.300 nan 0.000 0.442 137 S N 8.457 123.750 115.700 -0.679 0.000 2.389 137 S HA 0.384 4.854 4.470 -0.001 0.000 0.201 137 S C -2.685 171.524 174.600 -0.651 0.000 1.422 137 S CA -1.282 56.414 58.200 -0.841 0.000 1.216 137 S CB 0.535 63.250 63.200 -0.809 0.000 1.130 137 S HN 0.528 nan 8.310 nan 0.000 0.465 138 P HA 0.234 nan 4.420 nan 0.000 0.276 138 P C -0.581 176.568 177.300 -0.252 0.000 1.244 138 P CA -0.434 62.358 63.100 -0.513 0.000 0.801 138 P CB 0.942 32.302 31.700 -0.566 0.000 1.006 139 V N 2.595 122.403 119.914 -0.178 0.000 2.322 139 V HA 0.108 4.228 4.120 -0.001 0.000 0.258 139 V C 1.154 177.214 176.094 -0.056 0.000 1.074 139 V CA 0.502 62.753 62.300 -0.081 0.000 0.909 139 V CB -0.254 31.489 31.823 -0.133 0.000 1.090 139 V HN 0.776 nan 8.190 nan 0.000 0.486 140 S N 1.330 117.019 115.700 -0.017 0.000 2.941 140 S HA 0.169 4.638 4.470 -0.001 0.000 0.251 140 S C 0.610 175.230 174.600 0.034 0.000 1.029 140 S CA -0.281 57.910 58.200 -0.016 0.000 1.062 140 S CB -0.173 63.013 63.200 -0.023 0.000 0.977 140 S HN 0.780 nan 8.310 nan 0.000 0.552 141 H N 2.083 121.117 119.070 -0.059 0.000 2.885 141 H HA 0.335 4.890 4.556 -0.001 0.000 0.260 141 H C 0.581 175.828 175.328 -0.135 0.000 0.985 141 H CA 1.363 57.368 56.048 -0.073 0.000 1.210 141 H CB 0.864 30.580 29.762 -0.077 0.000 1.466 141 H HN 0.549 nan 8.280 nan 0.000 0.493 142 T N -2.613 111.848 114.554 -0.155 0.000 2.883 142 T HA 0.281 4.631 4.350 -0.001 0.000 0.296 142 T C 0.814 175.399 174.700 -0.192 0.000 1.117 142 T CA -0.803 61.167 62.100 -0.216 0.000 1.006 142 T CB 1.184 69.959 68.868 -0.156 0.000 1.191 142 T HN 0.106 nan 8.240 nan 0.000 0.508 143 L N -0.489 120.575 121.223 -0.264 0.000 2.492 143 L HA 0.378 4.718 4.340 -0.001 0.000 0.223 143 L C -0.437 175.889 176.870 -0.906 0.000 1.132 143 L CA 0.461 54.916 54.840 -0.643 0.000 0.850 143 L CB -0.285 41.220 42.059 -0.923 0.000 0.966 143 L HN 0.481 nan 8.230 nan 0.000 0.454 144 F N -1.586 118.329 119.950 -0.058 0.000 2.588 144 F HA 0.302 4.828 4.527 -0.001 0.000 0.310 144 F C 0.003 175.788 175.800 -0.025 0.000 1.082 144 F CA -1.338 56.640 58.000 -0.036 0.000 0.929 144 F CB 1.022 40.037 39.000 0.025 0.000 1.254 144 F HN -0.295 nan 8.300 nan 0.000 0.455 145 N N 3.085 121.855 118.700 0.116 0.000 2.415 145 N HA 0.334 5.073 4.740 -0.001 0.000 0.246 145 N C -2.033 173.485 175.510 0.014 0.000 1.078 145 N CA -1.997 51.045 53.050 -0.013 0.000 0.942 145 N CB 1.108 39.528 38.487 -0.112 0.000 1.140 145 N HN 0.155 nan 8.380 nan 0.000 0.501 146 P HA -0.190 nan 4.420 nan 0.000 0.218 146 P C -0.376 176.956 177.300 0.054 0.000 1.150 146 P CA 1.251 64.381 63.100 0.051 0.000 0.841 146 P CB 0.185 31.854 31.700 -0.052 0.000 0.784 150 I N 1.765 122.386 120.570 0.084 0.000 2.756 150 I HA -0.206 3.964 4.170 -0.001 0.000 0.262 150 I C 2.282 178.445 176.117 0.076 0.000 1.225 150 I CA 1.546 62.912 61.300 0.110 0.000 1.472 150 I CB 0.013 38.123 38.000 0.182 0.000 1.094 150 I HN 0.388 nan 8.210 nan 0.000 0.454 151 E N 1.479 121.713 120.200 0.056 0.000 2.057 151 E HA -0.186 4.163 4.350 -0.001 0.000 0.190 151 E C 2.182 178.792 176.600 0.017 0.000 0.969 151 E CA 0.482 56.906 56.400 0.040 0.000 0.812 151 E CB 0.102 29.823 29.700 0.035 0.000 0.777 151 E HN 0.199 nan 8.360 nan 0.000 0.455 152 K N 0.442 120.840 120.400 -0.003 0.000 2.360 152 K HA -0.163 4.156 4.320 -0.001 0.000 0.201 152 K C 1.110 177.698 176.600 -0.021 0.000 1.046 152 K CA 1.253 57.527 56.287 -0.022 0.000 0.940 152 K CB -0.044 32.426 32.500 -0.050 0.000 0.748 152 K HN -0.013 nan 8.250 nan 0.000 0.465 153 N N -0.562 118.134 118.700 -0.007 0.000 2.251 153 N HA 0.093 4.832 4.740 -0.001 0.000 0.217 153 N C 0.148 175.672 175.510 0.024 0.000 1.124 153 N CA 0.584 53.636 53.050 0.004 0.000 0.843 153 N CB 0.987 39.483 38.487 0.015 0.000 1.024 153 N HN 0.351 nan 8.380 nan 0.000 0.501 154 G N -0.448 108.366 108.800 0.023 0.000 3.076 154 G HA2 -0.237 3.722 3.960 -0.001 0.000 0.256 154 G HA3 -0.237 3.722 3.960 -0.001 0.000 0.256 154 G C 0.702 175.626 174.900 0.040 0.000 1.589 154 G CA -0.039 45.078 45.100 0.029 0.000 1.044 154 G HN 0.448 nan 8.290 nan 0.000 0.563 155 G N 0.030 108.858 108.800 0.047 0.000 2.728 155 G HA2 0.504 4.463 3.960 -0.001 0.000 0.203 155 G HA3 0.504 4.463 3.960 -0.001 0.000 0.203 155 G C 0.642 175.583 174.900 0.069 0.000 1.073 155 G CA 1.174 46.307 45.100 0.054 0.000 0.778 155 G HN 0.639 nan 8.290 nan 0.000 0.553 156 K N 0.376 120.819 120.400 0.072 0.000 2.280 156 K HA 0.457 4.777 4.320 -0.001 0.000 0.234 156 K C -2.737 173.928 176.600 0.108 0.000 1.028 156 K CA -1.935 54.406 56.287 0.089 0.000 0.882 156 K CB 2.286 34.836 32.500 0.084 0.000 1.194 156 K HN -0.067 nan 8.250 nan 0.000 0.458 157 P HA 0.259 nan 4.420 nan 0.000 0.284 157 P C -2.708 174.702 177.300 0.183 0.000 1.258 157 P CA -1.904 61.292 63.100 0.161 0.000 0.824 157 P CB 0.220 32.020 31.700 0.167 0.000 1.038 158 P HA 0.035 nan 4.420 nan 0.000 0.262 158 P C 0.702 178.212 177.300 0.350 0.000 1.182 158 P CA 0.275 63.526 63.100 0.251 0.000 0.761 158 P CB 0.134 32.002 31.700 0.280 0.000 0.795 159 L N 1.704 123.105 121.223 0.297 0.000 2.551 159 L HA 0.020 4.359 4.340 -0.001 0.000 0.228 159 L C 1.057 178.210 176.870 0.472 0.000 1.153 159 L CA 1.244 56.295 54.840 0.352 0.000 0.851 159 L CB -0.718 41.480 42.059 0.233 0.000 0.959 159 L HN 0.434 nan 8.230 nan 0.000 0.451 160 S N -4.458 111.500 115.700 0.429 0.000 2.596 160 S HA 0.265 4.734 4.470 -0.001 0.000 0.270 160 S C 0.443 175.050 174.600 0.012 0.000 1.155 160 S CA -0.751 57.603 58.200 0.257 0.000 0.827 160 S CB 0.488 63.802 63.200 0.189 0.000 1.130 160 S HN 0.026 nan 8.310 nan 0.000 0.467 161 Y N 1.685 121.623 120.300 -0.603 0.000 2.053 161 Y HA -0.234 4.315 4.550 -0.001 0.000 0.277 161 Y C 2.515 178.266 175.900 -0.249 0.000 1.159 161 Y CA 2.714 60.351 58.100 -0.771 0.000 1.125 161 Y CB -0.624 37.260 38.460 -0.961 0.000 0.969 161 Y HN 0.799 nan 8.280 nan 0.000 0.492 162 Q N -0.429 119.371 119.800 0.001 0.000 2.061 162 Q HA -0.207 4.133 4.340 -0.001 0.000 0.204 162 Q C 2.681 178.663 176.000 -0.030 0.000 0.984 162 Q CA 2.030 57.828 55.803 -0.008 0.000 0.846 162 Q CB -0.872 27.904 28.738 0.064 0.000 0.902 162 Q HN 0.436 nan 8.270 nan 0.000 0.421 163 S N -0.645 115.075 115.700 0.034 0.000 2.359 163 S HA -0.179 4.290 4.470 -0.001 0.000 0.224 163 S C 1.672 176.284 174.600 0.020 0.000 1.035 163 S CA 1.188 59.416 58.200 0.047 0.000 1.018 163 S CB -0.422 62.847 63.200 0.115 0.000 0.876 163 S HN 0.456 nan 8.310 nan 0.000 0.448 164 F N 1.569 121.475 119.950 -0.073 0.000 2.075 164 F HA -0.013 4.513 4.527 -0.001 0.000 0.297 164 F C 1.810 177.442 175.800 -0.279 0.000 1.113 164 F CA 1.325 59.256 58.000 -0.115 0.000 1.218 164 F CB -0.614 38.397 39.000 0.018 0.000 0.984 164 F HN 0.221 nan 8.300 nan 0.000 0.472 165 L N 0.694 121.797 121.223 -0.200 0.000 2.187 165 L HA -0.206 4.133 4.340 -0.001 0.000 0.213 165 L C 2.273 178.960 176.870 -0.305 0.000 1.100 165 L CA 1.749 56.390 54.840 -0.332 0.000 0.765 165 L CB -0.997 40.844 42.059 -0.362 0.000 0.904 165 L HN 0.157 nan 8.230 nan 0.000 0.437 166 K N -0.929 119.331 120.400 -0.233 0.000 2.021 166 K HA -0.033 4.286 4.320 -0.001 0.000 0.205 166 K C 1.898 178.372 176.600 -0.211 0.000 1.047 166 K CA 1.485 57.672 56.287 -0.167 0.000 0.943 166 K CB -0.439 32.003 32.500 -0.098 0.000 0.725 166 K HN 0.097 nan 8.250 nan 0.000 0.439 167 V N 1.103 120.858 119.914 -0.265 0.000 2.594 167 V HA -0.168 3.952 4.120 -0.001 0.000 0.253 167 V C 2.294 178.169 176.094 -0.365 0.000 1.069 167 V CA 1.886 64.025 62.300 -0.269 0.000 1.082 167 V CB -0.836 30.832 31.823 -0.258 0.000 0.680 167 V HN 0.456 nan 8.190 nan 0.000 0.469 168 A N -0.947 121.511 122.820 -0.603 0.000 1.911 168 A HA 0.443 4.762 4.320 -0.001 0.000 0.212 168 A C 1.829 179.241 177.584 -0.287 0.000 1.189 168 A CA 1.405 53.038 52.037 -0.674 0.000 0.639 168 A CB -0.679 17.400 19.000 -1.534 0.000 0.839 168 A HN 0.988 nan 8.150 nan 0.000 0.449 169 G N -0.531 108.128 108.800 -0.235 0.000 2.564 169 G HA2 -0.253 3.706 3.960 -0.001 0.000 0.273 169 G HA3 -0.253 3.706 3.960 -0.001 0.000 0.273 169 G C -0.120 174.836 174.900 0.094 0.000 1.242 169 G CA 0.317 45.384 45.100 -0.055 0.000 0.951 169 G HN 0.697 nan 8.290 nan 0.000 0.564 170 E N 2.746 123.009 120.200 0.105 0.000 2.290 170 E HA 0.487 4.836 4.350 -0.001 0.000 0.277 170 E C -1.492 175.167 176.600 0.099 0.000 1.035 170 E CA -1.208 55.270 56.400 0.130 0.000 0.873 170 E CB 0.707 30.459 29.700 0.088 0.000 1.029 170 E HN 0.458 nan 8.360 nan 0.000 0.419 171 P HA 0.014 nan 4.420 nan 0.000 0.271 171 P C -0.495 176.622 177.300 -0.305 0.000 1.220 171 P CA -0.258 62.561 63.100 -0.469 0.000 0.768 171 P CB 0.851 31.866 31.700 -1.143 0.000 0.848 172 S N 1.280 116.835 115.700 -0.243 0.000 3.612 172 S HA 0.028 4.497 4.470 -0.001 0.000 0.214 172 S C 0.990 175.498 174.600 -0.152 0.000 1.178 172 S CA 0.052 58.164 58.200 -0.146 0.000 1.121 172 S CB -1.935 61.200 63.200 -0.108 0.000 1.344 172 S HN 0.686 nan 8.310 nan 0.000 0.447 173 C N -2.873 116.332 119.300 -0.159 0.000 4.183 173 C HA 0.727 5.186 4.460 -0.001 0.000 0.332 173 C C 2.113 177.088 174.990 -0.024 0.000 2.007 173 C CA -0.087 58.869 59.018 -0.104 0.000 1.657 173 C CB -0.615 27.029 27.740 -0.160 0.000 3.022 173 C HN 0.600 nan 8.230 nan 0.000 0.579 174 A N 2.624 125.439 122.820 -0.008 0.000 1.877 174 A HA -0.010 4.309 4.320 -0.001 0.000 0.216 174 A C 2.197 179.819 177.584 0.062 0.000 1.186 174 A CA 1.800 53.895 52.037 0.097 0.000 0.620 174 A CB -0.335 18.739 19.000 0.123 0.000 0.822 174 A HN 0.539 nan 8.150 nan 0.000 0.443 175 K N 0.408 120.827 120.400 0.031 0.000 2.005 175 K HA 0.032 4.351 4.320 -0.001 0.000 0.206 175 K C 1.334 177.946 176.600 0.021 0.000 1.044 175 K CA 0.739 57.040 56.287 0.024 0.000 0.942 175 K CB -1.236 31.271 32.500 0.013 0.000 0.727 175 K HN 0.399 nan 8.250 nan 0.000 0.439 176 S N 1.605 117.311 115.700 0.010 0.000 2.574 176 S HA -0.179 4.290 4.470 -0.001 0.000 0.302 176 S C -0.066 174.550 174.600 0.026 0.000 1.270 176 S CA 0.201 58.407 58.200 0.010 0.000 1.040 176 S CB 0.213 63.412 63.200 -0.002 0.000 0.767 176 S HN 0.185 nan 8.310 nan 0.000 0.494 177 E N 3.444 123.657 120.200 0.022 0.000 2.256 177 E HA 0.404 4.753 4.350 -0.001 0.000 0.243 177 E C -0.343 176.274 176.600 0.028 0.000 0.925 177 E CA -0.274 56.144 56.400 0.029 0.000 0.748 177 E CB 0.360 30.069 29.700 0.016 0.000 1.206 177 E HN 0.619 nan 8.360 nan 0.000 0.428 178 L N 1.874 123.128 121.223 0.051 0.000 2.499 178 L HA 0.118 4.457 4.340 -0.001 0.000 0.281 178 L C 0.088 176.966 176.870 0.015 0.000 1.234 178 L CA -0.410 54.460 54.840 0.051 0.000 0.839 178 L CB 0.259 42.379 42.059 0.101 0.000 1.104 178 L HN 0.182 nan 8.230 nan 0.000 0.500 179 V N 3.811 123.725 119.914 0.000 0.000 2.320 179 V HA 0.078 4.197 4.120 -0.001 0.000 0.265 179 V C 1.038 177.102 176.094 -0.051 0.000 1.048 179 V CA -0.193 62.066 62.300 -0.069 0.000 0.865 179 V CB 1.030 32.785 31.823 -0.113 0.000 1.043 179 V HN 0.719 nan 8.190 nan 0.000 0.474 180 M N 2.405 121.962 119.600 -0.072 0.000 2.514 180 M HA 0.136 4.615 4.480 -0.001 0.000 0.258 180 M C 0.806 177.097 176.300 -0.016 0.000 1.119 180 M CA 0.518 55.787 55.300 -0.052 0.000 1.111 180 M CB -0.228 32.283 32.600 -0.148 0.000 1.390 180 M HN 0.784 nan 8.290 nan 0.000 0.475 181 S N -1.309 114.332 115.700 -0.099 0.000 2.656 181 S HA 0.684 5.153 4.470 -0.001 0.000 0.273 181 S C -1.512 172.959 174.600 -0.214 0.000 1.168 181 S CA -0.852 57.337 58.200 -0.018 0.000 0.817 181 S CB 1.897 65.093 63.200 -0.005 0.000 1.146 181 S HN 0.151 nan 8.310 nan 0.000 0.475 182 Y N 0.737 121.048 120.300 0.019 0.000 2.457 182 Y HA 0.504 5.054 4.550 -0.001 0.000 0.343 182 Y C 1.526 177.433 175.900 0.012 0.000 0.994 182 Y CA -0.400 57.712 58.100 0.021 0.000 1.031 182 Y CB 2.430 40.908 38.460 0.031 0.000 1.246 182 Y HN 0.907 nan 8.280 nan 0.000 0.449 183 S N 0.577 116.353 115.700 0.125 0.000 2.383 183 S HA 0.041 4.511 4.470 -0.001 0.000 0.227 183 S C 0.490 175.145 174.600 0.091 0.000 1.026 183 S CA 1.059 59.306 58.200 0.078 0.000 0.981 183 S CB -0.201 63.026 63.200 0.047 0.000 0.818 183 S HN 0.714 nan 8.310 nan 0.000 0.472 184 S N -0.688 115.087 115.700 0.126 0.000 2.636 184 S HA 0.743 5.212 4.470 -0.001 0.000 0.268 184 S C -1.734 172.918 174.600 0.087 0.000 1.159 184 S CA -1.007 57.243 58.200 0.084 0.000 0.815 184 S CB 1.186 64.416 63.200 0.049 0.000 1.130 184 S HN 0.253 nan 8.310 nan 0.000 0.471 185 L N 0.931 122.168 121.223 0.024 0.000 2.409 185 L HA 0.729 5.069 4.340 -0.001 0.000 0.262 185 L C -2.787 174.070 176.870 -0.021 0.000 0.992 185 L CA -1.767 53.063 54.840 -0.017 0.000 0.817 185 L CB 1.635 43.647 42.059 -0.080 0.000 1.350 185 L HN 0.597 nan 8.230 nan 0.000 0.411 186 P HA 0.148 nan 4.420 nan 0.000 0.264 186 P C -2.429 174.840 177.300 -0.050 0.000 1.193 186 P CA -0.528 62.554 63.100 -0.030 0.000 0.763 186 P CB -0.121 31.555 31.700 -0.040 0.000 0.810 187 P HA 0.111 nan 4.420 nan 0.000 0.282 187 P C -0.299 176.908 177.300 -0.155 0.000 1.286 187 P CA -0.045 63.005 63.100 -0.083 0.000 0.777 187 P CB 0.592 32.255 31.700 -0.061 0.000 1.184 188 I N -0.866 119.558 120.570 -0.243 0.000 2.577 188 I HA 0.414 4.583 4.170 -0.001 0.000 0.300 188 I C 1.399 177.203 176.117 -0.522 0.000 0.990 188 I CA 0.102 61.099 61.300 -0.505 0.000 1.283 188 I CB 0.464 38.197 38.000 -0.445 0.000 1.411 188 I HN 0.436 nan 8.210 nan 0.000 0.515 189 G N 2.134 110.374 108.800 -0.933 0.000 2.531 189 G HA2 0.213 4.173 3.960 -0.001 0.000 0.281 189 G HA3 0.213 4.173 3.960 -0.001 0.000 0.281 189 G C -0.652 174.028 174.900 -0.367 0.000 1.382 189 G CA -0.562 44.131 45.100 -0.679 0.000 1.045 189 G HN 0.544 nan 8.290 nan 0.000 0.533 190 D N -0.074 120.182 120.400 -0.240 0.000 2.425 190 D HA 0.048 4.688 4.640 -0.001 0.000 0.247 190 D C 1.511 177.859 176.300 0.080 0.000 1.147 190 D CA 0.103 54.066 54.000 -0.062 0.000 0.879 190 D CB 1.786 42.565 40.800 -0.035 0.000 1.179 190 D HN 0.196 nan 8.370 nan 0.000 0.456 191 I N 1.661 122.321 120.570 0.149 0.000 2.439 191 I HA -0.091 4.078 4.170 -0.001 0.000 0.251 191 I C 1.824 178.237 176.117 0.493 0.000 1.139 191 I CA 0.789 62.310 61.300 0.369 0.000 1.438 191 I CB -0.362 37.813 38.000 0.292 0.000 1.085 191 I HN 0.640 nan 8.210 nan 0.000 0.427 192 G N 1.666 110.626 108.800 0.266 0.000 2.550 192 G HA2 -0.436 3.523 3.960 -0.001 0.000 0.277 192 G HA3 -0.436 3.523 3.960 -0.001 0.000 0.277 192 G C 0.440 175.411 174.900 0.118 0.000 1.190 192 G CA 0.602 45.814 45.100 0.188 0.000 0.971 192 G HN 0.386 nan 8.290 nan 0.000 0.559 193 N N -0.070 118.661 118.700 0.052 0.000 2.434 193 N HA 0.246 4.985 4.740 -0.001 0.000 0.196 193 N C 0.419 175.899 175.510 -0.051 0.000 1.183 193 N CA 0.168 53.213 53.050 -0.008 0.000 0.849 193 N CB -0.198 38.263 38.487 -0.042 0.000 0.992 193 N HN 0.415 nan 8.380 nan 0.000 0.460 194 L N -0.328 120.882 121.223 -0.022 0.000 2.379 194 L HA 0.433 4.772 4.340 -0.001 0.000 0.269 194 L C 1.234 178.102 176.870 -0.003 0.000 1.084 194 L CA -0.518 54.250 54.840 -0.121 0.000 0.802 194 L CB 1.026 42.970 42.059 -0.193 0.000 1.175 194 L HN 0.058 nan 8.230 nan 0.000 0.448 195 G N 3.755 112.506 108.800 -0.081 0.000 3.090 195 G HA2 0.050 4.009 3.960 -0.001 0.000 0.259 195 G HA3 0.050 4.009 3.960 -0.001 0.000 0.259 195 G C 0.567 175.642 174.900 0.291 0.000 0.797 195 G CA -0.320 44.820 45.100 0.067 0.000 2.032 195 G HN 0.706 nan 8.290 nan 0.000 0.614 196 I N 1.080 121.851 120.570 0.335 0.000 3.252 196 I HA -0.019 4.150 4.170 -0.001 0.000 0.331 196 I C 0.083 176.368 176.117 0.280 0.000 1.237 196 I CA 0.751 62.278 61.300 0.377 0.000 1.436 196 I CB 0.362 38.500 38.000 0.230 0.000 1.338 196 I HN 0.262 nan 8.210 nan 0.000 0.512 197 S N 6.001 121.852 115.700 0.252 0.000 2.595 197 S HA 0.521 4.991 4.470 -0.001 0.000 0.281 197 S C -0.820 173.813 174.600 0.055 0.000 1.117 197 S CA -0.840 57.452 58.200 0.153 0.000 0.873 197 S CB 1.654 64.990 63.200 0.228 0.000 1.108 197 S HN 0.733 nan 8.310 nan 0.000 0.477 198 E N 0.995 121.228 120.200 0.055 0.000 2.232 198 E HA 0.363 4.712 4.350 -0.001 0.000 0.265 198 E C -0.535 176.083 176.600 0.030 0.000 1.001 198 E CA -0.720 55.694 56.400 0.025 0.000 0.870 198 E CB 1.312 31.026 29.700 0.023 0.000 1.175 198 E HN 0.469 nan 8.360 nan 0.000 0.407 199 V N 4.633 124.550 119.914 0.005 0.000 2.493 199 V HA 0.033 4.152 4.120 -0.001 0.000 0.292 199 V C -1.591 174.518 176.094 0.024 0.000 1.016 199 V CA -0.770 61.534 62.300 0.007 0.000 1.097 199 V CB -0.050 31.746 31.823 -0.045 0.000 0.947 199 V HN 0.507 nan 8.190 nan 0.000 0.479 200 P HA 0.119 nan 4.420 nan 0.000 0.271 200 P C -0.243 177.083 177.300 0.042 0.000 1.233 200 P CA -0.143 62.993 63.100 0.060 0.000 0.789 200 P CB 0.721 32.475 31.700 0.091 0.000 0.951 201 S N 0.274 116.002 115.700 0.046 0.000 2.722 201 S HA 0.297 4.767 4.470 -0.001 0.000 0.292 201 S C 1.499 176.140 174.600 0.068 0.000 1.135 201 S CA -0.905 57.318 58.200 0.037 0.000 1.003 201 S CB 0.601 63.822 63.200 0.034 0.000 1.067 201 S HN 0.357 nan 8.310 nan 0.000 0.546 202 L N 0.546 121.803 121.223 0.056 0.000 2.046 202 L HA -0.088 4.251 4.340 -0.001 0.000 0.208 202 L C 3.022 180.021 176.870 0.215 0.000 1.077 202 L CA 1.691 56.617 54.840 0.143 0.000 0.747 202 L CB -0.534 41.531 42.059 0.011 0.000 0.896 202 L HN 0.881 nan 8.230 nan 0.000 0.432 203 E N 0.711 120.976 120.200 0.109 0.000 2.085 203 E HA -0.273 4.076 4.350 -0.001 0.000 0.194 203 E C 1.909 178.539 176.600 0.048 0.000 0.994 203 E CA 1.536 57.982 56.400 0.077 0.000 0.801 203 E CB 0.062 29.792 29.700 0.050 0.000 0.743 203 E HN 0.512 nan 8.360 nan 0.000 0.453 204 E N -0.324 119.907 120.200 0.052 0.000 2.204 204 E HA -0.139 4.210 4.350 -0.001 0.000 0.195 204 E C 1.531 178.149 176.600 0.030 0.000 0.990 204 E CA 0.323 56.746 56.400 0.039 0.000 0.821 204 E CB 0.129 29.858 29.700 0.048 0.000 0.750 204 E HN 0.135 nan 8.360 nan 0.000 0.477 205 L N -0.620 120.640 121.223 0.060 0.000 2.612 205 L HA 0.147 4.486 4.340 -0.001 0.000 0.230 205 L C 1.339 178.085 176.870 -0.207 0.000 1.140 205 L CA 1.241 56.097 54.840 0.028 0.000 0.896 205 L CB -0.273 41.915 42.059 0.214 0.000 1.065 205 L HN 0.268 nan 8.230 nan 0.000 0.447 206 G N -1.786 106.904 108.800 -0.184 0.000 2.157 206 G HA2 -0.307 3.652 3.960 -0.001 0.000 0.239 206 G HA3 -0.307 3.652 3.960 -0.001 0.000 0.239 206 G C 0.052 174.720 174.900 -0.387 0.000 0.982 206 G CA -0.234 44.692 45.100 -0.291 0.000 0.650 206 G HN 0.320 nan 8.290 nan 0.000 0.527 207 Y N 1.010 121.303 120.300 -0.011 0.000 2.310 207 Y HA 0.579 5.129 4.550 -0.001 0.000 0.326 207 Y C 1.157 177.048 175.900 -0.015 0.000 1.151 207 Y CA -0.504 57.586 58.100 -0.017 0.000 1.195 207 Y CB 0.899 39.341 38.460 -0.029 0.000 1.210 207 Y HN 0.045 nan 8.280 nan 0.000 0.483 208 K N 1.444 121.921 120.400 0.129 0.000 2.138 208 K HA 0.017 4.337 4.320 -0.001 0.000 0.251 208 K C 0.377 177.022 176.600 0.074 0.000 1.015 208 K CA -0.435 55.897 56.287 0.074 0.000 0.917 208 K CB 0.498 33.029 32.500 0.053 0.000 1.021 208 K HN 0.674 nan 8.250 nan 0.000 0.485 209 D N 1.294 121.726 120.400 0.053 0.000 2.178 209 D HA -0.169 4.471 4.640 -0.001 0.000 0.202 209 D C 1.242 177.571 176.300 0.049 0.000 0.974 209 D CA 1.326 55.356 54.000 0.050 0.000 0.841 209 D CB 0.078 40.907 40.800 0.048 0.000 0.953 209 D HN 0.653 nan 8.370 nan 0.000 0.478 210 D N 0.676 121.104 120.400 0.046 0.000 2.323 210 D HA -0.118 4.521 4.640 -0.001 0.000 0.209 210 D C 1.133 177.456 176.300 0.037 0.000 0.973 210 D CA 0.444 54.470 54.000 0.044 0.000 0.874 210 D CB -0.221 40.603 40.800 0.039 0.000 0.930 210 D HN 0.196 nan 8.370 nan 0.000 0.521 211 E N 0.005 120.230 120.200 0.042 0.000 2.511 211 E HA -0.057 4.292 4.350 -0.001 0.000 0.196 211 E C 0.835 177.414 176.600 -0.035 0.000 1.066 211 E CA 0.244 56.664 56.400 0.033 0.000 0.871 211 E CB 0.113 29.876 29.700 0.104 0.000 0.863 211 E HN 0.616 nan 8.360 nan 0.000 0.520 212 Q N -1.673 118.101 119.800 -0.044 0.000 2.063 212 Q HA 0.410 4.749 4.340 -0.001 0.000 0.245 212 Q C 0.909 176.861 176.000 -0.080 0.000 0.828 212 Q CA -0.072 55.643 55.803 -0.148 0.000 1.089 212 Q CB 0.924 29.545 28.738 -0.195 0.000 1.232 212 Q HN 0.045 nan 8.270 nan 0.000 0.445 213 A N 0.603 123.446 122.820 0.039 0.000 1.970 213 A HA 0.020 4.339 4.320 -0.001 0.000 0.216 213 A C 0.438 178.192 177.584 0.284 0.000 1.170 213 A CA 0.914 53.048 52.037 0.163 0.000 0.645 213 A CB 0.057 19.125 19.000 0.113 0.000 0.816 213 A HN 0.346 nan 8.150 nan 0.000 0.447 214 D N -1.865 118.643 120.400 0.181 0.000 2.253 214 D HA 0.464 5.104 4.640 -0.001 0.000 0.249 214 D C -1.046 175.422 176.300 0.279 0.000 1.049 214 D CA 0.185 54.337 54.000 0.254 0.000 0.929 214 D CB 0.629 41.514 40.800 0.141 0.000 1.176 214 D HN 0.352 nan 8.370 nan 0.000 0.437 215 W N 0.040 121.345 121.300 0.008 0.000 2.883 215 W HA 0.281 4.940 4.660 -0.001 0.000 0.335 215 W C 0.304 176.812 176.519 -0.020 0.000 1.083 215 W CA -1.001 56.340 57.345 -0.008 0.000 1.233 215 W CB 0.892 30.331 29.460 -0.034 0.000 1.412 215 W HN 0.099 nan 8.180 nan 0.000 0.490 216 T N 3.042 117.717 114.554 0.202 0.000 2.926 216 T HA 0.160 4.510 4.350 -0.001 0.000 0.307 216 T C -1.073 173.583 174.700 -0.075 0.000 1.059 216 T CA -1.186 60.980 62.100 0.110 0.000 1.122 216 T CB 1.170 70.168 68.868 0.216 0.000 0.972 216 T HN 0.336 nan 8.240 nan 0.000 0.545 217 P HA 0.144 nan 4.420 nan 0.000 0.247 217 P C -0.606 176.191 177.300 -0.838 0.000 1.225 217 P CA 0.198 62.813 63.100 -0.807 0.000 0.768 217 P CB -0.362 30.542 31.700 -1.328 0.000 1.020 218 F N 0.158 120.109 119.950 0.003 0.000 2.403 218 F HA 0.445 4.971 4.527 -0.001 0.000 0.355 218 F C 0.927 176.876 175.800 0.249 0.000 1.119 218 F CA -1.364 56.716 58.000 0.133 0.000 1.007 218 F CB 1.063 40.154 39.000 0.152 0.000 1.194 218 F HN -0.415 nan 8.300 nan 0.000 0.443 219 R N 1.604 122.285 120.500 0.302 0.000 2.491 219 R HA 0.442 4.781 4.340 -0.001 0.000 0.283 219 R C 0.536 176.813 176.300 -0.039 0.000 1.072 219 R CA -0.251 55.926 56.100 0.128 0.000 1.048 219 R CB 0.488 30.831 30.300 0.071 0.000 0.983 219 R HN 0.814 nan 8.270 nan 0.000 0.450 220 G N 0.239 108.672 108.800 -0.612 0.000 2.580 220 G HA2 0.545 4.504 3.960 -0.001 0.000 0.278 220 G HA3 0.545 4.504 3.960 -0.001 0.000 0.278 220 G C -0.357 174.241 174.900 -0.502 0.000 1.212 220 G CA -0.023 44.221 45.100 -1.428 0.000 0.939 220 G HN 0.726 nan 8.290 nan 0.000 0.513 221 G N -1.187 107.413 108.800 -0.334 0.000 2.592 221 G HA2 -0.030 3.929 3.960 -0.001 0.000 0.685 221 G HA3 -0.030 3.929 3.960 -0.001 0.000 0.685 221 G C 0.383 175.327 174.900 0.073 0.000 1.278 221 G CA 0.424 45.461 45.100 -0.105 0.000 0.822 221 G HN 0.840 nan 8.290 nan 0.000 0.652 222 E N 0.215 120.450 120.200 0.057 0.000 2.118 222 E HA -0.125 4.225 4.350 -0.001 0.000 0.195 222 E C 2.353 178.972 176.600 0.033 0.000 0.992 222 E CA 1.995 58.458 56.400 0.106 0.000 0.804 222 E CB -0.119 29.649 29.700 0.115 0.000 0.741 222 E HN 0.459 nan 8.360 nan 0.000 0.458 223 S N 0.758 116.452 115.700 -0.010 0.000 2.348 223 S HA -0.148 4.322 4.470 -0.001 0.000 0.221 223 S C 1.738 176.287 174.600 -0.084 0.000 1.033 223 S CA 1.109 59.283 58.200 -0.044 0.000 1.010 223 S CB -0.265 62.908 63.200 -0.045 0.000 0.891 223 S HN 0.301 nan 8.310 nan 0.000 0.442 224 E N 1.387 121.540 120.200 -0.078 0.000 2.118 224 E HA -0.111 4.239 4.350 -0.001 0.000 0.195 224 E C 2.280 178.636 176.600 -0.407 0.000 0.992 224 E CA 1.064 57.382 56.400 -0.136 0.000 0.804 224 E CB -0.473 29.243 29.700 0.027 0.000 0.741 224 E HN 0.467 nan 8.360 nan 0.000 0.458 225 A N 1.229 123.778 122.820 -0.451 0.000 1.845 225 A HA -0.152 4.168 4.320 -0.001 0.000 0.215 225 A C 2.399 179.772 177.584 -0.352 0.000 1.195 225 A CA 1.278 52.931 52.037 -0.638 0.000 0.616 225 A CB -0.855 18.061 19.000 -0.140 0.000 0.832 225 A HN 0.203 nan 8.150 nan 0.000 0.443 226 L N -0.720 120.391 121.223 -0.187 0.000 2.131 226 L HA -0.169 4.171 4.340 -0.001 0.000 0.210 226 L C 2.630 179.411 176.870 -0.149 0.000 1.092 226 L CA 1.692 56.443 54.840 -0.149 0.000 0.759 226 L CB -0.399 41.572 42.059 -0.145 0.000 0.903 226 L HN 0.443 nan 8.230 nan 0.000 0.435 227 K N 0.515 120.820 120.400 -0.159 0.000 2.155 227 K HA -0.188 4.131 4.320 -0.001 0.000 0.203 227 K C 2.313 178.823 176.600 -0.151 0.000 1.052 227 K CA 1.049 57.258 56.287 -0.131 0.000 0.948 227 K CB 0.113 32.546 32.500 -0.111 0.000 0.728 227 K HN 0.178 nan 8.250 nan 0.000 0.448 228 R N 0.496 120.863 120.500 -0.221 0.000 2.127 228 R HA -0.062 4.277 4.340 -0.001 0.000 0.217 228 R C 2.251 178.425 176.300 -0.210 0.000 1.074 228 R CA 0.582 56.554 56.100 -0.213 0.000 0.991 228 R CB -0.165 29.964 30.300 -0.285 0.000 0.895 228 R HN 0.127 nan 8.270 nan 0.000 0.450 229 L N 1.026 122.095 121.223 -0.258 0.000 2.131 229 L HA -0.085 4.255 4.340 -0.001 0.000 0.210 229 L C 1.652 178.413 176.870 -0.182 0.000 1.092 229 L CA 1.930 56.595 54.840 -0.292 0.000 0.759 229 L CB -0.522 41.327 42.059 -0.350 0.000 0.903 229 L HN 0.143 nan 8.230 nan 0.000 0.435 230 T N -0.459 114.016 114.554 -0.132 0.000 2.701 230 T HA -0.162 4.187 4.350 -0.001 0.000 0.263 230 T C 1.851 176.507 174.700 -0.074 0.000 1.040 230 T CA 1.697 63.747 62.100 -0.084 0.000 1.147 230 T CB -0.118 68.709 68.868 -0.068 0.000 0.865 230 T HN 0.340 nan 8.240 nan 0.000 0.426 231 K N 1.050 121.397 120.400 -0.089 0.000 2.147 231 K HA 0.023 4.342 4.320 -0.001 0.000 0.205 231 K C 2.619 179.158 176.600 -0.103 0.000 1.049 231 K CA 1.069 57.304 56.287 -0.088 0.000 0.936 231 K CB -0.099 32.345 32.500 -0.092 0.000 0.722 231 K HN 0.122 nan 8.250 nan 0.000 0.446 232 S N 1.152 116.792 115.700 -0.101 0.000 2.428 232 S HA -0.005 4.464 4.470 -0.001 0.000 0.230 232 S C 1.567 176.188 174.600 0.036 0.000 1.014 232 S CA 0.753 58.899 58.200 -0.089 0.000 0.957 232 S CB -0.027 63.148 63.200 -0.041 0.000 0.784 232 S HN 0.410 nan 8.310 nan 0.000 0.499 233 I N -0.363 120.244 120.570 0.061 0.000 3.762 233 I HA 0.353 4.522 4.170 -0.001 0.000 0.333 233 I C 1.266 177.444 176.117 0.102 0.000 1.566 233 I CA -0.193 61.203 61.300 0.159 0.000 1.129 233 I CB 0.218 38.291 38.000 0.121 0.000 1.218 233 I HN 0.072 nan 8.210 nan 0.000 0.456 234 S N -0.264 115.467 115.700 0.052 0.000 2.377 234 S HA -0.107 4.362 4.470 -0.001 0.000 0.223 234 S C 1.116 175.761 174.600 0.074 0.000 1.030 234 S CA 0.692 58.914 58.200 0.036 0.000 0.970 234 S CB -0.424 62.773 63.200 -0.005 0.000 0.830 234 S HN 0.553 nan 8.310 nan 0.000 0.473 235 D N 2.346 122.810 120.400 0.106 0.000 2.545 235 D HA 0.188 4.827 4.640 -0.001 0.000 0.227 235 D C 0.781 177.231 176.300 0.249 0.000 1.150 235 D CA -0.059 54.036 54.000 0.158 0.000 1.046 235 D CB 0.105 40.998 40.800 0.155 0.000 1.098 235 D HN 0.323 nan 8.370 nan 0.000 0.502 236 K N 1.457 121.963 120.400 0.176 0.000 2.228 236 K HA -0.218 4.101 4.320 -0.001 0.000 0.205 236 K C 1.664 178.382 176.600 0.197 0.000 1.045 236 K CA 1.268 57.658 56.287 0.173 0.000 0.931 236 K CB 0.048 32.619 32.500 0.119 0.000 0.727 236 K HN 0.369 nan 8.250 nan 0.000 0.458 237 A N 0.936 123.875 122.820 0.198 0.000 1.872 237 A HA -0.160 4.160 4.320 -0.001 0.000 0.214 237 A C 1.943 179.667 177.584 0.233 0.000 1.187 237 A CA 1.007 53.154 52.037 0.183 0.000 0.614 237 A CB -0.856 18.236 19.000 0.154 0.000 0.826 237 A HN 0.583 nan 8.150 nan 0.000 0.442 238 W N 0.804 122.173 121.300 0.116 0.000 2.333 238 W HA -0.210 4.450 4.660 -0.001 0.000 0.316 238 W C 1.932 178.585 176.519 0.225 0.000 1.215 238 W CA 2.486 59.920 57.345 0.147 0.000 1.278 238 W CB -0.500 29.044 29.460 0.139 0.000 1.154 238 W HN 0.098 nan 8.180 nan 0.000 0.486 239 V N 1.559 121.677 119.914 0.340 0.000 2.287 239 V HA -0.333 3.786 4.120 -0.001 0.000 0.248 239 V C 2.542 178.699 176.094 0.104 0.000 1.053 239 V CA 2.437 64.806 62.300 0.115 0.000 1.027 239 V CB -1.745 30.232 31.823 0.257 0.000 0.646 239 V HN 0.387 nan 8.190 nan 0.000 0.447 240 A N 0.043 122.965 122.820 0.170 0.000 1.972 240 A HA -0.177 4.143 4.320 -0.001 0.000 0.219 240 A C 1.846 179.491 177.584 0.102 0.000 1.169 240 A CA 1.785 53.933 52.037 0.184 0.000 0.635 240 A CB -0.467 18.639 19.000 0.178 0.000 0.810 240 A HN 0.625 nan 8.150 nan 0.000 0.446 241 N N -1.187 117.539 118.700 0.043 0.000 2.270 241 N HA 0.088 4.827 4.740 -0.001 0.000 0.198 241 N C -0.260 175.204 175.510 -0.077 0.000 1.117 241 N CA -0.240 52.806 53.050 -0.007 0.000 0.845 241 N CB -0.089 38.397 38.487 -0.003 0.000 0.980 241 N HN 0.471 nan 8.380 nan 0.000 0.486 242 F N 2.500 122.284 119.950 -0.277 0.000 2.604 242 F HA -0.111 4.416 4.527 -0.001 0.000 0.393 242 F C 0.411 176.113 175.800 -0.164 0.000 1.043 242 F CA 0.689 58.471 58.000 -0.362 0.000 1.227 242 F CB 0.424 39.173 39.000 -0.418 0.000 1.016 242 F HN -0.049 nan 8.300 nan 0.000 0.556 243 E N 5.989 125.822 120.200 -0.611 0.000 2.502 243 E HA 0.046 4.395 4.350 -0.001 0.000 0.261 243 E C 0.449 176.797 176.600 -0.420 0.000 0.974 243 E CA -0.675 55.549 56.400 -0.294 0.000 0.795 243 E CB 1.350 30.960 29.700 -0.151 0.000 1.385 243 E HN 0.547 nan 8.360 nan 0.000 0.400 244 K N 1.666 121.911 120.400 -0.258 0.000 2.032 244 K HA -0.172 4.147 4.320 -0.001 0.000 0.218 244 K C -0.960 175.608 176.600 -0.054 0.000 1.054 244 K CA 1.958 58.172 56.287 -0.121 0.000 0.941 244 K CB -0.968 31.573 32.500 0.067 0.000 0.720 244 K HN 0.314 nan 8.250 nan 0.000 0.449 245 P HA -0.125 nan 4.420 nan 0.000 0.220 245 P C 0.558 177.906 177.300 0.080 0.000 1.144 245 P CA 1.399 64.523 63.100 0.041 0.000 0.800 245 P CB -0.002 31.723 31.700 0.041 0.000 0.772 246 K N -0.811 119.599 120.400 0.016 0.000 2.487 246 K HA 0.134 4.453 4.320 -0.001 0.000 0.192 246 K C 1.311 177.952 176.600 0.069 0.000 1.027 246 K CA -0.041 56.269 56.287 0.038 0.000 1.054 246 K CB -0.164 32.321 32.500 -0.025 0.000 0.824 246 K HN 0.143 nan 8.250 nan 0.000 0.510 247 G N 1.541 110.381 108.800 0.068 0.000 2.594 247 G HA2 -0.063 3.897 3.960 -0.001 0.000 0.243 247 G HA3 -0.063 3.897 3.960 -0.001 0.000 0.243 247 G C -0.843 173.981 174.900 -0.126 0.000 1.229 247 G CA -0.292 44.840 45.100 0.053 0.000 0.843 247 G HN 0.045 nan 8.290 nan 0.000 0.578 248 D N 1.097 121.358 120.400 -0.233 0.000 2.396 248 D HA 0.272 4.912 4.640 -0.001 0.000 0.225 248 D C -0.996 174.931 176.300 -0.622 0.000 1.121 248 D CA -2.407 51.368 54.000 -0.374 0.000 0.853 248 D CB 1.720 42.500 40.800 -0.033 0.000 1.043 248 D HN 0.077 nan 8.370 nan 0.000 0.500 249 P HA -0.092 nan 4.420 nan 0.000 0.234 249 P C 0.703 177.838 177.300 -0.276 0.000 1.167 249 P CA 0.499 63.298 63.100 -0.503 0.000 0.763 249 P CB 0.241 31.804 31.700 -0.228 0.000 0.835 250 S N -1.195 114.406 115.700 -0.165 0.000 2.524 250 S HA 0.284 4.753 4.470 -0.001 0.000 0.216 250 S C 1.272 176.076 174.600 0.340 0.000 0.987 250 S CA -0.172 58.047 58.200 0.031 0.000 0.909 250 S CB -0.599 62.730 63.200 0.215 0.000 0.781 250 S HN 0.147 nan 8.310 nan 0.000 0.521 251 A N 1.717 124.659 122.820 0.202 0.000 2.438 251 A HA 0.537 4.857 4.320 -0.001 0.000 0.280 251 A C 0.437 178.269 177.584 0.413 0.000 1.160 251 A CA -0.518 51.663 52.037 0.241 0.000 0.821 251 A CB -0.641 18.438 19.000 0.132 0.000 1.101 251 A HN 0.718 nan 8.150 nan 0.000 0.515 252 F N 1.033 121.147 119.950 0.273 0.000 2.640 252 F HA 0.243 4.769 4.527 -0.001 0.000 0.285 252 F C 1.139 177.163 175.800 0.374 0.000 1.031 252 F CA 0.019 58.232 58.000 0.354 0.000 1.240 252 F CB -0.392 38.752 39.000 0.239 0.000 1.011 252 F HN 0.344 nan 8.300 nan 0.000 0.656 253 L N 0.812 121.593 121.223 -0.737 0.000 2.127 253 L HA -0.064 4.275 4.340 -0.001 0.000 0.211 253 L C 0.847 177.659 176.870 -0.096 0.000 1.089 253 L CA 1.637 56.211 54.840 -0.443 0.000 0.757 253 L CB -0.237 41.475 42.059 -0.579 0.000 0.899 253 L HN 0.211 nan 8.230 nan 0.000 0.434 254 K N 0.094 120.474 120.400 -0.034 0.000 2.756 254 K HA 0.284 4.603 4.320 -0.001 0.000 0.218 254 K C -2.453 174.228 176.600 0.135 0.000 1.057 254 K CA -1.744 54.565 56.287 0.037 0.000 1.056 254 K CB 1.311 33.795 32.500 -0.027 0.000 1.235 254 K HN -0.237 nan 8.250 nan 0.000 0.547 255 P HA -0.138 nan 4.420 nan 0.000 0.265 255 P C 0.193 177.672 177.300 0.299 0.000 1.167 255 P CA 0.319 63.636 63.100 0.363 0.000 0.760 255 P CB 0.864 32.764 31.700 0.333 0.000 0.783 256 A N 2.620 125.660 122.820 0.368 0.000 2.015 256 A HA -0.009 4.310 4.320 -0.001 0.000 0.219 256 A C 1.094 179.009 177.584 0.552 0.000 1.163 256 A CA 1.818 54.065 52.037 0.350 0.000 0.646 256 A CB -0.885 18.215 19.000 0.165 0.000 0.806 256 A HN 0.641 nan 8.150 nan 0.000 0.448 257 T N -4.728 110.212 114.554 0.643 0.000 2.870 257 T HA 0.408 4.757 4.350 -0.001 0.000 0.277 257 T C 1.159 176.141 174.700 0.470 0.000 1.000 257 T CA 0.296 62.823 62.100 0.711 0.000 0.982 257 T CB 0.826 70.107 68.868 0.689 0.000 1.249 257 T HN 0.322 nan 8.240 nan 0.000 0.589 258 T N -1.873 112.957 114.554 0.460 0.000 2.995 258 T HA -0.000 4.349 4.350 -0.001 0.000 0.269 258 T C 1.217 175.939 174.700 0.036 0.000 1.091 258 T CA 0.666 62.907 62.100 0.235 0.000 1.128 258 T CB -0.974 68.075 68.868 0.302 0.000 0.891 258 T HN 1.191 nan 8.240 nan 0.000 0.492 259 V N 0.967 120.866 119.914 -0.025 0.000 5.487 259 V HA -0.181 3.938 4.120 -0.001 0.000 0.302 259 V C 1.101 177.109 176.094 -0.143 0.000 0.511 259 V CA 1.117 63.168 62.300 -0.416 0.000 0.684 259 V CB -2.475 28.776 31.823 -0.953 0.000 0.458 259 V HN 0.536 nan 8.190 nan 0.000 1.195 260 M N -0.161 119.495 119.600 0.092 0.000 2.502 260 M HA 0.042 4.521 4.480 -0.001 0.000 0.243 260 M C 2.283 178.746 176.300 0.271 0.000 1.130 260 M CA 1.384 56.817 55.300 0.222 0.000 1.055 260 M CB -0.357 32.325 32.600 0.136 0.000 1.457 260 M HN 0.874 nan 8.290 nan 0.000 0.488 261 S N 1.952 117.769 115.700 0.195 0.000 2.380 261 S HA -0.093 4.376 4.470 -0.001 0.000 0.229 261 S C -0.491 174.158 174.600 0.082 0.000 1.043 261 S CA 1.371 59.683 58.200 0.186 0.000 1.038 261 S CB -2.157 61.196 63.200 0.256 0.000 0.872 261 S HN 0.312 nan 8.310 nan 0.000 0.456 262 P HA -0.049 nan 4.420 nan 0.000 0.221 262 P C 0.794 178.013 177.300 -0.136 0.000 1.150 262 P CA 1.051 63.935 63.100 -0.360 0.000 0.800 262 P CB -0.302 30.849 31.700 -0.915 0.000 0.787 263 Y N -0.191 120.267 120.300 0.264 0.000 2.337 263 Y HA -0.004 4.545 4.550 -0.001 0.000 0.293 263 Y C 2.685 178.768 175.900 0.304 0.000 1.123 263 Y CA 0.634 58.964 58.100 0.383 0.000 1.201 263 Y CB -1.119 37.499 38.460 0.263 0.000 1.011 263 Y HN -0.210 nan 8.280 nan 0.000 0.545 264 L N 0.006 121.435 121.223 0.343 0.000 2.072 264 L HA -0.176 4.164 4.340 -0.001 0.000 0.205 264 L C 2.651 179.654 176.870 0.221 0.000 1.079 264 L CA 1.148 56.137 54.840 0.248 0.000 0.752 264 L CB -0.471 41.713 42.059 0.208 0.000 0.906 264 L HN 0.100 nan 8.230 nan 0.000 0.436 265 K N 0.852 121.360 120.400 0.180 0.000 2.009 265 K HA -0.209 4.110 4.320 -0.001 0.000 0.210 265 K C 1.863 178.502 176.600 0.064 0.000 1.049 265 K CA 1.973 58.313 56.287 0.088 0.000 0.929 265 K CB -0.261 32.160 32.500 -0.131 0.000 0.714 265 K HN 0.193 nan 8.250 nan 0.000 0.440 266 F N -0.011 120.095 119.950 0.260 0.000 2.811 266 F HA 0.170 4.696 4.527 -0.001 0.000 0.301 266 F C 1.542 177.495 175.800 0.255 0.000 1.151 266 F CA 0.837 58.992 58.000 0.257 0.000 1.412 266 F CB 0.174 39.347 39.000 0.289 0.000 1.113 266 F HN 0.412 nan 8.300 nan 0.000 0.579 267 G N -0.926 108.126 108.800 0.420 0.000 2.148 267 G HA2 -0.334 3.626 3.960 -0.001 0.000 0.254 267 G HA3 -0.334 3.626 3.960 -0.001 0.000 0.254 267 G C 1.144 176.214 174.900 0.284 0.000 0.981 267 G CA 0.332 45.635 45.100 0.338 0.000 0.670 267 G HN 0.411 nan 8.290 nan 0.000 0.528 268 C N -0.941 118.575 119.300 0.361 0.000 2.422 268 C HA 0.313 4.772 4.460 -0.001 0.000 0.279 268 C C 1.299 176.486 174.990 0.328 0.000 1.305 268 C CA 1.164 60.379 59.018 0.328 0.000 1.757 268 C CB -0.929 27.084 27.740 0.454 0.000 1.962 268 C HN 0.682 nan 8.230 nan 0.000 0.499 269 L N 0.198 121.632 121.223 0.352 0.000 2.346 269 L HA 0.492 4.831 4.340 -0.001 0.000 0.276 269 L C 0.025 177.086 176.870 0.318 0.000 1.006 269 L CA 0.098 55.159 54.840 0.369 0.000 0.817 269 L CB 1.368 43.587 42.059 0.267 0.000 1.272 269 L HN -0.034 nan 8.230 nan 0.000 0.421 270 S N 1.584 117.542 115.700 0.431 0.000 2.505 270 S HA 0.182 4.651 4.470 -0.001 0.000 0.276 270 S C 1.270 176.056 174.600 0.310 0.000 1.274 270 S CA 0.107 58.477 58.200 0.284 0.000 1.053 270 S CB 0.585 63.970 63.200 0.307 0.000 0.919 270 S HN 0.885 nan 8.310 nan 0.000 0.490 271 S N 5.309 121.113 115.700 0.174 0.000 2.453 271 S HA -0.049 4.420 4.470 -0.001 0.000 0.231 271 S C 1.655 176.355 174.600 0.168 0.000 1.005 271 S CA 0.302 58.608 58.200 0.175 0.000 0.949 271 S CB -0.207 62.998 63.200 0.009 0.000 0.774 271 S HN 0.813 nan 8.310 nan 0.000 0.510 272 R N -0.134 120.445 120.500 0.132 0.000 2.062 272 R HA 0.066 4.405 4.340 -0.001 0.000 0.229 272 R C 2.238 178.685 176.300 0.244 0.000 1.128 272 R CA 1.483 57.647 56.100 0.107 0.000 0.960 272 R CB -0.814 29.517 30.300 0.052 0.000 0.855 272 R HN 0.511 nan 8.270 nan 0.000 0.432 273 Y N 0.776 121.180 120.300 0.174 0.000 2.145 273 Y HA -0.218 4.331 4.550 -0.001 0.000 0.286 273 Y C 1.844 177.873 175.900 0.216 0.000 1.145 273 Y CA 1.230 59.433 58.100 0.172 0.000 1.148 273 Y CB -0.535 38.034 38.460 0.181 0.000 0.981 273 Y HN 0.059 nan 8.280 nan 0.000 0.507 274 F N -0.992 118.936 119.950 -0.037 0.000 2.126 274 F HA -0.361 4.165 4.527 -0.001 0.000 0.299 274 F C 2.307 178.010 175.800 -0.163 0.000 1.096 274 F CA 1.358 59.258 58.000 -0.167 0.000 1.255 274 F CB -0.519 38.472 39.000 -0.015 0.000 0.997 274 F HN 0.231 nan 8.300 nan 0.000 0.479 275 Y N 1.626 121.888 120.300 -0.064 0.000 2.128 275 Y HA -0.340 4.209 4.550 -0.001 0.000 0.284 275 Y C 2.577 178.362 175.900 -0.191 0.000 1.154 275 Y CA 2.321 60.299 58.100 -0.203 0.000 1.149 275 Y CB -0.703 37.670 38.460 -0.145 0.000 0.976 275 Y HN 0.178 nan 8.280 nan 0.000 0.505 276 Q N -1.191 118.617 119.800 0.014 0.000 2.020 276 Q HA -0.242 4.097 4.340 -0.001 0.000 0.202 276 Q C 2.490 178.366 176.000 -0.207 0.000 0.982 276 Q CA 1.793 57.556 55.803 -0.067 0.000 0.838 276 Q CB -0.716 28.048 28.738 0.043 0.000 0.899 276 Q HN 0.514 nan 8.270 nan 0.000 0.423 277 C N 0.799 119.938 119.300 -0.269 0.000 2.385 277 C HA -0.197 4.262 4.460 -0.001 0.000 0.275 277 C C 2.639 177.468 174.990 -0.269 0.000 1.199 277 C CA 0.843 59.690 59.018 -0.286 0.000 1.782 277 C CB -1.115 26.403 27.740 -0.370 0.000 2.068 277 C HN 0.469 nan 8.230 nan 0.000 0.471 278 L N -0.409 120.592 121.223 -0.371 0.000 2.056 278 L HA -0.170 4.169 4.340 -0.001 0.000 0.207 278 L C 2.716 179.102 176.870 -0.808 0.000 1.078 278 L CA 1.361 55.810 54.840 -0.651 0.000 0.749 278 L CB -0.708 40.832 42.059 -0.865 0.000 0.901 278 L HN 0.291 nan 8.230 nan 0.000 0.433 279 Q N 0.310 119.738 119.800 -0.619 0.000 2.124 279 Q HA -0.174 4.165 4.340 -0.001 0.000 0.202 279 Q C 1.971 177.854 176.000 -0.195 0.000 0.977 279 Q CA 1.567 57.124 55.803 -0.410 0.000 0.850 279 Q CB -0.104 28.451 28.738 -0.305 0.000 0.901 279 Q HN 0.422 nan 8.270 nan 0.000 0.429 280 N N -0.405 118.193 118.700 -0.169 0.000 2.188 280 N HA -0.092 4.647 4.740 -0.001 0.000 0.184 280 N C 1.704 177.190 175.510 -0.040 0.000 1.018 280 N CA 1.187 54.193 53.050 -0.073 0.000 0.858 280 N CB -0.172 38.277 38.487 -0.064 0.000 0.989 280 N HN 0.340 nan 8.380 nan 0.000 0.426 281 I N 0.051 120.567 120.570 -0.090 0.000 2.315 281 I HA -0.240 3.930 4.170 -0.001 0.000 0.248 281 I C 1.826 178.025 176.117 0.137 0.000 1.117 281 I CA 0.929 62.228 61.300 -0.002 0.000 1.404 281 I CB -0.331 37.644 38.000 -0.041 0.000 1.071 281 I HN 0.158 nan 8.210 nan 0.000 0.419 282 Y N 1.588 121.825 120.300 -0.106 0.000 2.333 282 Y HA -0.233 4.316 4.550 -0.001 0.000 0.290 282 Y C 2.562 178.529 175.900 0.112 0.000 1.144 282 Y CA 0.735 58.773 58.100 -0.104 0.000 1.228 282 Y CB -0.063 38.139 38.460 -0.430 0.000 0.985 282 Y HN 0.310 nan 8.280 nan 0.000 0.542 283 K N -0.581 119.939 120.400 0.200 0.000 2.242 283 K HA -0.022 4.297 4.320 -0.001 0.000 0.200 283 K C 0.483 177.146 176.600 0.105 0.000 1.050 283 K CA 1.220 57.591 56.287 0.140 0.000 0.981 283 K CB -0.113 32.439 32.500 0.087 0.000 0.795 283 K HN -0.022 nan 8.250 nan 0.000 0.477 284 D N 1.282 121.738 120.400 0.094 0.000 2.338 284 D HA 0.052 4.691 4.640 -0.001 0.000 0.239 284 D C -0.673 175.677 176.300 0.083 0.000 1.095 284 D CA 0.262 54.305 54.000 0.072 0.000 0.888 284 D CB 0.620 41.453 40.800 0.055 0.000 0.899 284 D HN 0.034 nan 8.370 nan 0.000 0.525 285 V N -0.305 119.677 119.914 0.113 0.000 3.040 285 V HA 0.247 4.367 4.120 -0.001 0.000 0.312 285 V C 0.257 176.393 176.094 0.069 0.000 1.115 285 V CA -0.729 61.633 62.300 0.104 0.000 0.998 285 V CB 2.176 34.093 31.823 0.155 0.000 1.042 285 V HN -0.283 nan 8.190 nan 0.000 0.433 286 K N 2.342 122.759 120.400 0.028 0.000 1.978 286 K HA 0.155 4.474 4.320 -0.001 0.000 0.221 286 K C 0.271 176.813 176.600 -0.096 0.000 1.036 286 K CA 1.540 57.814 56.287 -0.021 0.000 0.996 286 K CB -0.160 32.328 32.500 -0.020 0.000 0.755 286 K HN 0.575 nan 8.250 nan 0.000 0.445 287 K N 0.447 120.776 120.400 -0.119 0.000 2.166 287 K HA 0.350 4.669 4.320 -0.001 0.000 0.245 287 K C -0.807 175.668 176.600 -0.208 0.000 0.967 287 K CA -0.704 55.428 56.287 -0.258 0.000 0.863 287 K CB 1.694 34.089 32.500 -0.176 0.000 1.107 287 K HN 0.486 nan 8.250 nan 0.000 0.436 288 H N -3.013 115.964 119.070 -0.156 0.000 2.981 288 H HA 0.247 4.802 4.556 -0.001 0.000 0.327 288 H C -0.695 174.491 175.328 -0.236 0.000 1.342 288 H CA -1.054 54.862 56.048 -0.219 0.000 1.123 288 H CB 0.098 29.611 29.762 -0.416 0.000 1.851 288 H HN 0.587 nan 8.280 nan 0.000 0.531 289 T N -0.773 113.804 114.554 0.038 0.000 2.766 289 T HA 0.561 4.910 4.350 -0.001 0.000 0.295 289 T C 0.141 174.859 174.700 0.031 0.000 1.024 289 T CA -0.392 61.726 62.100 0.029 0.000 1.018 289 T CB 0.723 69.626 68.868 0.058 0.000 1.002 289 T HN 0.593 nan 8.240 nan 0.000 0.532 290 S N 1.779 117.509 115.700 0.049 0.000 2.632 290 S HA 0.639 5.108 4.470 -0.001 0.000 0.289 290 S C -2.667 171.997 174.600 0.106 0.000 1.115 290 S CA -1.356 56.882 58.200 0.063 0.000 0.889 290 S CB 1.898 65.131 63.200 0.055 0.000 1.116 290 S HN 0.771 nan 8.310 nan 0.000 0.486 291 P HA 0.146 nan 4.420 nan 0.000 0.269 291 P C -2.067 175.348 177.300 0.192 0.000 1.215 291 P CA -0.915 62.306 63.100 0.202 0.000 0.780 291 P CB 0.069 31.915 31.700 0.244 0.000 0.898 292 P HA -0.063 nan 4.420 nan 0.000 0.224 292 P C 1.497 178.908 177.300 0.185 0.000 1.157 292 P CA 0.881 63.992 63.100 0.019 0.000 0.799 292 P CB -0.175 31.357 31.700 -0.280 0.000 0.809 293 V N -0.806 119.205 119.914 0.161 0.000 2.626 293 V HA -0.076 4.044 4.120 -0.001 0.000 0.252 293 V C 1.330 177.592 176.094 0.279 0.000 1.067 293 V CA 1.026 63.433 62.300 0.178 0.000 1.081 293 V CB -2.005 29.879 31.823 0.102 0.000 0.686 293 V HN 0.191 nan 8.190 nan 0.000 0.468 294 S N 0.410 116.249 115.700 0.232 0.000 2.566 294 S HA 0.120 4.590 4.470 -0.001 0.000 0.280 294 S C 0.867 175.559 174.600 0.153 0.000 1.343 294 S CA 0.248 58.595 58.200 0.245 0.000 1.036 294 S CB 1.035 64.321 63.200 0.143 0.000 0.866 294 S HN 0.490 nan 8.310 nan 0.000 0.526 295 L N 2.199 123.320 121.223 -0.171 0.000 2.042 295 L HA -0.023 4.316 4.340 -0.001 0.000 0.210 295 L C 2.184 178.809 176.870 -0.408 0.000 1.076 295 L CA 1.839 56.159 54.840 -0.868 0.000 0.749 295 L CB -1.068 40.359 42.059 -1.054 0.000 0.893 295 L HN 0.907 nan 8.230 nan 0.000 0.432 296 L N -0.887 120.202 121.223 -0.223 0.000 2.131 296 L HA -0.034 4.305 4.340 -0.001 0.000 0.210 296 L C 2.250 179.103 176.870 -0.028 0.000 1.092 296 L CA 1.620 56.327 54.840 -0.221 0.000 0.759 296 L CB -0.946 41.018 42.059 -0.158 0.000 0.903 296 L HN 0.338 nan 8.230 nan 0.000 0.435 297 G N -1.064 107.780 108.800 0.073 0.000 2.470 297 G HA2 -0.233 3.727 3.960 -0.001 0.000 0.220 297 G HA3 -0.233 3.727 3.960 -0.001 0.000 0.220 297 G C 1.367 176.408 174.900 0.235 0.000 1.121 297 G CA 0.411 45.619 45.100 0.179 0.000 0.766 297 G HN 0.398 nan 8.290 nan 0.000 0.553 298 Q N 0.133 120.037 119.800 0.174 0.000 2.123 298 Q HA 0.109 4.449 4.340 -0.001 0.000 0.199 298 Q C 2.738 178.880 176.000 0.236 0.000 0.966 298 Q CA 0.550 56.513 55.803 0.265 0.000 0.845 298 Q CB -0.485 28.297 28.738 0.073 0.000 0.907 298 Q HN 0.504 nan 8.270 nan 0.000 0.439 299 L N -0.008 121.264 121.223 0.082 0.000 2.131 299 L HA -0.143 4.196 4.340 -0.001 0.000 0.210 299 L C 2.026 179.005 176.870 0.181 0.000 1.092 299 L CA 0.502 55.397 54.840 0.091 0.000 0.759 299 L CB -0.429 41.625 42.059 -0.008 0.000 0.903 299 L HN 0.211 nan 8.230 nan 0.000 0.435 300 L N -1.526 119.805 121.223 0.180 0.000 2.141 300 L HA -0.174 4.165 4.340 -0.001 0.000 0.209 300 L C 2.279 179.207 176.870 0.097 0.000 1.094 300 L CA 1.852 56.761 54.840 0.114 0.000 0.763 300 L CB -1.295 40.750 42.059 -0.023 0.000 0.908 300 L HN 0.381 nan 8.230 nan 0.000 0.437 301 W N 0.520 122.012 121.300 0.319 0.000 2.358 301 W HA -0.188 4.471 4.660 -0.001 0.000 0.303 301 W C 2.925 179.632 176.519 0.314 0.000 1.208 301 W CA 1.267 58.781 57.345 0.280 0.000 1.274 301 W CB -0.336 29.235 29.460 0.184 0.000 1.138 301 W HN 0.091 nan 8.180 nan 0.000 0.515 302 R N 0.739 121.537 120.500 0.496 0.000 2.083 302 R HA -0.198 4.141 4.340 -0.001 0.000 0.237 302 R C 2.042 178.570 176.300 0.381 0.000 1.137 302 R CA 1.884 58.256 56.100 0.454 0.000 0.951 302 R CB -0.318 30.150 30.300 0.280 0.000 0.851 302 R HN 0.023 nan 8.270 nan 0.000 0.434 303 E N -0.046 120.274 120.200 0.200 0.000 2.110 303 E HA -0.205 4.145 4.350 -0.001 0.000 0.193 303 E C 1.694 178.114 176.600 -0.301 0.000 0.988 303 E CA 0.993 57.459 56.400 0.110 0.000 0.804 303 E CB -0.381 29.489 29.700 0.283 0.000 0.745 303 E HN 0.347 nan 8.360 nan 0.000 0.458 304 F N 0.681 120.210 119.950 -0.702 0.000 2.102 304 F HA -0.183 4.343 4.527 -0.001 0.000 0.298 304 F C 2.024 177.505 175.800 -0.532 0.000 1.105 304 F CA 1.333 58.678 58.000 -1.091 0.000 1.239 304 F CB -0.507 37.961 39.000 -0.887 0.000 0.991 304 F HN -0.093 nan 8.300 nan 0.000 0.474 305 F N -1.528 118.297 119.950 -0.208 0.000 2.206 305 F HA -0.143 4.383 4.527 -0.001 0.000 0.298 305 F C 2.175 177.846 175.800 -0.215 0.000 1.090 305 F CA 1.123 58.981 58.000 -0.238 0.000 1.323 305 F CB -0.942 38.078 39.000 0.033 0.000 1.028 305 F HN -0.047 nan 8.300 nan 0.000 0.492 306 Y N 0.425 120.760 120.300 0.057 0.000 2.114 306 Y HA -0.265 4.284 4.550 -0.001 0.000 0.284 306 Y C 2.697 178.640 175.900 0.070 0.000 1.143 306 Y CA 2.088 60.254 58.100 0.110 0.000 1.135 306 Y CB -0.926 37.636 38.460 0.169 0.000 0.980 306 Y HN -0.092 nan 8.280 nan 0.000 0.499 307 T N -1.111 113.535 114.554 0.153 0.000 2.708 307 T HA -0.177 4.172 4.350 -0.001 0.000 0.266 307 T C 1.822 176.565 174.700 0.071 0.000 1.037 307 T CA 2.006 64.213 62.100 0.178 0.000 1.146 307 T CB -0.530 68.516 68.868 0.297 0.000 0.865 307 T HN 0.363 nan 8.240 nan 0.000 0.435 308 T N 1.783 116.228 114.554 -0.183 0.000 2.867 308 T HA 0.037 4.387 4.350 -0.001 0.000 0.268 308 T C 2.334 176.854 174.700 -0.300 0.000 1.057 308 T CA 1.017 63.008 62.100 -0.183 0.000 1.136 308 T CB -0.412 68.287 68.868 -0.282 0.000 0.874 308 T HN 0.416 nan 8.240 nan 0.000 0.466 309 A N 1.271 123.737 122.820 -0.590 0.000 1.855 309 A HA 0.020 4.340 4.320 -0.001 0.000 0.215 309 A C 1.980 179.477 177.584 -0.145 0.000 1.191 309 A CA 1.166 52.575 52.037 -1.047 0.000 0.613 309 A CB -1.077 17.380 19.000 -0.907 0.000 0.829 309 A HN 0.454 nan 8.150 nan 0.000 0.442 310 F N 1.329 121.268 119.950 -0.020 0.000 2.154 310 F HA -0.103 4.423 4.527 -0.001 0.000 0.301 310 F C 1.988 177.852 175.800 0.107 0.000 1.087 310 F CA 1.594 59.664 58.000 0.116 0.000 1.274 310 F CB -0.308 38.791 39.000 0.165 0.000 1.009 310 F HN 0.183 nan 8.300 nan 0.000 0.485 311 G N -0.966 107.886 108.800 0.088 0.000 3.189 311 G HA2 0.136 4.095 3.960 -0.001 0.000 0.225 311 G HA3 0.136 4.095 3.960 -0.001 0.000 0.225 311 G C -0.126 174.795 174.900 0.036 0.000 1.159 311 G CA 0.245 45.362 45.100 0.029 0.000 0.763 311 G HN 0.239 nan 8.290 nan 0.000 0.549 312 T N 2.457 117.049 114.554 0.063 0.000 2.833 312 T HA 0.444 4.794 4.350 -0.001 0.000 0.297 312 T C -2.746 172.079 174.700 0.207 0.000 1.015 312 T CA -1.068 61.131 62.100 0.165 0.000 0.963 312 T CB 2.498 71.557 68.868 0.317 0.000 0.955 312 T HN -0.125 nan 8.240 nan 0.000 0.449 313 P HA 0.253 nan 4.420 nan 0.000 0.271 313 P C 0.067 177.491 177.300 0.207 0.000 1.216 313 P CA -0.123 63.064 63.100 0.144 0.000 0.776 313 P CB 0.183 31.936 31.700 0.088 0.000 0.881 314 N N 0.074 118.913 118.700 0.231 0.000 2.714 314 N HA -0.277 4.463 4.740 -0.001 0.000 0.250 314 N C 0.386 176.081 175.510 0.308 0.000 1.117 314 N CA 0.243 53.438 53.050 0.242 0.000 0.719 314 N CB -2.210 36.373 38.487 0.160 0.000 1.081 314 N HN 0.381 nan 8.380 nan 0.000 0.557 315 F N 2.029 122.119 119.950 0.234 0.000 2.184 315 F HA -0.213 4.313 4.527 -0.001 0.000 0.301 315 F C 1.667 177.574 175.800 0.179 0.000 1.076 315 F CA 1.979 60.089 58.000 0.183 0.000 1.295 315 F CB 0.038 39.130 39.000 0.153 0.000 1.026 315 F HN 0.264 nan 8.300 nan 0.000 0.494 316 D N 0.146 120.714 120.400 0.280 0.000 2.561 316 D HA 0.126 4.765 4.640 -0.001 0.000 0.232 316 D C -0.446 175.964 176.300 0.182 0.000 1.198 316 D CA -0.273 53.834 54.000 0.178 0.000 0.826 316 D CB -0.715 40.305 40.800 0.366 0.000 0.992 316 D HN 0.525 nan 8.370 nan 0.000 0.490 317 K N -2.356 118.171 120.400 0.212 0.000 2.607 317 K HA 0.285 4.604 4.320 -0.001 0.000 0.287 317 K C -0.030 176.711 176.600 0.235 0.000 0.996 317 K CA -0.986 55.338 56.287 0.062 0.000 0.876 317 K CB 1.059 33.560 32.500 0.001 0.000 1.496 317 K HN -0.081 nan 8.250 nan 0.000 0.415 318 M N 0.924 120.630 119.600 0.175 0.000 2.171 318 M HA 0.097 4.577 4.480 -0.001 0.000 0.260 318 M C -0.071 176.335 176.300 0.177 0.000 1.087 318 M CA 1.146 56.635 55.300 0.315 0.000 1.154 318 M CB 0.199 33.020 32.600 0.368 0.000 1.331 318 M HN 0.613 nan 8.290 nan 0.000 0.431 319 K N 1.251 121.719 120.400 0.113 0.000 2.453 319 K HA 0.073 4.392 4.320 -0.001 0.000 0.280 319 K C 0.588 177.231 176.600 0.072 0.000 1.045 319 K CA 0.744 57.075 56.287 0.074 0.000 1.059 319 K CB -0.258 32.267 32.500 0.042 0.000 0.901 319 K HN 0.715 nan 8.250 nan 0.000 0.475 320 G N 2.383 111.222 108.800 0.066 0.000 2.159 320 G HA2 -0.270 3.689 3.960 -0.001 0.000 0.256 320 G HA3 -0.270 3.689 3.960 -0.001 0.000 0.256 320 G C -0.072 174.878 174.900 0.084 0.000 0.977 320 G CA -0.158 44.981 45.100 0.065 0.000 0.652 320 G HN 0.659 nan 8.290 nan 0.000 0.531 321 N N 0.603 119.363 118.700 0.099 0.000 2.420 321 N HA 0.240 4.980 4.740 -0.001 0.000 0.249 321 N C 1.563 177.121 175.510 0.080 0.000 1.033 321 N CA -0.289 52.828 53.050 0.112 0.000 0.944 321 N CB 0.640 39.208 38.487 0.135 0.000 1.113 321 N HN 0.394 nan 8.380 nan 0.000 0.502 322 R N 4.325 124.872 120.500 0.079 0.000 2.200 322 R HA -0.099 4.240 4.340 -0.001 0.000 0.234 322 R C 1.209 177.530 176.300 0.036 0.000 1.127 322 R CA 1.341 57.474 56.100 0.055 0.000 0.989 322 R CB -0.106 30.232 30.300 0.064 0.000 0.869 322 R HN 0.781 nan 8.270 nan 0.000 0.459 323 I N -2.589 118.002 120.570 0.036 0.000 4.025 323 I HA 0.250 4.419 4.170 -0.001 0.000 0.336 323 I C -0.002 176.082 176.117 -0.056 0.000 1.390 323 I CA -0.727 60.565 61.300 -0.014 0.000 1.099 323 I CB 0.333 38.313 38.000 -0.035 0.000 1.049 323 I HN -0.049 nan 8.210 nan 0.000 0.394 324 C N 2.648 121.941 119.300 -0.012 0.000 2.273 324 C HA 0.469 4.928 4.460 -0.001 0.000 0.328 324 C C 0.661 175.664 174.990 0.021 0.000 1.275 324 C CA -0.629 58.389 59.018 0.000 0.000 1.704 324 C CB 0.068 27.863 27.740 0.092 0.000 2.326 324 C HN 0.337 nan 8.230 nan 0.000 0.517 325 K N 3.640 124.035 120.400 -0.009 0.000 2.511 325 K HA 0.064 4.383 4.320 -0.001 0.000 0.280 325 K C 0.339 176.924 176.600 -0.026 0.000 1.008 325 K CA 0.852 57.092 56.287 -0.077 0.000 1.050 325 K CB 0.365 32.769 32.500 -0.160 0.000 0.889 325 K HN 0.646 nan 8.250 nan 0.000 0.484 326 Q N 3.857 123.613 119.800 -0.074 0.000 2.369 326 Q HA 0.212 4.551 4.340 -0.001 0.000 0.247 326 Q C -0.274 175.630 176.000 -0.160 0.000 1.083 326 Q CA 0.180 55.946 55.803 -0.062 0.000 0.905 326 Q CB 0.191 28.897 28.738 -0.052 0.000 1.305 326 Q HN 0.471 nan 8.270 nan 0.000 0.465 327 I N 4.742 125.154 120.570 -0.264 0.000 2.474 327 I HA 0.269 4.438 4.170 -0.001 0.000 0.294 327 I C -1.939 173.778 176.117 -0.666 0.000 1.005 327 I CA -2.341 58.605 61.300 -0.592 0.000 1.113 327 I CB 2.473 39.796 38.000 -1.129 0.000 1.289 327 I HN 0.208 nan 8.210 nan 0.000 0.436 328 P HA 0.056 nan 4.420 nan 0.000 0.225 328 P C -0.723 176.481 177.300 -0.159 0.000 1.813 328 P CA -0.255 62.720 63.100 -0.208 0.000 1.013 328 P CB -0.471 31.184 31.700 -0.075 0.000 1.961 329 W N 1.635 122.827 121.300 -0.180 0.000 2.042 329 W HA 0.055 4.714 4.660 -0.001 0.000 0.358 329 W C 0.983 177.478 176.519 -0.039 0.000 1.325 329 W CA -0.111 57.037 57.345 -0.328 0.000 1.311 329 W CB -0.139 29.021 29.460 -0.500 0.000 1.210 329 W HN 0.166 nan 8.180 nan 0.000 0.620 330 N N 1.286 120.165 118.700 0.299 0.000 2.430 330 N HA 0.191 4.930 4.740 -0.001 0.000 0.298 330 N C -1.024 174.564 175.510 0.130 0.000 1.130 330 N CA -0.679 52.497 53.050 0.211 0.000 0.894 330 N CB 1.605 40.228 38.487 0.226 0.000 1.209 330 N HN 0.378 nan 8.380 nan 0.000 0.503 331 E N 0.919 121.172 120.200 0.088 0.000 2.199 331 E HA 0.281 4.631 4.350 -0.001 0.000 0.269 331 E C -1.629 174.997 176.600 0.043 0.000 0.899 331 E CA -0.298 56.130 56.400 0.047 0.000 0.772 331 E CB 1.255 30.976 29.700 0.036 0.000 1.155 331 E HN 0.474 nan 8.360 nan 0.000 0.408 332 D N 3.464 123.880 120.400 0.027 0.000 2.362 332 D HA -0.030 4.609 4.640 -0.001 0.000 0.228 332 D C 0.925 177.199 176.300 -0.044 0.000 1.326 332 D CA -0.233 53.757 54.000 -0.018 0.000 0.927 332 D CB -0.159 40.627 40.800 -0.023 0.000 1.501 332 D HN 0.722 nan 8.370 nan 0.000 0.519 333 H N 2.117 121.198 119.070 0.019 0.000 2.431 333 H HA -0.154 4.401 4.556 -0.001 0.000 0.297 333 H C 1.286 176.639 175.328 0.042 0.000 1.115 333 H CA 1.543 57.605 56.048 0.024 0.000 1.277 333 H CB -0.269 29.500 29.762 0.013 0.000 1.372 333 H HN 0.288 nan 8.280 nan 0.000 0.516 334 A N 1.988 124.528 122.820 -0.465 0.000 1.845 334 A HA -0.120 4.199 4.320 -0.001 0.000 0.215 334 A C 2.839 180.405 177.584 -0.030 0.000 1.195 334 A CA 1.967 53.875 52.037 -0.216 0.000 0.616 334 A CB -0.735 18.106 19.000 -0.265 0.000 0.832 334 A HN 0.409 nan 8.150 nan 0.000 0.443 335 M N -1.256 118.334 119.600 -0.017 0.000 2.175 335 M HA -0.076 4.403 4.480 -0.001 0.000 0.264 335 M C 2.202 178.594 176.300 0.152 0.000 1.063 335 M CA 1.235 56.581 55.300 0.077 0.000 1.119 335 M CB -0.449 32.189 32.600 0.063 0.000 1.377 335 M HN 0.442 nan 8.290 nan 0.000 0.415 336 L N 0.951 122.244 121.223 0.117 0.000 2.046 336 L HA -0.083 4.256 4.340 -0.001 0.000 0.208 336 L C 2.573 179.593 176.870 0.250 0.000 1.077 336 L CA 2.082 57.030 54.840 0.180 0.000 0.747 336 L CB -0.826 41.295 42.059 0.104 0.000 0.896 336 L HN 0.193 nan 8.230 nan 0.000 0.432 337 A N -0.475 122.445 122.820 0.167 0.000 1.877 337 A HA -0.093 4.226 4.320 -0.001 0.000 0.216 337 A C 2.475 180.137 177.584 0.130 0.000 1.186 337 A CA 1.832 53.952 52.037 0.138 0.000 0.620 337 A CB -1.239 17.828 19.000 0.111 0.000 0.822 337 A HN 0.577 nan 8.150 nan 0.000 0.443 338 A N -1.271 121.632 122.820 0.139 0.000 1.873 338 A HA -0.222 4.097 4.320 -0.001 0.000 0.218 338 A C 2.019 179.705 177.584 0.171 0.000 1.193 338 A CA 1.813 53.926 52.037 0.126 0.000 0.629 338 A CB -1.047 18.037 19.000 0.140 0.000 0.826 338 A HN 0.888 nan 8.150 nan 0.000 0.447 339 W N 0.540 121.891 121.300 0.084 0.000 2.353 339 W HA -0.175 4.484 4.660 -0.001 0.000 0.319 339 W C 2.485 179.042 176.519 0.063 0.000 1.207 339 W CA 2.188 59.592 57.345 0.097 0.000 1.291 339 W CB -0.330 29.222 29.460 0.155 0.000 1.159 339 W HN 0.300 nan 8.180 nan 0.000 0.478 340 R N 0.303 120.881 120.500 0.131 0.000 2.103 340 R HA -0.186 4.153 4.340 -0.001 0.000 0.242 340 R C 0.772 176.961 176.300 -0.185 0.000 1.142 340 R CA 2.174 58.206 56.100 -0.112 0.000 0.960 340 R CB -0.872 29.497 30.300 0.115 0.000 0.858 340 R HN 0.169 nan 8.270 nan 0.000 0.439 341 D N -0.959 119.388 120.400 -0.089 0.000 2.342 341 D HA 0.127 4.767 4.640 -0.001 0.000 0.221 341 D C 0.400 176.633 176.300 -0.112 0.000 1.101 341 D CA 0.804 54.752 54.000 -0.087 0.000 0.837 341 D CB 0.467 41.248 40.800 -0.031 0.000 0.938 341 D HN 0.481 nan 8.370 nan 0.000 0.508 342 G N 2.192 110.892 108.800 -0.168 0.000 2.353 342 G HA2 -0.264 3.695 3.960 -0.001 0.000 0.294 342 G HA3 -0.264 3.695 3.960 -0.001 0.000 0.294 342 G C 0.401 175.257 174.900 -0.074 0.000 1.077 342 G CA -0.170 44.843 45.100 -0.146 0.000 1.098 342 G HN 0.142 nan 8.290 nan 0.000 0.511 343 K N 0.164 120.526 120.400 -0.062 0.000 2.972 343 K HA 0.184 4.503 4.320 -0.001 0.000 0.209 343 K C 1.779 178.343 176.600 -0.060 0.000 1.128 343 K CA 0.513 56.742 56.287 -0.096 0.000 1.024 343 K CB 0.267 32.727 32.500 -0.067 0.000 0.754 343 K HN 0.599 nan 8.250 nan 0.000 0.454 344 T N -2.859 111.698 114.554 0.005 0.000 2.985 344 T HA 0.042 4.392 4.350 -0.001 0.000 0.266 344 T C 1.472 176.223 174.700 0.085 0.000 1.076 344 T CA 1.234 63.414 62.100 0.134 0.000 1.135 344 T CB 0.063 69.018 68.868 0.146 0.000 0.890 344 T HN 0.390 nan 8.240 nan 0.000 0.480 345 G N 0.197 108.959 108.800 -0.063 0.000 2.176 345 G HA2 -0.207 3.752 3.960 -0.001 0.000 0.232 345 G HA3 -0.207 3.752 3.960 -0.001 0.000 0.232 345 G C -0.179 174.808 174.900 0.144 0.000 0.986 345 G CA -0.101 44.896 45.100 -0.173 0.000 0.643 345 G HN 0.608 nan 8.290 nan 0.000 0.522 346 Y N 0.523 120.991 120.300 0.280 0.000 2.593 346 Y HA 0.441 4.990 4.550 -0.001 0.000 0.331 346 Y C -0.919 175.205 175.900 0.373 0.000 0.986 346 Y CA -1.905 56.420 58.100 0.375 0.000 1.262 346 Y CB 1.643 40.227 38.460 0.207 0.000 1.098 346 Y HN -0.016 nan 8.280 nan 0.000 0.506 347 P HA -0.349 nan 4.420 nan 0.000 0.222 347 P C 1.768 179.270 177.300 0.336 0.000 1.157 347 P CA 2.126 65.392 63.100 0.277 0.000 0.905 347 P CB 0.020 31.764 31.700 0.072 0.000 0.792 348 W N -0.048 121.419 121.300 0.278 0.000 2.333 348 W HA -0.209 4.450 4.660 -0.001 0.000 0.316 348 W C 1.696 178.321 176.519 0.177 0.000 1.215 348 W CA 1.135 58.658 57.345 0.297 0.000 1.278 348 W CB -0.591 29.122 29.460 0.422 0.000 1.154 348 W HN -0.170 nan 8.180 nan 0.000 0.486 349 I N 1.414 122.051 120.570 0.112 0.000 2.142 349 I HA -0.293 3.876 4.170 -0.001 0.000 0.240 349 I C 2.033 178.033 176.117 -0.195 0.000 1.078 349 I CA 1.839 63.032 61.300 -0.178 0.000 1.343 349 I CB -1.756 36.042 38.000 -0.338 0.000 1.046 349 I HN -0.026 nan 8.210 nan 0.000 0.405 350 D N 1.022 121.396 120.400 -0.044 0.000 2.144 350 D HA -0.118 4.521 4.640 -0.001 0.000 0.199 350 D C 2.261 178.494 176.300 -0.111 0.000 0.984 350 D CA 1.513 55.485 54.000 -0.047 0.000 0.834 350 D CB -0.081 40.804 40.800 0.142 0.000 0.955 350 D HN 0.316 nan 8.370 nan 0.000 0.465 351 A N 0.906 123.679 122.820 -0.078 0.000 1.877 351 A HA -0.148 4.172 4.320 -0.001 0.000 0.216 351 A C 2.393 179.741 177.584 -0.393 0.000 1.186 351 A CA 0.963 52.903 52.037 -0.162 0.000 0.620 351 A CB -0.744 18.254 19.000 -0.004 0.000 0.822 351 A HN 0.192 nan 8.150 nan 0.000 0.443 352 I N -0.685 119.679 120.570 -0.345 0.000 2.163 352 I HA -0.300 3.869 4.170 -0.001 0.000 0.243 352 I C 2.504 178.333 176.117 -0.481 0.000 1.085 352 I CA 1.343 62.371 61.300 -0.453 0.000 1.347 352 I CB -0.440 37.230 38.000 -0.550 0.000 1.044 352 I HN 0.264 nan 8.210 nan 0.000 0.408 353 M N -0.027 119.322 119.600 -0.417 0.000 2.279 353 M HA -0.124 4.356 4.480 -0.001 0.000 0.264 353 M C 2.353 178.435 176.300 -0.363 0.000 1.062 353 M CA 1.375 56.426 55.300 -0.416 0.000 1.099 353 M CB -1.083 31.237 32.600 -0.466 0.000 1.394 353 M HN 0.122 nan 8.290 nan 0.000 0.426 354 V N -0.246 119.447 119.914 -0.368 0.000 2.488 354 V HA -0.223 3.896 4.120 -0.001 0.000 0.246 354 V C 2.407 178.251 176.094 -0.416 0.000 1.046 354 V CA 1.521 63.641 62.300 -0.300 0.000 1.053 354 V CB -0.630 31.071 31.823 -0.204 0.000 0.679 354 V HN 0.518 nan 8.190 nan 0.000 0.458 355 Q N -0.430 118.871 119.800 -0.831 0.000 2.170 355 Q HA -0.233 4.106 4.340 -0.001 0.000 0.203 355 Q C 2.194 177.953 176.000 -0.403 0.000 0.976 355 Q CA 1.652 56.848 55.803 -1.011 0.000 0.858 355 Q CB -0.127 27.643 28.738 -1.612 0.000 0.907 355 Q HN 0.560 nan 8.270 nan 0.000 0.433 356 L N 0.516 121.515 121.223 -0.374 0.000 2.017 356 L HA -0.173 4.167 4.340 -0.001 0.000 0.208 356 L C 2.097 178.897 176.870 -0.117 0.000 1.073 356 L CA 1.620 56.302 54.840 -0.264 0.000 0.745 356 L CB -0.775 41.075 42.059 -0.348 0.000 0.894 356 L HN 0.394 nan 8.230 nan 0.000 0.432 357 L N -0.709 120.445 121.223 -0.115 0.000 2.072 357 L HA -0.113 4.226 4.340 -0.001 0.000 0.205 357 L C 2.353 179.258 176.870 0.058 0.000 1.079 357 L CA 1.704 56.523 54.840 -0.034 0.000 0.752 357 L CB -0.776 41.249 42.059 -0.055 0.000 0.906 357 L HN 0.180 nan 8.230 nan 0.000 0.436 358 K N -1.360 119.104 120.400 0.106 0.000 2.076 358 K HA -0.109 4.210 4.320 -0.001 0.000 0.204 358 K C 1.969 178.841 176.600 0.455 0.000 1.051 358 K CA 1.366 57.812 56.287 0.266 0.000 0.949 358 K CB -0.581 32.124 32.500 0.342 0.000 0.726 358 K HN 0.377 nan 8.250 nan 0.000 0.443 359 W N 0.263 121.653 121.300 0.150 0.000 2.704 359 W HA 0.198 4.857 4.660 -0.002 0.000 0.266 359 W C 1.165 177.854 176.519 0.284 0.000 1.266 359 W CA 0.813 58.323 57.345 0.275 0.000 1.377 359 W CB -0.433 29.273 29.460 0.410 0.000 1.082 359 W HN 0.423 nan 8.180 nan 0.000 0.608 360 G N -0.862 108.164 108.800 0.377 0.000 2.148 360 G HA2 -0.303 3.656 3.960 -0.001 0.000 0.254 360 G HA3 -0.303 3.656 3.960 -0.001 0.000 0.254 360 G C -0.457 174.613 174.900 0.283 0.000 0.981 360 G CA 0.239 45.476 45.100 0.227 0.000 0.670 360 G HN 0.262 nan 8.290 nan 0.000 0.528 361 W N -0.715 120.685 121.300 0.168 0.000 3.479 361 W HA 0.695 5.355 4.660 -0.001 0.000 0.304 361 W C -0.993 175.591 176.519 0.109 0.000 1.243 361 W CA -1.090 56.322 57.345 0.111 0.000 1.202 361 W CB 0.938 30.494 29.460 0.159 0.000 1.346 361 W HN 0.177 nan 8.180 nan 0.000 0.539 362 M N 4.319 123.323 119.600 -0.993 0.000 2.683 362 M HA 0.297 4.776 4.480 -0.001 0.000 0.274 362 M C -0.466 174.835 176.300 -1.666 0.000 1.272 362 M CA -0.864 53.848 55.300 -0.979 0.000 0.833 362 M CB 1.644 33.889 32.600 -0.592 0.000 1.708 362 M HN 0.423 nan 8.290 nan 0.000 0.463 363 H N 0.249 118.737 119.070 -0.970 0.000 2.707 363 H HA 0.088 4.644 4.556 -0.001 0.000 0.359 363 H C 0.529 175.635 175.328 -0.370 0.000 1.113 363 H CA 0.782 56.515 56.048 -0.525 0.000 1.422 363 H CB 0.722 30.423 29.762 -0.103 0.000 1.443 363 H HN 0.846 nan 8.280 nan 0.000 0.591 364 H N 3.293 121.842 119.070 -0.869 0.000 2.325 364 H HA -0.195 4.361 4.556 -0.001 0.000 0.293 364 H C 1.739 176.823 175.328 -0.407 0.000 1.106 364 H CA 2.453 58.145 56.048 -0.595 0.000 1.247 364 H CB 0.231 29.618 29.762 -0.625 0.000 1.359 364 H HN 0.442 nan 8.280 nan 0.000 0.488 365 L N -0.016 121.091 121.223 -0.195 0.000 2.201 365 L HA 0.034 4.373 4.340 -0.001 0.000 0.212 365 L C 2.642 179.404 176.870 -0.180 0.000 1.105 365 L CA 1.576 56.290 54.840 -0.210 0.000 0.775 365 L CB -1.545 40.596 42.059 0.138 0.000 0.913 365 L HN 0.479 nan 8.230 nan 0.000 0.440 366 A N -0.628 122.115 122.820 -0.128 0.000 1.929 366 A HA -0.165 4.154 4.320 -0.001 0.000 0.216 366 A C 2.447 179.860 177.584 -0.284 0.000 1.176 366 A CA 1.040 52.926 52.037 -0.251 0.000 0.628 366 A CB -0.304 18.483 19.000 -0.355 0.000 0.816 366 A HN 0.334 nan 8.150 nan 0.000 0.444 367 R N -1.231 119.093 120.500 -0.293 0.000 2.081 367 R HA -0.101 4.238 4.340 -0.001 0.000 0.235 367 R C 2.149 178.303 176.300 -0.243 0.000 1.131 367 R CA 1.384 57.370 56.100 -0.190 0.000 0.960 367 R CB -0.657 29.513 30.300 -0.218 0.000 0.856 367 R HN 0.703 nan 8.270 nan 0.000 0.436 368 H N -0.017 118.709 119.070 -0.573 0.000 2.265 368 H HA -0.210 4.346 4.556 -0.001 0.000 0.295 368 H C 2.389 177.330 175.328 -0.645 0.000 1.084 368 H CA 1.659 57.298 56.048 -0.682 0.000 1.261 368 H CB -0.054 29.176 29.762 -0.886 0.000 1.360 368 H HN 0.281 nan 8.280 nan 0.000 0.487 369 C N 0.342 119.305 119.300 -0.562 0.000 2.398 369 C HA -0.165 4.294 4.460 -0.001 0.000 0.276 369 C C 3.046 178.016 174.990 -0.034 0.000 1.222 369 C CA 1.424 60.223 59.018 -0.366 0.000 1.746 369 C CB -1.012 26.659 27.740 -0.115 0.000 2.039 369 C HN 0.581 nan 8.230 nan 0.000 0.470 370 V N -0.059 119.865 119.914 0.016 0.000 2.591 370 V HA 0.062 4.181 4.120 -0.001 0.000 0.249 370 V C 2.422 178.742 176.094 0.376 0.000 1.053 370 V CA 1.943 64.435 62.300 0.321 0.000 1.068 370 V CB -1.446 30.589 31.823 0.354 0.000 0.689 370 V HN 0.420 nan 8.190 nan 0.000 0.462 371 A N -0.349 122.452 122.820 -0.031 0.000 1.898 371 A HA -0.203 4.116 4.320 -0.001 0.000 0.216 371 A C 2.442 179.929 177.584 -0.162 0.000 1.181 371 A CA 1.892 53.682 52.037 -0.412 0.000 0.620 371 A CB -1.264 17.050 19.000 -1.143 0.000 0.819 371 A HN 0.687 nan 8.150 nan 0.000 0.442 372 C N -1.589 117.665 119.300 -0.077 0.000 2.442 372 C HA -0.113 4.346 4.460 -0.001 0.000 0.279 372 C C 2.398 177.469 174.990 0.134 0.000 1.237 372 C CA 1.253 60.312 59.018 0.069 0.000 1.722 372 C CB -1.554 26.319 27.740 0.223 0.000 2.056 372 C HN 0.647 nan 8.230 nan 0.000 0.469 373 F N 1.015 121.003 119.950 0.063 0.000 2.063 373 F HA -0.171 4.355 4.527 -0.001 0.000 0.298 373 F C 2.129 177.927 175.800 -0.003 0.000 1.109 373 F CA 2.230 60.278 58.000 0.080 0.000 1.212 373 F CB -0.539 38.547 39.000 0.144 0.000 0.973 373 F HN 0.229 nan 8.300 nan 0.000 0.480 374 L N 0.122 121.374 121.223 0.048 0.000 2.131 374 L HA -0.121 4.218 4.340 -0.001 0.000 0.210 374 L C 1.979 178.678 176.870 -0.286 0.000 1.092 374 L CA 2.355 56.969 54.840 -0.377 0.000 0.759 374 L CB -1.416 39.947 42.059 -1.160 0.000 0.903 374 L HN 0.542 nan 8.230 nan 0.000 0.435 375 T N -1.349 113.103 114.554 -0.171 0.000 3.074 375 T HA -0.002 4.348 4.350 -0.001 0.000 0.182 375 T C 1.646 176.429 174.700 0.138 0.000 0.747 375 T CA 0.377 62.368 62.100 -0.181 0.000 1.884 375 T CB -0.328 68.369 68.868 -0.285 0.000 2.388 375 T HN 0.300 nan 8.240 nan 0.000 0.421 376 R N 1.277 121.928 120.500 0.251 0.000 2.276 376 R HA 0.426 4.765 4.340 -0.001 0.000 0.203 376 R C 2.307 178.768 176.300 0.268 0.000 1.017 376 R CA 1.018 57.360 56.100 0.403 0.000 1.010 376 R CB -0.905 29.629 30.300 0.389 0.000 0.900 376 R HN 0.539 nan 8.270 nan 0.000 0.469 377 G N -0.085 108.816 108.800 0.169 0.000 2.411 377 G HA2 -0.079 3.880 3.960 -0.001 0.000 0.213 377 G HA3 -0.079 3.880 3.960 -0.001 0.000 0.213 377 G C 0.822 175.741 174.900 0.031 0.000 1.166 377 G CA 0.849 46.030 45.100 0.134 0.000 0.802 377 G HN 0.303 nan 8.290 nan 0.000 0.533 378 D N -1.047 119.271 120.400 -0.137 0.000 2.690 378 D HA 0.100 4.739 4.640 -0.001 0.000 0.235 378 D C 2.430 178.599 176.300 -0.218 0.000 1.327 378 D CA -0.184 53.633 54.000 -0.304 0.000 1.264 378 D CB 0.186 40.436 40.800 -0.917 0.000 1.574 378 D HN 0.150 nan 8.370 nan 0.000 0.421 379 L N 0.222 121.292 121.223 -0.254 0.000 2.341 379 L HA 0.144 4.483 4.340 -0.001 0.000 0.214 379 L C 0.539 177.499 176.870 0.151 0.000 1.115 379 L CA 0.203 55.004 54.840 -0.066 0.000 0.820 379 L CB 0.085 42.092 42.059 -0.086 0.000 0.944 379 L HN 0.012 nan 8.230 nan 0.000 0.452 380 F N 0.459 120.405 119.950 -0.005 0.000 3.074 380 F HA -0.246 4.280 4.527 -0.001 0.000 0.289 380 F C 0.311 176.228 175.800 0.195 0.000 0.863 380 F CA -0.080 58.031 58.000 0.184 0.000 1.121 380 F CB -0.902 38.178 39.000 0.134 0.000 1.169 380 F HN -0.118 nan 8.300 nan 0.000 0.570 381 I N 1.096 121.637 120.570 -0.049 0.000 2.472 381 I HA 0.095 4.265 4.170 -0.001 0.000 0.290 381 I C 1.422 177.289 176.117 -0.418 0.000 1.016 381 I CA -0.276 60.935 61.300 -0.148 0.000 1.348 381 I CB 0.421 38.291 38.000 -0.218 0.000 1.417 381 I HN 0.031 nan 8.210 nan 0.000 0.521 382 H N 6.991 125.790 119.070 -0.451 0.000 3.140 382 H HA -0.144 4.412 4.556 -0.001 0.000 0.316 382 H C 0.904 175.634 175.328 -0.996 0.000 0.986 382 H CA 0.531 56.053 56.048 -0.877 0.000 1.397 382 H CB 0.613 30.056 29.762 -0.532 0.000 1.377 382 H HN 0.651 nan 8.280 nan 0.000 0.585 383 W N 4.554 125.241 121.300 -1.021 0.000 2.525 383 W HA -0.062 4.597 4.660 -0.001 0.000 0.259 383 W C 0.860 177.027 176.519 -0.585 0.000 1.253 383 W CA 0.446 57.375 57.345 -0.692 0.000 1.262 383 W CB -0.336 28.837 29.460 -0.477 0.000 1.122 383 W HN 0.619 nan 8.180 nan 0.000 0.607 384 E N 0.935 120.639 120.200 -0.827 0.000 2.268 384 E HA -0.199 4.151 4.350 -0.001 0.000 0.195 384 E C 2.038 178.227 176.600 -0.685 0.000 0.995 384 E CA 1.248 57.065 56.400 -0.971 0.000 0.836 384 E CB -0.042 28.906 29.700 -1.253 0.000 0.763 384 E HN 0.282 nan 8.360 nan 0.000 0.491 385 Q N -0.438 118.995 119.800 -0.612 0.000 2.137 385 Q HA -0.021 4.318 4.340 -0.001 0.000 0.198 385 Q C 2.101 177.784 176.000 -0.528 0.000 0.960 385 Q CA 1.318 56.849 55.803 -0.452 0.000 0.847 385 Q CB -0.194 28.347 28.738 -0.329 0.000 0.915 385 Q HN 0.321 nan 8.270 nan 0.000 0.448 386 G N 0.419 108.660 108.800 -0.931 0.000 2.402 386 G HA2 -0.266 3.693 3.960 -0.001 0.000 0.216 386 G HA3 -0.266 3.693 3.960 -0.001 0.000 0.216 386 G C 1.484 175.496 174.900 -1.479 0.000 1.162 386 G CA 0.416 44.719 45.100 -1.329 0.000 0.777 386 G HN 0.114 nan 8.290 nan 0.000 0.539 387 R N 1.068 120.496 120.500 -1.787 0.000 2.105 387 R HA -0.091 4.248 4.340 -0.001 0.000 0.239 387 R C 1.854 177.930 176.300 -0.374 0.000 1.135 387 R CA 1.786 57.177 56.100 -1.182 0.000 0.967 387 R CB -0.717 29.187 30.300 -0.659 0.000 0.861 387 R HN 0.218 nan 8.270 nan 0.000 0.442 388 D N -0.130 120.083 120.400 -0.313 0.000 2.097 388 D HA -0.103 4.537 4.640 -0.001 0.000 0.197 388 D C 2.030 178.347 176.300 0.028 0.000 0.984 388 D CA 1.147 55.086 54.000 -0.102 0.000 0.826 388 D CB -0.184 40.544 40.800 -0.120 0.000 0.973 388 D HN 0.033 nan 8.370 nan 0.000 0.460 389 V N 0.812 120.768 119.914 0.069 0.000 2.332 389 V HA -0.238 3.881 4.120 -0.001 0.000 0.248 389 V C 2.198 178.505 176.094 0.354 0.000 1.055 389 V CA 1.255 63.689 62.300 0.224 0.000 1.038 389 V CB -0.493 31.554 31.823 0.374 0.000 0.651 389 V HN 0.074 nan 8.190 nan 0.000 0.450 390 F N 0.437 120.472 119.950 0.142 0.000 2.234 390 F HA -0.080 4.447 4.527 -0.001 0.000 0.299 390 F C 2.457 178.334 175.800 0.128 0.000 1.087 390 F CA 1.393 59.509 58.000 0.194 0.000 1.340 390 F CB -0.630 38.621 39.000 0.417 0.000 1.031 390 F HN 0.261 nan 8.300 nan 0.000 0.500 391 E N 0.590 120.963 120.200 0.288 0.000 2.153 391 E HA -0.227 4.122 4.350 -0.001 0.000 0.194 391 E C 2.244 178.940 176.600 0.159 0.000 0.988 391 E CA 1.437 57.957 56.400 0.200 0.000 0.811 391 E CB 0.065 29.860 29.700 0.159 0.000 0.746 391 E HN 0.483 nan 8.360 nan 0.000 0.466 392 R N -0.834 119.749 120.500 0.139 0.000 2.175 392 R HA 0.044 4.383 4.340 -0.001 0.000 0.202 392 R C 1.988 178.340 176.300 0.086 0.000 1.018 392 R CA 0.112 56.278 56.100 0.110 0.000 1.029 392 R CB -0.147 30.207 30.300 0.089 0.000 0.959 392 R HN 0.070 nan 8.270 nan 0.000 0.480 393 L N 1.652 122.920 121.223 0.076 0.000 2.179 393 L HA 0.183 4.523 4.340 -0.001 0.000 0.208 393 L C 0.976 177.851 176.870 0.007 0.000 1.096 393 L CA 0.926 55.784 54.840 0.029 0.000 0.779 393 L CB -0.408 41.648 42.059 -0.005 0.000 0.922 393 L HN 0.105 nan 8.230 nan 0.000 0.443 394 L N 0.685 121.902 121.223 -0.009 0.000 2.455 394 L HA 0.009 4.348 4.340 -0.001 0.000 0.272 394 L C 1.601 178.488 176.870 0.028 0.000 1.174 394 L CA 0.015 54.838 54.840 -0.028 0.000 0.869 394 L CB 0.605 42.633 42.059 -0.051 0.000 1.130 394 L HN 0.200 nan 8.230 nan 0.000 0.474 395 I N -1.178 119.410 120.570 0.029 0.000 3.428 395 I HA -0.034 4.135 4.170 -0.001 0.000 0.286 395 I C 0.650 176.703 176.117 -0.107 0.000 1.287 395 I CA 0.426 61.711 61.300 -0.024 0.000 1.396 395 I CB -0.209 37.727 38.000 -0.105 0.000 1.062 395 I HN 0.634 nan 8.210 nan 0.000 0.471 396 D N 0.305 120.671 120.400 -0.056 0.000 2.424 396 D HA 0.059 4.698 4.640 -0.001 0.000 0.220 396 D C 0.727 177.015 176.300 -0.019 0.000 1.150 396 D CA -0.321 53.641 54.000 -0.064 0.000 0.831 396 D CB -0.165 40.655 40.800 0.034 0.000 0.981 396 D HN 0.121 nan 8.370 nan 0.000 0.500 397 S N 0.889 116.588 115.700 -0.001 0.000 2.998 397 S HA -0.073 4.396 4.470 -0.001 0.000 0.348 397 S C -0.334 174.300 174.600 0.057 0.000 1.210 397 S CA 0.027 58.262 58.200 0.058 0.000 1.118 397 S CB -0.241 63.010 63.200 0.084 0.000 0.832 397 S HN 0.326 nan 8.310 nan 0.000 0.516 398 D N 4.612 125.084 120.400 0.120 0.000 2.505 398 D HA 0.083 4.722 4.640 -0.001 0.000 0.250 398 D C 0.695 177.115 176.300 0.201 0.000 1.164 398 D CA -0.669 53.434 54.000 0.172 0.000 0.870 398 D CB 0.516 41.439 40.800 0.205 0.000 1.160 398 D HN 0.769 nan 8.370 nan 0.000 0.549 399 W N 4.943 126.286 121.300 0.071 0.000 2.290 399 W HA -0.352 4.308 4.660 -0.001 0.000 0.328 399 W C 1.794 178.380 176.519 0.112 0.000 1.272 399 W CA 2.956 60.358 57.345 0.094 0.000 1.262 399 W CB -0.248 29.262 29.460 0.084 0.000 1.151 399 W HN 0.557 nan 8.180 nan 0.000 0.473 400 A N 0.094 122.918 122.820 0.006 0.000 1.858 400 A HA -0.192 4.127 4.320 -0.001 0.000 0.216 400 A C 2.063 179.564 177.584 -0.139 0.000 1.190 400 A CA 2.332 54.190 52.037 -0.297 0.000 0.617 400 A CB -1.133 17.512 19.000 -0.592 0.000 0.827 400 A HN 0.420 nan 8.150 nan 0.000 0.443 401 I N -0.409 120.117 120.570 -0.073 0.000 2.202 401 I HA -0.239 3.930 4.170 -0.001 0.000 0.242 401 I C 2.429 178.423 176.117 -0.204 0.000 1.091 401 I CA 1.705 62.925 61.300 -0.134 0.000 1.368 401 I CB -0.525 37.501 38.000 0.043 0.000 1.058 401 I HN 0.394 nan 8.210 nan 0.000 0.410 402 N N 1.292 119.975 118.700 -0.028 0.000 2.166 402 N HA -0.189 4.551 4.740 -0.001 0.000 0.186 402 N C 1.596 177.176 175.510 0.117 0.000 1.019 402 N CA 1.516 54.628 53.050 0.104 0.000 0.856 402 N CB -0.134 38.484 38.487 0.219 0.000 0.993 402 N HN 0.241 nan 8.380 nan 0.000 0.426 403 N N -0.520 118.155 118.700 -0.041 0.000 2.216 403 N HA -0.030 4.710 4.740 -0.001 0.000 0.183 403 N C 1.667 177.050 175.510 -0.212 0.000 1.017 403 N CA 1.141 54.123 53.050 -0.113 0.000 0.861 403 N CB -0.585 37.690 38.487 -0.354 0.000 0.986 403 N HN 0.359 nan 8.380 nan 0.000 0.428 404 G N 1.215 109.975 108.800 -0.067 0.000 2.433 404 G HA2 -0.255 3.704 3.960 -0.001 0.000 0.216 404 G HA3 -0.255 3.704 3.960 -0.001 0.000 0.216 404 G C 1.525 176.327 174.900 -0.165 0.000 1.186 404 G CA 0.804 45.959 45.100 0.091 0.000 0.779 404 G HN 0.343 nan 8.290 nan 0.000 0.543 405 N N -0.590 117.793 118.700 -0.527 0.000 2.223 405 N HA -0.100 4.639 4.740 -0.001 0.000 0.185 405 N C 1.808 177.114 175.510 -0.341 0.000 1.016 405 N CA 1.061 53.846 53.050 -0.442 0.000 0.863 405 N CB -0.182 37.992 38.487 -0.521 0.000 0.983 405 N HN 0.583 nan 8.380 nan 0.000 0.429 406 W N 0.705 121.836 121.300 -0.281 0.000 2.409 406 W HA 0.066 4.725 4.660 -0.001 0.000 0.299 406 W C 2.115 178.328 176.519 -0.510 0.000 1.203 406 W CA 0.628 57.777 57.345 -0.327 0.000 1.298 406 W CB -0.111 29.227 29.460 -0.204 0.000 1.127 406 W HN 0.043 nan 8.180 nan 0.000 0.528 407 M N -1.230 118.091 119.600 -0.465 0.000 2.229 407 M HA -0.221 4.259 4.480 -0.001 0.000 0.264 407 M C 2.015 178.243 176.300 -0.121 0.000 1.063 407 M CA 1.292 56.205 55.300 -0.645 0.000 1.114 407 M CB -0.713 31.526 32.600 -0.602 0.000 1.387 407 M HN 0.223 nan 8.290 nan 0.000 0.420 408 W N 1.365 122.625 121.300 -0.067 0.000 2.380 408 W HA -0.173 4.487 4.660 -0.001 0.000 0.317 408 W C 1.750 178.207 176.519 -0.104 0.000 1.196 408 W CA 1.102 58.473 57.345 0.045 0.000 1.307 408 W CB -0.468 28.997 29.460 0.008 0.000 1.157 408 W HN 0.086 nan 8.180 nan 0.000 0.483 409 L N 1.641 122.904 121.223 0.068 0.000 2.265 409 L HA -0.172 4.167 4.340 -0.001 0.000 0.215 409 L C 2.404 179.263 176.870 -0.019 0.000 1.117 409 L CA 2.190 56.955 54.840 -0.125 0.000 0.782 409 L CB -1.751 40.007 42.059 -0.501 0.000 0.914 409 L HN 0.140 nan 8.230 nan 0.000 0.441 410 S N -2.930 112.755 115.700 -0.026 0.000 2.593 410 S HA -0.051 4.418 4.470 -0.001 0.000 0.217 410 S C 1.216 175.945 174.600 0.215 0.000 0.966 410 S CA 0.157 58.391 58.200 0.056 0.000 0.914 410 S CB -0.546 62.592 63.200 -0.103 0.000 0.776 410 S HN 0.416 nan 8.310 nan 0.000 0.523 411 C N 1.496 120.896 119.300 0.168 0.000 4.454 411 C HA -0.154 4.305 4.460 -0.001 0.000 0.298 411 C C 1.764 176.856 174.990 0.170 0.000 1.384 411 C CA 0.635 59.767 59.018 0.189 0.000 2.002 411 C CB -3.133 24.809 27.740 0.335 0.000 1.249 411 C HN 0.713 nan 8.230 nan 0.000 0.783 412 S N -1.253 114.457 115.700 0.017 0.000 2.486 412 S HA 0.232 4.702 4.470 -0.001 0.000 0.220 412 S C 0.569 175.102 174.600 -0.112 0.000 1.011 412 S CA 1.036 59.235 58.200 -0.001 0.000 0.921 412 S CB 0.465 63.599 63.200 -0.110 0.000 0.785 412 S HN 0.846 nan 8.310 nan 0.000 0.517 413 S N -1.659 113.870 115.700 -0.285 0.000 2.567 413 S HA 0.541 5.010 4.470 -0.001 0.000 0.270 413 S C -0.840 173.393 174.600 -0.612 0.000 1.152 413 S CA -0.574 57.340 58.200 -0.476 0.000 0.835 413 S CB 0.226 63.056 63.200 -0.617 0.000 1.115 413 S HN 0.134 nan 8.310 nan 0.000 0.459 414 F N 0.179 119.880 119.950 -0.416 0.000 2.540 414 F HA -0.194 4.333 4.527 -0.001 0.000 0.722 414 F C 0.015 175.235 175.800 -0.968 0.000 0.486 414 F CA 1.636 59.360 58.000 -0.461 0.000 0.756 414 F CB -1.286 37.513 39.000 -0.334 0.000 1.620 414 F HN 0.607 nan 8.300 nan 0.000 0.271 415 F N 0.553 119.735 119.950 -1.279 0.000 2.427 415 F HA 0.568 5.094 4.527 -0.001 0.000 0.346 415 F C -0.007 175.276 175.800 -0.860 0.000 1.120 415 F CA -0.871 56.494 58.000 -1.059 0.000 1.033 415 F CB 0.855 39.069 39.000 -1.310 0.000 1.126 415 F HN 0.127 nan 8.300 nan 0.000 0.462 416 Y N 2.947 122.818 120.300 -0.716 0.000 2.682 416 Y HA 0.265 4.815 4.550 -0.001 0.000 0.251 416 Y C 0.141 175.715 175.900 -0.543 0.000 1.172 416 Y CA -0.375 57.525 58.100 -0.334 0.000 1.186 416 Y CB 0.127 38.588 38.460 0.001 0.000 1.216 416 Y HN 0.476 nan 8.280 nan 0.000 0.540 417 Q N 1.421 120.589 119.800 -1.053 0.000 3.006 417 Q HA 0.138 4.478 4.340 -0.001 0.000 0.260 417 Q C 0.439 176.228 176.000 -0.353 0.000 1.356 417 Q CA -0.438 54.947 55.803 -0.697 0.000 1.070 417 Q CB -0.299 28.102 28.738 -0.561 0.000 1.507 417 Q HN 0.635 nan 8.270 nan 0.000 0.568 418 F N -0.251 119.570 119.950 -0.215 0.000 2.722 418 F HA -0.049 4.477 4.527 -0.001 0.000 0.298 418 F C 0.852 176.631 175.800 -0.035 0.000 1.175 418 F CA 0.277 58.233 58.000 -0.074 0.000 1.462 418 F CB -0.327 38.580 39.000 -0.156 0.000 1.111 418 F HN 0.279 nan 8.300 nan 0.000 0.592 419 N N 0.487 119.023 118.700 -0.273 0.000 2.336 419 N HA -0.019 4.720 4.740 -0.001 0.000 0.189 419 N C 0.529 176.014 175.510 -0.043 0.000 1.113 419 N CA -0.056 52.923 53.050 -0.118 0.000 0.858 419 N CB -0.256 38.093 38.487 -0.232 0.000 0.970 419 N HN 0.400 nan 8.380 nan 0.000 0.471 420 R N 1.388 121.887 120.500 -0.002 0.000 2.825 420 R HA 0.325 4.664 4.340 -0.001 0.000 0.261 420 R C -0.991 175.286 176.300 -0.039 0.000 1.341 420 R CA -0.311 55.788 56.100 -0.001 0.000 1.353 420 R CB -0.316 30.035 30.300 0.085 0.000 1.191 420 R HN 0.171 nan 8.270 nan 0.000 0.590 421 I N 3.951 124.508 120.570 -0.021 0.000 2.377 421 I HA 0.213 4.383 4.170 -0.001 0.000 0.293 421 I C -0.334 175.790 176.117 0.011 0.000 0.987 421 I CA -1.070 60.248 61.300 0.030 0.000 1.185 421 I CB 1.117 39.199 38.000 0.136 0.000 1.341 421 I HN 0.349 nan 8.210 nan 0.000 0.455 422 Y N 3.798 124.143 120.300 0.076 0.000 2.511 422 Y HA 0.055 4.604 4.550 -0.001 0.000 0.332 422 Y C 1.060 177.012 175.900 0.086 0.000 1.177 422 Y CA 0.433 58.535 58.100 0.004 0.000 1.422 422 Y CB 0.751 39.123 38.460 -0.148 0.000 1.271 422 Y HN 0.470 nan 8.280 nan 0.000 0.550 423 S N 4.555 120.400 115.700 0.241 0.000 2.452 423 S HA 0.276 4.745 4.470 -0.001 0.000 0.284 423 S C -1.799 172.828 174.600 0.046 0.000 1.171 423 S CA -1.679 56.550 58.200 0.049 0.000 1.064 423 S CB 0.843 64.136 63.200 0.154 0.000 0.967 423 S HN 0.413 nan 8.310 nan 0.000 0.484 424 P HA -0.011 nan 4.420 nan 0.000 0.220 424 P C 0.863 178.348 177.300 0.309 0.000 1.148 424 P CA 0.958 64.127 63.100 0.115 0.000 0.803 424 P CB 0.126 31.651 31.700 -0.292 0.000 0.782 425 I N -1.033 119.675 120.570 0.229 0.000 2.364 425 I HA -0.128 4.042 4.170 -0.001 0.000 0.241 425 I C 2.339 178.447 176.117 -0.016 0.000 1.082 425 I CA 1.630 63.099 61.300 0.283 0.000 1.401 425 I CB -0.683 37.527 38.000 0.350 0.000 1.126 425 I HN 0.001 nan 8.210 nan 0.000 0.429 426 S N 0.651 116.330 115.700 -0.035 0.000 2.406 426 S HA -0.084 4.385 4.470 -0.001 0.000 0.224 426 S C 2.057 176.496 174.600 -0.268 0.000 1.030 426 S CA 0.211 58.311 58.200 -0.167 0.000 0.958 426 S CB -0.901 62.274 63.200 -0.042 0.000 0.811 426 S HN 0.324 nan 8.310 nan 0.000 0.489 427 F N 3.509 123.294 119.950 -0.275 0.000 2.087 427 F HA -0.050 4.476 4.527 -0.001 0.000 0.299 427 F C 2.437 177.901 175.800 -0.560 0.000 1.100 427 F CA 1.514 59.353 58.000 -0.267 0.000 1.226 427 F CB -1.074 37.892 39.000 -0.056 0.000 0.983 427 F HN 0.316 nan 8.300 nan 0.000 0.479 428 G N -0.395 107.701 108.800 -1.174 0.000 2.442 428 G HA2 -0.282 3.677 3.960 -0.001 0.000 0.219 428 G HA3 -0.282 3.677 3.960 -0.001 0.000 0.219 428 G C 1.743 176.129 174.900 -0.857 0.000 1.141 428 G CA 0.899 45.052 45.100 -1.577 0.000 0.763 428 G HN 0.359 nan 8.290 nan 0.000 0.554 429 K N 0.306 120.081 120.400 -1.041 0.000 2.113 429 K HA -0.124 4.195 4.320 -0.001 0.000 0.208 429 K C 2.380 178.732 176.600 -0.413 0.000 1.047 429 K CA 1.283 57.181 56.287 -0.649 0.000 0.928 429 K CB -0.146 31.999 32.500 -0.591 0.000 0.716 429 K HN 0.300 nan 8.250 nan 0.000 0.446 430 K N 0.147 120.235 120.400 -0.519 0.000 2.127 430 K HA -0.232 4.087 4.320 -0.001 0.000 0.208 430 K C 1.291 177.504 176.600 -0.644 0.000 1.047 430 K CA 1.845 57.761 56.287 -0.618 0.000 0.927 430 K CB 0.000 31.960 32.500 -0.901 0.000 0.716 430 K HN 0.229 nan 8.250 nan 0.000 0.450 431 Y N -1.729 118.353 120.300 -0.363 0.000 2.607 431 Y HA 0.202 4.751 4.550 -0.001 0.000 0.276 431 Y C 0.479 176.323 175.900 -0.093 0.000 1.117 431 Y CA -0.376 57.597 58.100 -0.211 0.000 1.273 431 Y CB 0.586 38.920 38.460 -0.210 0.000 1.282 431 Y HN -0.042 nan 8.280 nan 0.000 0.514 432 D N 0.959 121.423 120.400 0.107 0.000 2.613 432 D HA 0.207 4.847 4.640 -0.001 0.000 0.312 432 D C -2.084 174.361 176.300 0.241 0.000 1.202 432 D CA -2.365 51.750 54.000 0.193 0.000 0.825 432 D CB 0.840 41.826 40.800 0.310 0.000 1.113 432 D HN -0.010 nan 8.370 nan 0.000 0.502 433 P HA -0.131 nan 4.420 nan 0.000 0.218 433 P C 0.843 178.262 177.300 0.198 0.000 1.148 433 P CA 0.876 64.059 63.100 0.138 0.000 0.822 433 P CB 0.701 32.413 31.700 0.021 0.000 0.784 434 D N -0.480 120.007 120.400 0.145 0.000 2.183 434 D HA -0.021 4.619 4.640 -0.001 0.000 0.203 434 D C 1.527 177.888 176.300 0.101 0.000 0.969 434 D CA 1.733 55.798 54.000 0.108 0.000 0.842 434 D CB -0.381 40.472 40.800 0.088 0.000 0.957 434 D HN 0.275 nan 8.370 nan 0.000 0.484 435 G N 1.313 110.199 108.800 0.143 0.000 2.140 435 G HA2 -0.293 3.667 3.960 -0.001 0.000 0.211 435 G HA3 -0.293 3.667 3.960 -0.001 0.000 0.211 435 G C 0.969 175.942 174.900 0.121 0.000 1.013 435 G CA 0.495 45.626 45.100 0.051 0.000 0.705 435 G HN 0.285 nan 8.290 nan 0.000 0.508 436 K N -1.165 119.356 120.400 0.202 0.000 2.032 436 K HA -0.165 4.154 4.320 -0.001 0.000 0.209 436 K C 1.989 178.757 176.600 0.279 0.000 1.048 436 K CA 1.721 58.151 56.287 0.239 0.000 0.927 436 K CB -0.210 32.461 32.500 0.285 0.000 0.712 436 K HN 0.483 nan 8.250 nan 0.000 0.441 437 Y N 1.882 122.325 120.300 0.239 0.000 2.053 437 Y HA -0.261 4.288 4.550 -0.001 0.000 0.277 437 Y C 2.043 177.963 175.900 0.034 0.000 1.159 437 Y CA 1.551 59.712 58.100 0.102 0.000 1.125 437 Y CB -0.293 38.358 38.460 0.319 0.000 0.969 437 Y HN -0.051 nan 8.280 nan 0.000 0.492 438 I N 0.090 120.808 120.570 0.247 0.000 2.194 438 I HA -0.389 3.781 4.170 -0.001 0.000 0.246 438 I C 2.515 178.586 176.117 -0.077 0.000 1.093 438 I CA 1.787 63.124 61.300 0.062 0.000 1.355 438 I CB -0.416 37.586 38.000 0.003 0.000 1.046 438 I HN 0.266 nan 8.210 nan 0.000 0.413 439 R N -0.618 119.849 120.500 -0.055 0.000 2.081 439 R HA -0.240 4.100 4.340 -0.001 0.000 0.235 439 R C 2.345 178.570 176.300 -0.125 0.000 1.131 439 R CA 1.794 57.852 56.100 -0.070 0.000 0.960 439 R CB -0.648 29.645 30.300 -0.012 0.000 0.856 439 R HN 0.450 nan 8.270 nan 0.000 0.436 440 H N 0.039 118.914 119.070 -0.324 0.000 2.270 440 H HA -0.114 4.441 4.556 -0.001 0.000 0.299 440 H C 1.479 176.435 175.328 -0.620 0.000 1.077 440 H CA 1.932 57.658 56.048 -0.538 0.000 1.294 440 H CB -0.182 28.981 29.762 -0.998 0.000 1.371 440 H HN 0.074 nan 8.280 nan 0.000 0.491 441 F N -0.223 119.365 119.950 -0.605 0.000 2.456 441 F HA 0.152 4.678 4.527 -0.001 0.000 0.298 441 F C 0.768 176.355 175.800 -0.356 0.000 1.104 441 F CA 0.520 58.172 58.000 -0.580 0.000 1.435 441 F CB 0.245 38.847 39.000 -0.663 0.000 1.078 441 F HN 0.074 nan 8.300 nan 0.000 0.546 442 L N 2.287 123.431 121.223 -0.131 0.000 2.581 442 L HA 0.242 4.581 4.340 -0.001 0.000 0.241 442 L C -1.515 175.292 176.870 -0.106 0.000 1.265 442 L CA -1.253 53.536 54.840 -0.086 0.000 0.954 442 L CB 0.713 42.729 42.059 -0.072 0.000 1.269 442 L HN -0.179 nan 8.230 nan 0.000 0.475 443 P HA -0.192 nan 4.420 nan 0.000 0.222 443 P C 1.465 178.729 177.300 -0.060 0.000 1.142 443 P CA 0.913 63.959 63.100 -0.091 0.000 0.788 443 P CB 0.569 32.214 31.700 -0.092 0.000 0.767 444 V N -0.757 119.131 119.914 -0.044 0.000 3.241 444 V HA -0.069 4.051 4.120 -0.001 0.000 0.269 444 V C 1.831 177.890 176.094 -0.059 0.000 1.151 444 V CA 1.198 63.484 62.300 -0.023 0.000 1.158 444 V CB -0.866 30.976 31.823 0.031 0.000 0.764 444 V HN 0.026 nan 8.190 nan 0.000 0.508 445 L N -0.530 120.631 121.223 -0.104 0.000 2.808 445 L HA 0.215 4.555 4.340 -0.001 0.000 0.246 445 L C 2.080 178.897 176.870 -0.088 0.000 1.153 445 L CA 0.121 54.881 54.840 -0.133 0.000 0.956 445 L CB -0.272 41.651 42.059 -0.226 0.000 1.270 445 L HN 0.213 nan 8.230 nan 0.000 0.528 446 K N 0.960 121.320 120.400 -0.067 0.000 2.144 446 K HA -0.248 4.071 4.320 -0.001 0.000 0.209 446 K C 0.509 177.092 176.600 -0.028 0.000 1.047 446 K CA 2.005 58.266 56.287 -0.045 0.000 0.927 446 K CB 0.150 32.629 32.500 -0.036 0.000 0.716 446 K HN 0.326 nan 8.250 nan 0.000 0.454 447 D N 0.037 120.420 120.400 -0.028 0.000 2.398 447 D HA 0.013 4.653 4.640 -0.001 0.000 0.210 447 D C 0.042 176.334 176.300 -0.014 0.000 1.094 447 D CA -0.135 53.855 54.000 -0.016 0.000 0.839 447 D CB 0.155 40.947 40.800 -0.013 0.000 0.963 447 D HN 0.151 nan 8.370 nan 0.000 0.506 448 M N 3.270 122.854 119.600 -0.027 0.000 2.246 448 M HA 0.148 4.628 4.480 -0.001 0.000 0.350 448 M C -2.400 173.917 176.300 0.029 0.000 1.406 448 M CA -1.755 53.534 55.300 -0.017 0.000 1.089 448 M CB 0.543 33.115 32.600 -0.047 0.000 1.782 448 M HN -0.266 nan 8.290 nan 0.000 0.457 449 P HA -0.007 nan 4.420 nan 0.000 0.264 449 P C -0.179 177.197 177.300 0.127 0.000 1.193 449 P CA 0.043 63.214 63.100 0.118 0.000 0.763 449 P CB 0.529 32.336 31.700 0.178 0.000 0.810 450 K N 2.666 123.103 120.400 0.063 0.000 2.056 450 K HA -0.281 4.038 4.320 -0.001 0.000 0.225 450 K C 2.103 178.711 176.600 0.014 0.000 1.053 450 K CA 2.344 58.655 56.287 0.041 0.000 0.966 450 K CB -1.300 31.218 32.500 0.029 0.000 0.735 450 K HN 0.540 nan 8.250 nan 0.000 0.455 451 Q N -1.109 118.645 119.800 -0.077 0.000 2.250 451 Q HA -0.267 4.072 4.340 -0.001 0.000 0.215 451 Q C 0.828 176.532 176.000 -0.493 0.000 1.002 451 Q CA 2.274 57.864 55.803 -0.355 0.000 0.910 451 Q CB -0.051 28.321 28.738 -0.611 0.000 0.939 451 Q HN 0.623 nan 8.270 nan 0.000 0.416 452 Y N -2.515 117.758 120.300 -0.045 0.000 2.527 452 Y HA 0.165 4.714 4.550 -0.001 0.000 0.247 452 Y C 1.149 176.993 175.900 -0.094 0.000 1.138 452 Y CA -0.481 57.561 58.100 -0.097 0.000 1.228 452 Y CB 0.087 38.472 38.460 -0.125 0.000 1.252 452 Y HN 0.058 nan 8.280 nan 0.000 0.531 453 I N 0.023 120.635 120.570 0.070 0.000 2.248 453 I HA -0.344 3.825 4.170 -0.001 0.000 0.248 453 I C 1.306 177.355 176.117 -0.114 0.000 1.107 453 I CA 2.067 63.330 61.300 -0.061 0.000 1.373 453 I CB -0.215 37.705 38.000 -0.133 0.000 1.055 453 I HN 0.260 nan 8.210 nan 0.000 0.418 454 Y N 1.000 121.328 120.300 0.047 0.000 2.466 454 Y HA 0.160 4.709 4.550 -0.001 0.000 0.272 454 Y C 0.366 176.323 175.900 0.095 0.000 1.169 454 Y CA 0.130 58.300 58.100 0.118 0.000 1.285 454 Y CB 0.072 38.590 38.460 0.095 0.000 1.078 454 Y HN 0.344 nan 8.280 nan 0.000 0.523 455 E N -1.294 118.896 120.200 -0.015 0.000 3.152 455 E HA 0.098 4.447 4.350 -0.001 0.000 0.320 455 E C -2.730 173.493 176.600 -0.628 0.000 1.108 455 E CA -1.086 54.905 56.400 -0.682 0.000 1.032 455 E CB 0.348 29.506 29.700 -0.903 0.000 1.351 455 E HN 0.048 nan 8.360 nan 0.000 0.391 456 P HA -0.187 nan 4.420 nan 0.000 0.218 456 P C 1.198 178.501 177.300 0.005 0.000 1.148 456 P CA 1.133 64.220 63.100 -0.021 0.000 0.822 456 P CB -0.350 31.373 31.700 0.039 0.000 0.784 457 W N 1.571 122.928 121.300 0.095 0.000 2.480 457 W HA -0.069 4.590 4.660 -0.001 0.000 0.257 457 W C 1.314 177.878 176.519 0.076 0.000 1.235 457 W CA 1.514 58.902 57.345 0.071 0.000 1.218 457 W CB -2.156 27.336 29.460 0.053 0.000 1.131 457 W HN 0.012 nan 8.180 nan 0.000 0.606 458 T N -2.185 112.142 114.554 -0.379 0.000 3.060 458 T HA 0.501 4.850 4.350 -0.001 0.000 0.249 458 T C 0.986 175.678 174.700 -0.013 0.000 1.079 458 T CA 0.096 62.090 62.100 -0.176 0.000 1.013 458 T CB -0.486 68.220 68.868 -0.270 0.000 0.975 458 T HN 0.266 nan 8.240 nan 0.000 0.518 459 A N 2.924 125.637 122.820 -0.180 0.000 2.425 459 A HA 0.566 4.886 4.320 -0.001 0.000 0.249 459 A C -2.451 174.911 177.584 -0.370 0.000 1.084 459 A CA -1.418 50.190 52.037 -0.715 0.000 0.781 459 A CB -0.187 18.337 19.000 -0.794 0.000 1.019 459 A HN 0.262 nan 8.150 nan 0.000 0.490 460 P HA 0.004 nan 4.420 nan 0.000 0.265 460 P C 1.061 178.281 177.300 -0.133 0.000 1.193 460 P CA -0.346 62.660 63.100 -0.156 0.000 0.765 460 P CB 0.449 32.080 31.700 -0.115 0.000 0.823 461 L N 4.307 125.492 121.223 -0.064 0.000 2.137 461 L HA -0.259 4.080 4.340 -0.001 0.000 0.213 461 L C 1.916 178.757 176.870 -0.049 0.000 1.085 461 L CA 2.616 57.431 54.840 -0.042 0.000 0.760 461 L CB -1.508 40.544 42.059 -0.013 0.000 0.893 461 L HN 0.410 nan 8.230 nan 0.000 0.434 462 S N -2.202 113.467 115.700 -0.052 0.000 2.387 462 S HA -0.104 4.365 4.470 -0.001 0.000 0.226 462 S C 1.907 176.468 174.600 -0.065 0.000 1.026 462 S CA 1.108 59.282 58.200 -0.044 0.000 0.972 462 S CB -1.110 62.071 63.200 -0.031 0.000 0.814 462 S HN 0.271 nan 8.310 nan 0.000 0.477 463 V N 2.188 122.034 119.914 -0.112 0.000 2.427 463 V HA -0.170 3.949 4.120 -0.001 0.000 0.248 463 V C 2.851 178.863 176.094 -0.138 0.000 1.051 463 V CA 1.851 64.061 62.300 -0.151 0.000 1.048 463 V CB -0.974 30.664 31.823 -0.308 0.000 0.666 463 V HN 0.510 nan 8.190 nan 0.000 0.456 464 Q N -0.082 119.637 119.800 -0.136 0.000 1.942 464 Q HA -0.193 4.146 4.340 -0.001 0.000 0.203 464 Q C 2.396 178.366 176.000 -0.050 0.000 0.987 464 Q CA 2.221 57.971 55.803 -0.088 0.000 0.844 464 Q CB -0.629 28.074 28.738 -0.058 0.000 0.911 464 Q HN 0.544 nan 8.270 nan 0.000 0.423 465 T N 1.416 115.948 114.554 -0.037 0.000 2.760 465 T HA -0.191 4.158 4.350 -0.001 0.000 0.269 465 T C 1.689 176.376 174.700 -0.022 0.000 1.047 465 T CA 1.310 63.398 62.100 -0.021 0.000 1.139 465 T CB -0.106 68.752 68.868 -0.016 0.000 0.855 465 T HN 0.092 nan 8.240 nan 0.000 0.471 466 K N 1.674 122.055 120.400 -0.032 0.000 2.001 466 K HA 0.138 4.457 4.320 -0.001 0.000 0.208 466 K C 2.193 178.779 176.600 -0.024 0.000 1.048 466 K CA 1.468 57.740 56.287 -0.026 0.000 0.932 466 K CB -0.679 31.803 32.500 -0.030 0.000 0.715 466 K HN 0.326 nan 8.250 nan 0.000 0.437 467 A N 1.406 124.206 122.820 -0.034 0.000 2.255 467 A HA -0.058 4.261 4.320 -0.001 0.000 0.206 467 A C 0.428 177.999 177.584 -0.022 0.000 1.193 467 A CA 0.841 52.861 52.037 -0.029 0.000 0.794 467 A CB -0.886 18.089 19.000 -0.041 0.000 0.794 467 A HN 0.640 nan 8.150 nan 0.000 0.481 468 N N -2.026 116.664 118.700 -0.017 0.000 2.696 468 N HA -0.205 4.534 4.740 -0.001 0.000 0.256 468 N C -0.656 174.851 175.510 -0.003 0.000 1.031 468 N CA 0.982 54.027 53.050 -0.008 0.000 0.730 468 N CB -1.921 36.563 38.487 -0.006 0.000 0.894 468 N HN 0.662 nan 8.380 nan 0.000 0.544 469 C N 2.592 121.891 119.300 -0.002 0.000 3.280 469 C HA 0.398 4.857 4.460 -0.001 0.000 0.334 469 C C -0.273 174.734 174.990 0.028 0.000 0.977 469 C CA -0.966 58.060 59.018 0.014 0.000 1.264 469 C CB -0.691 27.044 27.740 -0.007 0.000 1.688 469 C HN 0.409 nan 8.230 nan 0.000 0.592 470 I N 5.013 125.607 120.570 0.039 0.000 2.322 470 I HA 0.218 4.387 4.170 -0.001 0.000 0.292 470 I C 0.625 176.793 176.117 0.083 0.000 1.060 470 I CA -0.112 61.215 61.300 0.046 0.000 1.309 470 I CB 1.301 39.319 38.000 0.031 0.000 1.415 470 I HN 0.299 nan 8.210 nan 0.000 0.492 471 V N 6.301 126.281 119.914 0.110 0.000 2.901 471 V HA 0.071 4.190 4.120 -0.001 0.000 0.307 471 V C 1.398 177.551 176.094 0.097 0.000 1.084 471 V CA 1.390 63.785 62.300 0.158 0.000 1.184 471 V CB 0.564 32.510 31.823 0.205 0.000 0.941 471 V HN 1.157 nan 8.190 nan 0.000 0.493 472 G N 2.511 111.353 108.800 0.070 0.000 2.199 472 G HA2 -0.245 3.714 3.960 -0.001 0.000 0.254 472 G HA3 -0.245 3.714 3.960 -0.001 0.000 0.254 472 G C 0.905 175.821 174.900 0.027 0.000 0.982 472 G CA 0.612 45.732 45.100 0.033 0.000 0.632 472 G HN 0.654 nan 8.290 nan 0.000 0.529 473 K N -0.386 120.040 120.400 0.043 0.000 2.644 473 K HA 0.176 4.495 4.320 -0.001 0.000 0.231 473 K C 1.485 178.114 176.600 0.048 0.000 1.493 473 K CA 0.910 57.219 56.287 0.037 0.000 0.836 473 K CB -0.400 32.122 32.500 0.036 0.000 1.853 473 K HN 0.018 nan 8.250 nan 0.000 0.390 474 D N -0.405 120.038 120.400 0.073 0.000 2.224 474 D HA -0.060 4.579 4.640 -0.001 0.000 0.205 474 D C 0.045 176.443 176.300 0.163 0.000 0.965 474 D CA 1.029 55.084 54.000 0.092 0.000 0.852 474 D CB 0.170 41.019 40.800 0.082 0.000 0.947 474 D HN 0.122 nan 8.370 nan 0.000 0.494 475 Y N 0.191 120.504 120.300 0.021 0.000 2.441 475 Y HA 0.302 4.851 4.550 -0.001 0.000 0.334 475 Y C -2.599 173.322 175.900 0.034 0.000 1.061 475 Y CA -2.444 55.673 58.100 0.028 0.000 1.032 475 Y CB 1.960 40.442 38.460 0.038 0.000 1.266 475 Y HN -0.229 nan 8.280 nan 0.000 0.441 476 P HA 0.118 nan 4.420 nan 0.000 0.271 476 P C -1.411 175.728 177.300 -0.269 0.000 1.244 476 P CA -0.181 62.727 63.100 -0.320 0.000 0.793 476 P CB 1.196 32.699 31.700 -0.329 0.000 0.984 477 K N 0.114 120.430 120.400 -0.139 0.000 2.095 477 K HA 0.536 4.856 4.320 -0.001 0.000 0.252 477 K C -2.571 173.878 176.600 -0.252 0.000 0.977 477 K CA -2.490 53.726 56.287 -0.118 0.000 0.900 477 K CB -0.678 31.784 32.500 -0.063 0.000 1.060 477 K HN 0.152 nan 8.250 nan 0.000 0.449 478 P HA -0.141 nan 4.420 nan 0.000 0.255 478 P C 0.580 177.770 177.300 -0.183 0.000 1.161 478 P CA 0.530 63.276 63.100 -0.589 0.000 0.768 478 P CB 0.187 31.209 31.700 -1.130 0.000 0.746 479 M N 2.782 122.403 119.600 0.035 0.000 2.446 479 M HA 0.035 4.514 4.480 -0.001 0.000 0.263 479 M C 0.313 176.686 176.300 0.122 0.000 1.066 479 M CA 1.495 56.853 55.300 0.097 0.000 1.087 479 M CB 0.020 32.730 32.600 0.184 0.000 1.406 479 M HN 0.119 nan 8.290 nan 0.000 0.459 480 V N 0.473 120.507 119.914 0.199 0.000 3.216 480 V HA 0.423 4.542 4.120 -0.001 0.000 0.302 480 V C -1.767 174.452 176.094 0.207 0.000 1.286 480 V CA -1.070 61.325 62.300 0.160 0.000 1.048 480 V CB 2.486 34.392 31.823 0.137 0.000 1.081 480 V HN 0.145 nan 8.190 nan 0.000 0.442 481 L N 3.637 124.946 121.223 0.144 0.000 2.259 481 L HA 0.457 4.796 4.340 -0.001 0.000 0.288 481 L C 1.169 178.174 176.870 0.225 0.000 1.051 481 L CA 0.105 55.053 54.840 0.179 0.000 0.824 481 L CB 0.102 42.222 42.059 0.102 0.000 1.206 481 L HN 0.931 nan 8.230 nan 0.000 0.429 482 H N 1.794 121.010 119.070 0.244 0.000 2.297 482 H HA -0.257 4.298 4.556 -0.001 0.000 0.289 482 H C 1.175 176.563 175.328 0.101 0.000 1.105 482 H CA 2.657 58.795 56.048 0.150 0.000 1.219 482 H CB 0.340 30.231 29.762 0.215 0.000 1.351 482 H HN 0.717 nan 8.280 nan 0.000 0.481 483 D N -0.873 119.524 120.400 -0.006 0.000 2.087 483 D HA -0.160 4.480 4.640 -0.001 0.000 0.192 483 D C 2.568 178.816 176.300 -0.087 0.000 0.993 483 D CA 2.308 56.252 54.000 -0.093 0.000 0.828 483 D CB -0.554 40.263 40.800 0.029 0.000 0.968 483 D HN 0.580 nan 8.370 nan 0.000 0.448 484 S N 0.270 115.956 115.700 -0.023 0.000 2.402 484 S HA -0.032 4.437 4.470 -0.001 0.000 0.229 484 S C 2.125 176.692 174.600 -0.055 0.000 1.021 484 S CA 1.021 59.203 58.200 -0.031 0.000 0.974 484 S CB -0.426 62.771 63.200 -0.004 0.000 0.800 484 S HN 0.283 nan 8.310 nan 0.000 0.484 485 A N 2.663 125.454 122.820 -0.048 0.000 1.877 485 A HA -0.059 4.261 4.320 -0.001 0.000 0.216 485 A C 2.544 180.072 177.584 -0.093 0.000 1.186 485 A CA 2.127 54.127 52.037 -0.061 0.000 0.620 485 A CB -1.276 17.704 19.000 -0.034 0.000 0.822 485 A HN 0.771 nan 8.150 nan 0.000 0.443 486 S N -0.573 115.040 115.700 -0.146 0.000 2.406 486 S HA -0.096 4.373 4.470 -0.001 0.000 0.228 486 S C 1.895 176.441 174.600 -0.090 0.000 1.020 486 S CA 1.348 59.470 58.200 -0.130 0.000 0.965 486 S CB -0.250 62.785 63.200 -0.274 0.000 0.798 486 S HN 0.558 nan 8.310 nan 0.000 0.488 487 K N 0.784 121.123 120.400 -0.101 0.000 2.097 487 K HA -0.029 4.290 4.320 -0.001 0.000 0.205 487 K C 2.268 178.818 176.600 -0.083 0.000 1.050 487 K CA 1.137 57.381 56.287 -0.071 0.000 0.938 487 K CB -0.091 32.371 32.500 -0.063 0.000 0.718 487 K HN 0.233 nan 8.250 nan 0.000 0.442 488 E N 0.422 120.557 120.200 -0.108 0.000 2.106 488 E HA -0.153 4.196 4.350 -0.001 0.000 0.192 488 E C 2.006 178.461 176.600 -0.242 0.000 0.984 488 E CA 0.811 57.116 56.400 -0.159 0.000 0.806 488 E CB -0.212 29.394 29.700 -0.157 0.000 0.750 488 E HN 0.352 nan 8.360 nan 0.000 0.458 489 C N 0.364 119.550 119.300 -0.190 0.000 2.476 489 C HA -0.021 4.439 4.460 -0.001 0.000 0.278 489 C C 2.619 177.534 174.990 -0.125 0.000 1.274 489 C CA 0.430 59.334 59.018 -0.190 0.000 1.713 489 C CB -0.604 27.173 27.740 0.062 0.000 2.039 489 C HN 0.413 nan 8.230 nan 0.000 0.484 490 K N 0.465 120.850 120.400 -0.025 0.000 2.113 490 K HA -0.210 4.109 4.320 -0.001 0.000 0.208 490 K C 2.335 178.922 176.600 -0.022 0.000 1.047 490 K CA 1.413 57.744 56.287 0.072 0.000 0.928 490 K CB -0.198 32.363 32.500 0.102 0.000 0.716 490 K HN 0.460 nan 8.250 nan 0.000 0.446 491 R N 1.253 121.697 120.500 -0.094 0.000 2.055 491 R HA -0.106 4.233 4.340 -0.001 0.000 0.228 491 R C 1.847 178.037 176.300 -0.183 0.000 1.143 491 R CA 1.599 57.631 56.100 -0.112 0.000 0.945 491 R CB 0.033 30.262 30.300 -0.117 0.000 0.841 491 R HN 0.015 nan 8.270 nan 0.000 0.429 492 K N -0.049 120.178 120.400 -0.288 0.000 2.057 492 K HA -0.115 4.204 4.320 -0.001 0.000 0.207 492 K C 2.235 178.674 176.600 -0.269 0.000 1.049 492 K CA 1.437 57.526 56.287 -0.331 0.000 0.931 492 K CB -0.103 32.017 32.500 -0.634 0.000 0.714 492 K HN 0.226 nan 8.250 nan 0.000 0.440 493 M N 0.227 119.630 119.600 -0.327 0.000 2.108 493 M HA -0.119 4.360 4.480 -0.001 0.000 0.261 493 M C 2.394 178.313 176.300 -0.635 0.000 1.066 493 M CA 1.720 56.714 55.300 -0.510 0.000 1.107 493 M CB -1.392 30.671 32.600 -0.896 0.000 1.356 493 M HN 0.330 nan 8.290 nan 0.000 0.406 494 G N -0.050 108.435 108.800 -0.526 0.000 2.421 494 G HA2 -0.210 3.750 3.960 -0.001 0.000 0.216 494 G HA3 -0.210 3.750 3.960 -0.001 0.000 0.216 494 G C 1.481 176.356 174.900 -0.042 0.000 1.171 494 G CA 0.700 45.702 45.100 -0.164 0.000 0.775 494 G HN 0.531 nan 8.290 nan 0.000 0.543 495 E N 0.644 120.797 120.200 -0.079 0.000 2.072 495 E HA -0.052 4.297 4.350 -0.001 0.000 0.191 495 E C 2.958 179.536 176.600 -0.038 0.000 0.985 495 E CA 0.760 57.131 56.400 -0.049 0.000 0.801 495 E CB -0.212 29.444 29.700 -0.074 0.000 0.750 495 E HN 0.405 nan 8.360 nan 0.000 0.452 496 A N 0.703 123.484 122.820 -0.065 0.000 1.972 496 A HA -0.193 4.126 4.320 -0.001 0.000 0.219 496 A C 1.867 179.439 177.584 -0.022 0.000 1.169 496 A CA 1.181 53.177 52.037 -0.068 0.000 0.635 496 A CB -0.635 18.294 19.000 -0.119 0.000 0.810 496 A HN 0.231 nan 8.150 nan 0.000 0.446 497 Y N -0.201 120.008 120.300 -0.152 0.000 2.200 497 Y HA -0.027 4.522 4.550 -0.001 0.000 0.290 497 Y C 2.878 178.753 175.900 -0.041 0.000 1.137 497 Y CA 0.717 58.772 58.100 -0.075 0.000 1.163 497 Y CB -0.526 37.928 38.460 -0.010 0.000 0.988 497 Y HN 0.328 nan 8.280 nan 0.000 0.518 498 A N -0.415 122.471 122.820 0.109 0.000 1.902 498 A HA -0.172 4.147 4.320 -0.001 0.000 0.217 498 A C 2.166 179.748 177.584 -0.004 0.000 1.181 498 A CA 1.618 53.684 52.037 0.048 0.000 0.623 498 A CB -1.089 17.932 19.000 0.036 0.000 0.818 498 A HN 0.421 nan 8.150 nan 0.000 0.443 499 L N 0.902 122.112 121.223 -0.022 0.000 1.970 499 L HA -0.194 4.146 4.340 -0.001 0.000 0.212 499 L C 1.818 178.653 176.870 -0.059 0.000 1.071 499 L CA 2.388 57.204 54.840 -0.041 0.000 0.751 499 L CB -1.255 40.773 42.059 -0.051 0.000 0.889 499 L HN 0.432 nan 8.230 nan 0.000 0.432 500 N N -0.219 118.427 118.700 -0.091 0.000 2.258 500 N HA -0.266 4.474 4.740 -0.001 0.000 0.187 500 N C 1.831 177.280 175.510 -0.102 0.000 1.012 500 N CA 1.572 54.550 53.050 -0.119 0.000 0.870 500 N CB -0.071 38.292 38.487 -0.207 0.000 0.977 500 N HN 0.503 nan 8.380 nan 0.000 0.434 501 K N 1.722 122.075 120.400 -0.078 0.000 2.021 501 K HA -0.104 4.215 4.320 -0.001 0.000 0.205 501 K C 2.059 178.633 176.600 -0.044 0.000 1.047 501 K CA 0.819 57.071 56.287 -0.059 0.000 0.943 501 K CB 0.039 32.522 32.500 -0.030 0.000 0.725 501 K HN -0.043 nan 8.250 nan 0.000 0.439 502 K N 0.767 121.146 120.400 -0.035 0.000 1.977 502 K HA -0.158 4.161 4.320 -0.001 0.000 0.218 502 K C 1.645 178.227 176.600 -0.031 0.000 1.051 502 K CA 2.088 58.358 56.287 -0.028 0.000 0.953 502 K CB -0.177 32.309 32.500 -0.025 0.000 0.727 502 K HN 0.145 nan 8.250 nan 0.000 0.445 503 M N 1.569 121.148 119.600 -0.035 0.000 2.793 503 M HA -0.077 4.402 4.480 -0.001 0.000 0.215 503 M C -0.180 176.099 176.300 -0.035 0.000 1.087 503 M CA 0.675 55.956 55.300 -0.032 0.000 1.033 503 M CB -0.597 31.983 32.600 -0.033 0.000 1.760 503 M HN 0.311 nan 8.290 nan 0.000 0.514 504 D N 1.217 121.594 120.400 -0.039 0.000 2.701 504 D HA -0.206 4.433 4.640 -0.001 0.000 0.235 504 D C 1.064 177.336 176.300 -0.047 0.000 1.155 504 D CA 1.373 55.348 54.000 -0.041 0.000 0.649 504 D CB -1.012 39.770 40.800 -0.030 0.000 1.050 504 D HN 0.782 nan 8.370 nan 0.000 0.425 505 G N -0.070 108.693 108.800 -0.062 0.000 2.328 505 G HA2 -0.395 3.564 3.960 -0.001 0.000 0.256 505 G HA3 -0.395 3.564 3.960 -0.001 0.000 0.256 505 G C 0.898 175.771 174.900 -0.045 0.000 1.014 505 G CA 0.611 45.671 45.100 -0.066 0.000 0.620 505 G HN 0.444 nan 8.290 nan 0.000 0.530 506 K N 1.262 121.643 120.400 -0.033 0.000 2.706 506 K HA 0.342 4.661 4.320 -0.001 0.000 0.217 506 K C 1.021 177.608 176.600 -0.022 0.000 1.019 506 K CA -0.021 56.253 56.287 -0.021 0.000 1.181 506 K CB -0.115 32.377 32.500 -0.015 0.000 0.940 506 K HN 0.411 nan 8.250 nan 0.000 0.491 507 V N 3.605 123.500 119.914 -0.032 0.000 2.584 507 V HA -0.159 3.961 4.120 -0.001 0.000 0.303 507 V C 0.873 176.955 176.094 -0.020 0.000 1.035 507 V CA 0.216 62.497 62.300 -0.033 0.000 1.172 507 V CB -0.144 31.649 31.823 -0.049 0.000 0.896 507 V HN 0.447 nan 8.190 nan 0.000 0.486 508 D N 3.121 123.511 120.400 -0.017 0.000 2.567 508 D HA 0.233 4.872 4.640 -0.001 0.000 0.275 508 D C 0.912 177.207 176.300 -0.009 0.000 1.195 508 D CA -0.482 53.513 54.000 -0.009 0.000 1.087 508 D CB 0.648 41.444 40.800 -0.007 0.000 1.165 508 D HN 0.430 nan 8.370 nan 0.000 0.609 509 E N -0.246 119.951 120.200 -0.004 0.000 2.012 509 E HA -0.196 4.153 4.350 -0.001 0.000 0.197 509 E C 1.789 178.385 176.600 -0.007 0.000 1.007 509 E CA 1.405 57.803 56.400 -0.003 0.000 0.816 509 E CB -0.077 29.623 29.700 -0.000 0.000 0.762 509 E HN 0.541 nan 8.360 nan 0.000 0.451 510 E N 0.515 120.711 120.200 -0.008 0.000 2.110 510 E HA -0.170 4.179 4.350 -0.001 0.000 0.193 510 E C 1.861 178.452 176.600 -0.014 0.000 0.988 510 E CA 0.970 57.364 56.400 -0.010 0.000 0.804 510 E CB -0.133 29.562 29.700 -0.009 0.000 0.745 510 E HN 0.198 nan 8.360 nan 0.000 0.458 511 N N 0.671 119.360 118.700 -0.017 0.000 2.166 511 N HA -0.129 4.610 4.740 -0.001 0.000 0.186 511 N C 1.728 177.221 175.510 -0.028 0.000 1.019 511 N CA 0.717 53.754 53.050 -0.022 0.000 0.856 511 N CB -0.037 38.435 38.487 -0.025 0.000 0.993 511 N HN 0.078 nan 8.380 nan 0.000 0.426 512 L N 0.243 121.449 121.223 -0.028 0.000 2.109 512 L HA -0.107 4.232 4.340 -0.001 0.000 0.207 512 L C 2.913 179.767 176.870 -0.027 0.000 1.086 512 L CA 0.916 55.735 54.840 -0.035 0.000 0.760 512 L CB -0.262 41.778 42.059 -0.032 0.000 0.910 512 L HN 0.269 nan 8.230 nan 0.000 0.437 513 R N -0.122 120.368 120.500 -0.017 0.000 2.083 513 R HA -0.224 4.115 4.340 -0.001 0.000 0.237 513 R C 1.748 178.039 176.300 -0.015 0.000 1.137 513 R CA 2.090 58.183 56.100 -0.012 0.000 0.951 513 R CB -1.524 28.772 30.300 -0.008 0.000 0.851 513 R HN 0.440 nan 8.270 nan 0.000 0.434 514 D N 0.251 120.640 120.400 -0.018 0.000 2.123 514 D HA -0.094 4.545 4.640 -0.001 0.000 0.200 514 D C 2.036 178.320 176.300 -0.026 0.000 0.976 514 D CA 1.413 55.401 54.000 -0.020 0.000 0.831 514 D CB -0.215 40.574 40.800 -0.019 0.000 0.974 514 D HN 0.278 nan 8.370 nan 0.000 0.469 515 L N 1.565 122.768 121.223 -0.032 0.000 2.046 515 L HA -0.123 4.216 4.340 -0.001 0.000 0.208 515 L C 2.293 179.139 176.870 -0.040 0.000 1.077 515 L CA 1.588 56.403 54.840 -0.041 0.000 0.747 515 L CB -0.471 41.557 42.059 -0.051 0.000 0.896 515 L HN -0.144 nan 8.230 nan 0.000 0.432 516 R N -1.203 119.279 120.500 -0.030 0.000 2.096 516 R HA -0.147 4.192 4.340 -0.001 0.000 0.235 516 R C 2.322 178.611 176.300 -0.018 0.000 1.127 516 R CA 1.455 57.544 56.100 -0.019 0.000 0.968 516 R CB -0.052 30.245 30.300 -0.005 0.000 0.861 516 R HN 0.243 nan 8.270 nan 0.000 0.440 517 R N 0.483 120.972 120.500 -0.019 0.000 2.115 517 R HA 0.020 4.359 4.340 -0.001 0.000 0.226 517 R C 2.221 178.506 176.300 -0.024 0.000 1.100 517 R CA 1.194 57.283 56.100 -0.017 0.000 0.980 517 R CB -0.642 29.649 30.300 -0.014 0.000 0.875 517 R HN 0.288 nan 8.270 nan 0.000 0.445 518 K N 1.235 121.617 120.400 -0.030 0.000 2.002 518 K HA 0.002 4.321 4.320 -0.001 0.000 0.209 518 K C 1.999 178.573 176.600 -0.044 0.000 1.048 518 K CA 1.724 57.990 56.287 -0.035 0.000 0.930 518 K CB -0.483 31.994 32.500 -0.038 0.000 0.714 518 K HN 0.327 nan 8.250 nan 0.000 0.438 519 L N 1.301 122.492 121.223 -0.054 0.000 2.450 519 L HA -0.170 4.170 4.340 -0.001 0.000 0.224 519 L C 2.550 179.384 176.870 -0.059 0.000 1.149 519 L CA 0.733 55.529 54.840 -0.073 0.000 0.816 519 L CB -0.260 41.741 42.059 -0.097 0.000 0.932 519 L HN 0.122 nan 8.230 nan 0.000 0.449 520 Q N -0.364 119.412 119.800 -0.039 0.000 2.123 520 Q HA -0.093 4.246 4.340 -0.001 0.000 0.196 520 Q C 2.822 178.806 176.000 -0.028 0.000 0.958 520 Q CA 1.442 57.228 55.803 -0.029 0.000 0.841 520 Q CB -0.442 28.286 28.738 -0.017 0.000 0.915 520 Q HN 0.751 nan 8.270 nan 0.000 0.455 521 K N 1.578 121.961 120.400 -0.027 0.000 2.009 521 K HA -0.232 4.087 4.320 -0.001 0.000 0.210 521 K C 1.784 178.367 176.600 -0.029 0.000 1.049 521 K CA 1.959 58.231 56.287 -0.025 0.000 0.929 521 K CB -1.383 31.103 32.500 -0.023 0.000 0.714 521 K HN 0.482 nan 8.250 nan 0.000 0.440 522 D N 0.099 120.477 120.400 -0.037 0.000 2.104 522 D HA -0.091 4.549 4.640 -0.001 0.000 0.194 522 D C 2.383 178.658 176.300 -0.043 0.000 0.994 522 D CA 2.175 56.149 54.000 -0.042 0.000 0.830 522 D CB -0.448 40.319 40.800 -0.054 0.000 0.959 522 D HN 0.715 nan 8.370 nan 0.000 0.452 523 E N -0.099 120.073 120.200 -0.048 0.000 2.152 523 E HA -0.138 4.211 4.350 -0.001 0.000 0.192 523 E C 1.973 178.555 176.600 -0.031 0.000 0.983 523 E CA 1.620 57.993 56.400 -0.045 0.000 0.818 523 E CB -1.771 27.898 29.700 -0.052 0.000 0.758 523 E HN 0.782 nan 8.360 nan 0.000 0.467 524 H N -0.039 119.016 119.070 -0.025 0.000 2.556 524 H HA 0.296 4.851 4.556 -0.001 0.000 0.273 524 H C 1.644 176.962 175.328 -0.016 0.000 1.030 524 H CA 0.936 56.973 56.048 -0.018 0.000 1.156 524 H CB -0.112 29.641 29.762 -0.015 0.000 1.326 524 H HN 0.445 nan 8.280 nan 0.000 0.609 525 E N -0.592 119.597 120.200 -0.020 0.000 2.184 525 E HA 0.471 4.820 4.350 -0.001 0.000 0.194 525 E C 0.830 177.420 176.600 -0.016 0.000 0.978 525 E CA 1.176 57.566 56.400 -0.017 0.000 0.998 525 E CB 0.313 30.001 29.700 -0.020 0.000 1.240 525 E HN 0.830 nan 8.360 nan 0.000 0.492 526 E N 0.000 120.188 120.200 -0.020 0.000 2.725 526 E HA 0.000 4.349 4.350 -0.001 0.000 0.291 526 E CA 0.000 56.389 56.400 -0.018 0.000 0.976 526 E CB 0.000 29.693 29.700 -0.012 0.000 0.812 526 E HN 0.000 nan 8.360 nan 0.000 0.440