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 3iyf_1_C DATA FIRST_RESID 7 DATA SEQUENCE VLPENMKRYM GRDAQRMNIL AGRIIAETVR STLGPKGMDK MLVDDLGDVV DATA SEQUENCE VTNDGVTILR EMSVEHPAAK MLIEVAKTQE KEVGDGTTTA VVVAGELLRK DATA SEQUENCE AEELLDQNVH PTIVVKGYQA AAQKAQELLK TIACEVGAQD KEILTKIAMT DATA SEQUENCE SITGKGAEKA KEKLAEIIVE AVSAVVDDEG KVDKDLIKIE KKSGASIDDT DATA SEQUENCE ELIKGVLVDK ERVSAQMPKK VTDAKIALLN CAIEETASEM LKDMVAEIKA DATA SEQUENCE SGANVLFCQK GIDDLAQHYL AKEGIVAARR VKKSDMEKLA KATGANVITN DATA SEQUENCE IKDLSAQDLG DAGLVEERKI SGDSMIFVEE CKHPKAVTML IRGTTEHVIE DATA SEQUENCE EVARAVDDAV GVVGCTIEDG RIVSGGGSTE VELSMKLREY AEGISGREQL DATA SEQUENCE AVRAFADALE VIPRTLAENA GLDAIEILVK VRAAHASNGN KCAGLNVFTG DATA SEQUENCE AVEDMCENGV VEPLRVKTQA IQSAAESTEM LLRIDDVIAA E VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 7 V HA 0.000 nan 4.120 nan 0.000 0.244 7 V C 0.000 176.084 176.094 -0.016 0.000 1.182 7 V CA 0.000 62.291 62.300 -0.015 0.000 1.235 7 V CB 0.000 31.814 31.823 -0.015 0.000 1.184 8 L N 2.244 123.456 121.223 -0.018 0.000 2.516 8 L HA 0.672 5.012 4.340 0.001 0.000 0.267 8 L C -2.296 174.564 176.870 -0.017 0.000 0.957 8 L CA -1.605 53.224 54.840 -0.019 0.000 0.860 8 L CB 1.390 43.434 42.059 -0.026 0.000 1.265 8 L HN 0.014 nan 8.230 nan 0.000 0.403 9 P HA -0.040 nan 4.420 nan 0.000 0.272 9 P C -0.277 177.017 177.300 -0.011 0.000 1.243 9 P CA -0.479 62.615 63.100 -0.010 0.000 0.803 9 P CB 0.338 32.033 31.700 -0.008 0.000 0.974 10 E N 0.843 121.039 120.200 -0.007 0.000 3.669 10 E HA -0.370 3.981 4.350 0.001 0.000 0.307 10 E C -0.200 176.398 176.600 -0.004 0.000 0.807 10 E CA 1.428 57.825 56.400 -0.005 0.000 1.014 10 E CB -0.695 29.003 29.700 -0.002 0.000 0.979 10 E HN 0.581 nan 8.360 nan 0.000 0.535 11 N N 1.845 120.545 118.700 -0.000 0.000 2.962 11 N HA -0.254 4.486 4.740 0.001 0.000 0.206 11 N C 0.125 175.639 175.510 0.007 0.000 0.907 11 N CA 1.125 54.179 53.050 0.006 0.000 1.029 11 N CB -0.586 37.904 38.487 0.005 0.000 1.009 11 N HN 0.692 nan 8.380 nan 0.000 0.587 12 M N -1.921 117.677 119.600 -0.004 0.000 7.319 12 M HA -0.229 4.252 4.480 0.001 0.000 0.551 12 M C -0.504 175.777 176.300 -0.032 0.000 0.480 12 M CA 1.931 57.221 55.300 -0.017 0.000 1.311 12 M CB -1.117 31.468 32.600 -0.025 0.000 0.421 12 M HN 0.145 nan 8.290 nan 0.000 0.343 13 K N 1.144 121.519 120.400 -0.041 0.000 2.580 13 K HA 0.135 4.455 4.320 0.001 0.000 0.278 13 K C -0.008 176.429 176.600 -0.273 0.000 0.960 13 K CA 0.573 56.780 56.287 -0.132 0.000 0.988 13 K CB 0.177 32.650 32.500 -0.045 0.000 0.887 13 K HN 0.284 nan 8.250 nan 0.000 0.509 14 R N 2.106 122.306 120.500 -0.499 0.000 2.561 14 R HA 0.319 4.660 4.340 0.001 0.000 0.297 14 R C -1.575 174.310 176.300 -0.691 0.000 0.969 14 R CA -0.681 55.159 56.100 -0.434 0.000 0.879 14 R CB 0.918 31.094 30.300 -0.206 0.000 1.178 14 R HN 0.553 nan 8.270 nan 0.000 0.445 15 Y N 4.618 124.934 120.300 0.027 0.000 2.386 15 Y HA 0.454 5.004 4.550 -0.000 0.000 0.334 15 Y C 0.005 175.920 175.900 0.025 0.000 1.002 15 Y CA -1.161 56.956 58.100 0.028 0.000 1.068 15 Y CB 2.069 40.551 38.460 0.036 0.000 1.203 15 Y HN 0.352 nan 8.280 nan 0.000 0.443 16 M N 1.732 121.430 119.600 0.163 0.000 2.365 16 M HA 0.816 5.296 4.480 0.001 0.000 0.288 16 M C -0.034 176.318 176.300 0.087 0.000 1.152 16 M CA -0.224 55.132 55.300 0.094 0.000 0.948 16 M CB 1.236 33.871 32.600 0.058 0.000 1.729 16 M HN 0.989 nan 8.290 nan 0.000 0.487 17 G N 3.665 112.505 108.800 0.066 0.000 2.559 17 G HA2 -0.262 3.699 3.960 0.001 0.000 0.282 17 G HA3 -0.262 3.699 3.960 0.001 0.000 0.282 17 G C 0.628 175.557 174.900 0.048 0.000 1.177 17 G CA 0.476 45.607 45.100 0.053 0.000 0.960 17 G HN 0.857 nan 8.290 nan 0.000 0.540 18 R N 0.480 121.009 120.500 0.049 0.000 2.075 18 R HA 0.051 4.392 4.340 0.001 0.000 0.220 18 R C 2.322 178.631 176.300 0.015 0.000 1.118 18 R CA 1.260 57.376 56.100 0.026 0.000 0.986 18 R CB -0.400 29.913 30.300 0.022 0.000 0.884 18 R HN 0.598 nan 8.270 nan 0.000 0.439 19 D N 0.761 121.185 120.400 0.040 0.000 2.221 19 D HA -0.155 4.486 4.640 0.001 0.000 0.204 19 D C 1.521 177.791 176.300 -0.050 0.000 0.982 19 D CA 1.283 55.292 54.000 0.015 0.000 0.857 19 D CB 0.023 40.961 40.800 0.229 0.000 0.934 19 D HN 0.247 nan 8.370 nan 0.000 0.475 20 A N 0.744 123.603 122.820 0.065 0.000 1.871 20 A HA -0.103 4.217 4.320 0.001 0.000 0.211 20 A C 2.163 179.753 177.584 0.010 0.000 1.207 20 A CA 0.684 52.759 52.037 0.063 0.000 0.620 20 A CB -0.489 18.601 19.000 0.150 0.000 0.860 20 A HN 0.083 nan 8.150 nan 0.000 0.450 21 Q N -0.163 119.645 119.800 0.013 0.000 2.170 21 Q HA -0.123 4.217 4.340 0.001 0.000 0.203 21 Q C 2.026 178.013 176.000 -0.021 0.000 0.976 21 Q CA 1.312 57.116 55.803 0.000 0.000 0.858 21 Q CB -0.160 28.576 28.738 -0.003 0.000 0.907 21 Q HN 0.549 nan 8.270 nan 0.000 0.433 22 R N 0.622 121.098 120.500 -0.040 0.000 2.401 22 R HA -0.151 4.189 4.340 0.001 0.000 0.198 22 R C 2.109 178.351 176.300 -0.096 0.000 0.980 22 R CA 2.031 58.089 56.100 -0.069 0.000 0.839 22 R CB -0.475 29.773 30.300 -0.087 0.000 0.717 22 R HN 0.205 nan 8.270 nan 0.000 0.464 23 M N -0.102 119.398 119.600 -0.167 0.000 2.223 23 M HA -0.373 4.107 4.480 0.001 0.000 0.242 23 M C 1.596 177.827 176.300 -0.116 0.000 1.100 23 M CA 1.925 57.093 55.300 -0.220 0.000 1.042 23 M CB -1.058 31.356 32.600 -0.309 0.000 1.361 23 M HN 0.406 nan 8.290 nan 0.000 0.390 24 N N -0.295 118.400 118.700 -0.008 0.000 2.409 24 N HA 0.130 4.871 4.740 0.001 0.000 0.174 24 N C 1.699 177.226 175.510 0.028 0.000 1.037 24 N CA 0.300 53.392 53.050 0.070 0.000 0.898 24 N CB 0.340 38.872 38.487 0.076 0.000 1.010 24 N HN 0.301 nan 8.380 nan 0.000 0.445 25 I N 0.835 121.398 120.570 -0.011 0.000 2.296 25 I HA -0.141 4.030 4.170 0.001 0.000 0.242 25 I C 1.860 177.963 176.117 -0.025 0.000 1.087 25 I CA 0.727 62.018 61.300 -0.016 0.000 1.393 25 I CB -0.043 37.941 38.000 -0.026 0.000 1.093 25 I HN 0.113 nan 8.210 nan 0.000 0.421 26 L N 0.661 121.855 121.223 -0.048 0.000 2.349 26 L HA -0.171 4.169 4.340 0.001 0.000 0.220 26 L C 2.246 179.082 176.870 -0.057 0.000 1.130 26 L CA 0.944 55.747 54.840 -0.061 0.000 0.791 26 L CB -0.324 41.681 42.059 -0.091 0.000 0.918 26 L HN 0.275 nan 8.230 nan 0.000 0.444 27 A N -1.333 121.464 122.820 -0.038 0.000 2.343 27 A HA 0.252 4.572 4.320 0.001 0.000 0.223 27 A C 2.087 179.685 177.584 0.025 0.000 1.214 27 A CA 0.606 52.640 52.037 -0.005 0.000 0.900 27 A CB -0.138 18.896 19.000 0.056 0.000 0.942 27 A HN 0.361 nan 8.150 nan 0.000 0.507 28 G N 0.060 108.869 108.800 0.015 0.000 2.404 28 G HA2 -0.114 3.846 3.960 0.001 0.000 0.213 28 G HA3 -0.114 3.846 3.960 0.001 0.000 0.213 28 G C 1.701 176.600 174.900 -0.003 0.000 1.189 28 G CA 0.599 45.704 45.100 0.009 0.000 0.796 28 G HN 0.441 nan 8.290 nan 0.000 0.532 29 R N -0.317 120.177 120.500 -0.011 0.000 2.075 29 R HA 0.131 4.472 4.340 0.001 0.000 0.232 29 R C 2.610 178.901 176.300 -0.015 0.000 1.126 29 R CA 0.756 56.847 56.100 -0.015 0.000 0.963 29 R CB -0.391 29.898 30.300 -0.019 0.000 0.858 29 R HN 0.335 nan 8.270 nan 0.000 0.435 30 I N 1.192 121.752 120.570 -0.017 0.000 2.091 30 I HA -0.329 3.842 4.170 0.001 0.000 0.239 30 I C 1.893 178.005 176.117 -0.009 0.000 1.061 30 I CA 1.255 62.546 61.300 -0.015 0.000 1.317 30 I CB -0.240 37.749 38.000 -0.019 0.000 1.031 30 I HN 0.149 nan 8.210 nan 0.000 0.401 31 I N 0.853 121.421 120.570 -0.004 0.000 2.623 31 I HA -0.261 3.910 4.170 0.001 0.000 0.261 31 I C 2.558 178.672 176.117 -0.005 0.000 1.204 31 I CA 1.419 62.718 61.300 -0.001 0.000 1.444 31 I CB -2.130 35.873 38.000 0.005 0.000 1.094 31 I HN 0.234 nan 8.210 nan 0.000 0.451 32 A N 1.357 124.172 122.820 -0.009 0.000 1.855 32 A HA -0.117 4.203 4.320 0.001 0.000 0.213 32 A C 2.270 179.845 177.584 -0.014 0.000 1.195 32 A CA 0.867 52.896 52.037 -0.013 0.000 0.610 32 A CB -0.505 18.485 19.000 -0.017 0.000 0.837 32 A HN 0.414 nan 8.150 nan 0.000 0.444 33 E N -0.358 119.834 120.200 -0.014 0.000 2.097 33 E HA -0.163 4.187 4.350 0.001 0.000 0.196 33 E C 1.910 178.504 176.600 -0.011 0.000 1.000 33 E CA 1.512 57.904 56.400 -0.014 0.000 0.804 33 E CB -0.619 29.073 29.700 -0.014 0.000 0.740 33 E HN 0.559 nan 8.360 nan 0.000 0.454 34 T N 1.219 115.768 114.554 -0.009 0.000 2.321 34 T HA -0.240 4.110 4.350 0.001 0.000 0.224 34 T C 1.823 176.519 174.700 -0.007 0.000 1.498 34 T CA 2.488 64.584 62.100 -0.006 0.000 1.144 34 T CB -0.515 68.351 68.868 -0.004 0.000 0.853 34 T HN 0.249 nan 8.240 nan 0.000 0.411 35 V N 1.640 121.550 119.914 -0.007 0.000 3.490 35 V HA 0.287 4.408 4.120 0.001 0.000 0.315 35 V C 1.784 177.871 176.094 -0.010 0.000 1.284 35 V CA 0.728 63.023 62.300 -0.007 0.000 1.233 35 V CB -1.113 30.706 31.823 -0.005 0.000 1.101 35 V HN 0.550 nan 8.190 nan 0.000 0.425 36 R N 0.072 120.565 120.500 -0.012 0.000 2.189 36 R HA 0.196 4.536 4.340 0.001 0.000 0.203 36 R C 1.281 177.573 176.300 -0.014 0.000 1.012 36 R CA 1.072 57.163 56.100 -0.016 0.000 1.015 36 R CB -0.334 29.956 30.300 -0.017 0.000 0.938 36 R HN 0.429 nan 8.270 nan 0.000 0.472 37 S N 0.314 116.008 115.700 -0.010 0.000 2.574 37 S HA 0.095 4.566 4.470 0.001 0.000 0.242 37 S C 0.203 174.801 174.600 -0.004 0.000 0.982 37 S CA 0.038 58.233 58.200 -0.007 0.000 0.977 37 S CB 1.211 64.407 63.200 -0.006 0.000 0.814 37 S HN 0.549 nan 8.310 nan 0.000 0.464 38 T N -1.104 113.447 114.554 -0.005 0.000 2.986 38 T HA 0.340 4.691 4.350 0.001 0.000 0.264 38 T C 0.253 174.951 174.700 -0.003 0.000 0.964 38 T CA -0.356 61.743 62.100 -0.002 0.000 0.895 38 T CB -0.088 68.779 68.868 -0.001 0.000 1.163 38 T HN 0.287 nan 8.240 nan 0.000 0.517 39 L N 2.503 123.722 121.223 -0.008 0.000 2.397 39 L HA 0.578 4.919 4.340 0.001 0.000 0.271 39 L C 0.880 177.743 176.870 -0.011 0.000 1.148 39 L CA 1.153 55.987 54.840 -0.010 0.000 0.825 39 L CB 0.000 42.055 42.059 -0.007 0.000 1.117 39 L HN 0.607 nan 8.230 nan 0.000 0.456 40 G N 3.933 112.727 108.800 -0.010 0.000 2.642 40 G HA2 -0.251 3.709 3.960 0.001 0.000 0.231 40 G HA3 -0.251 3.709 3.960 0.001 0.000 0.231 40 G C -2.146 172.753 174.900 -0.002 0.000 1.338 40 G CA -0.207 44.886 45.100 -0.012 0.000 0.883 40 G HN 0.585 nan 8.290 nan 0.000 0.570 41 P HA -0.023 nan 4.420 nan 0.000 0.214 41 P C 1.990 179.301 177.300 0.018 0.000 1.162 41 P CA 2.016 65.120 63.100 0.006 0.000 0.874 41 P CB -0.153 31.520 31.700 -0.046 0.000 0.784 42 K N 0.031 120.428 120.400 -0.004 0.000 2.524 42 K HA -0.260 4.060 4.320 0.001 0.000 0.225 42 K C 1.247 177.854 176.600 0.012 0.000 0.687 42 K CA 2.023 58.311 56.287 0.002 0.000 0.875 42 K CB -2.706 29.794 32.500 0.000 0.000 0.336 42 K HN 0.265 nan 8.250 nan 0.000 1.012 43 G N 2.552 111.355 108.800 0.005 0.000 3.074 43 G HA2 -0.148 3.812 3.960 0.001 0.000 0.339 43 G HA3 -0.148 3.812 3.960 0.001 0.000 0.339 43 G C -0.083 174.823 174.900 0.011 0.000 0.185 43 G CA 0.604 45.708 45.100 0.007 0.000 1.253 43 G HN 0.401 nan 8.290 nan 0.000 0.552 44 M N 1.449 121.054 119.600 0.009 0.000 2.775 44 M HA 0.492 4.973 4.480 0.001 0.000 0.296 44 M C -0.215 176.090 176.300 0.009 0.000 1.248 44 M CA -0.868 54.437 55.300 0.009 0.000 0.800 44 M CB 1.710 34.314 32.600 0.007 0.000 1.765 44 M HN 0.543 nan 8.290 nan 0.000 0.472 45 D N 0.502 120.908 120.400 0.009 0.000 2.487 45 D HA 0.623 5.264 4.640 0.001 0.000 0.262 45 D C -0.685 175.619 176.300 0.007 0.000 1.130 45 D CA -0.349 53.657 54.000 0.009 0.000 1.038 45 D CB 1.184 41.991 40.800 0.011 0.000 1.142 45 D HN 0.245 nan 8.370 nan 0.000 0.575 46 K N 0.102 120.507 120.400 0.007 0.000 2.469 46 K HA 0.423 4.743 4.320 0.001 0.000 0.254 46 K C -0.804 175.800 176.600 0.007 0.000 0.939 46 K CA -0.669 55.621 56.287 0.006 0.000 0.812 46 K CB 2.717 35.220 32.500 0.005 0.000 1.301 46 K HN 0.257 nan 8.250 nan 0.000 0.433 47 M N 5.238 124.841 119.600 0.005 0.000 2.628 47 M HA 0.266 4.747 4.480 0.001 0.000 0.327 47 M C -1.206 175.097 176.300 0.005 0.000 1.223 47 M CA -0.586 54.717 55.300 0.005 0.000 1.221 47 M CB 0.027 32.629 32.600 0.004 0.000 1.202 47 M HN 0.467 nan 8.290 nan 0.000 0.473 48 L N 2.842 124.069 121.223 0.006 0.000 2.464 48 L HA 0.566 4.906 4.340 0.001 0.000 0.264 48 L C -0.067 176.806 176.870 0.006 0.000 1.199 48 L CA -0.501 54.343 54.840 0.006 0.000 0.818 48 L CB 0.999 43.062 42.059 0.007 0.000 1.102 48 L HN 0.480 nan 8.230 nan 0.000 0.473 49 V N 0.533 120.450 119.914 0.005 0.000 3.048 49 V HA 0.370 4.491 4.120 0.001 0.000 0.303 49 V C -1.358 174.739 176.094 0.005 0.000 1.214 49 V CA -0.795 61.508 62.300 0.005 0.000 0.984 49 V CB 2.380 34.206 31.823 0.005 0.000 1.054 49 V HN 0.917 nan 8.190 nan 0.000 0.430 50 D N 2.982 123.385 120.400 0.005 0.000 2.383 50 D HA 0.246 4.886 4.640 0.001 0.000 0.248 50 D C 0.794 177.097 176.300 0.005 0.000 1.170 50 D CA 0.164 54.167 54.000 0.006 0.000 0.977 50 D CB 0.710 41.514 40.800 0.006 0.000 1.120 50 D HN 0.568 nan 8.370 nan 0.000 0.481 51 D N -0.033 120.370 120.400 0.005 0.000 2.242 51 D HA -0.192 4.448 4.640 0.001 0.000 0.190 51 D C 1.911 178.213 176.300 0.005 0.000 1.012 51 D CA 1.389 55.392 54.000 0.005 0.000 0.875 51 D CB -0.220 40.583 40.800 0.005 0.000 0.922 51 D HN 0.271 nan 8.370 nan 0.000 0.448 52 L N -0.679 120.547 121.223 0.005 0.000 2.291 52 L HA 0.131 4.471 4.340 0.001 0.000 0.214 52 L C 2.251 179.124 176.870 0.004 0.000 1.120 52 L CA 1.302 56.145 54.840 0.005 0.000 0.799 52 L CB -1.097 40.964 42.059 0.005 0.000 0.925 52 L HN 0.299 nan 8.230 nan 0.000 0.446 53 G N -1.636 107.167 108.800 0.005 0.000 2.199 53 G HA2 -0.302 3.658 3.960 0.001 0.000 0.254 53 G HA3 -0.302 3.658 3.960 0.001 0.000 0.254 53 G C 0.422 175.324 174.900 0.004 0.000 0.982 53 G CA 0.286 45.389 45.100 0.004 0.000 0.632 53 G HN 0.377 nan 8.290 nan 0.000 0.529 54 D N 0.634 121.037 120.400 0.005 0.000 2.601 54 D HA 0.239 4.879 4.640 0.001 0.000 0.229 54 D C 0.966 177.269 176.300 0.006 0.000 1.140 54 D CA 1.339 55.343 54.000 0.006 0.000 0.862 54 D CB 1.040 41.844 40.800 0.006 0.000 1.192 54 D HN 1.051 nan 8.370 nan 0.000 0.480 55 V N 1.228 121.146 119.914 0.006 0.000 2.417 55 V HA 0.641 4.762 4.120 0.001 0.000 0.291 55 V C -0.345 175.754 176.094 0.009 0.000 1.024 55 V CA -0.730 61.574 62.300 0.007 0.000 0.861 55 V CB 1.757 33.583 31.823 0.005 0.000 0.985 55 V HN 0.233 nan 8.190 nan 0.000 0.436 56 V N 4.714 124.634 119.914 0.009 0.000 2.488 56 V HA 0.391 4.511 4.120 0.001 0.000 0.293 56 V C 0.019 176.120 176.094 0.013 0.000 1.027 56 V CA -0.689 61.618 62.300 0.013 0.000 0.862 56 V CB 1.424 33.254 31.823 0.012 0.000 1.008 56 V HN 0.847 nan 8.190 nan 0.000 0.428 57 V N 3.569 123.492 119.914 0.015 0.000 2.450 57 V HA 0.594 4.715 4.120 0.001 0.000 0.281 57 V C 0.623 176.730 176.094 0.021 0.000 1.019 57 V CA 0.413 62.723 62.300 0.016 0.000 1.062 57 V CB -0.069 31.763 31.823 0.016 0.000 0.979 57 V HN 1.114 nan 8.190 nan 0.000 0.477 58 T N 0.331 114.895 114.554 0.017 0.000 2.886 58 T HA 0.324 4.674 4.350 0.001 0.000 0.330 58 T C 0.329 175.037 174.700 0.014 0.000 1.488 58 T CA -0.279 61.832 62.100 0.018 0.000 1.054 58 T CB 1.824 70.701 68.868 0.016 0.000 1.348 58 T HN 0.588 nan 8.240 nan 0.000 0.489 59 N N 0.039 118.748 118.700 0.014 0.000 2.454 59 N HA -0.019 4.721 4.740 0.001 0.000 0.177 59 N C -0.641 174.874 175.510 0.007 0.000 1.049 59 N CA -0.145 52.911 53.050 0.011 0.000 0.887 59 N CB 0.510 39.005 38.487 0.013 0.000 1.095 59 N HN 0.546 nan 8.380 nan 0.000 0.446 60 D N 0.671 121.075 120.400 0.007 0.000 2.336 60 D HA 0.198 4.839 4.640 0.001 0.000 0.249 60 D C 1.273 177.575 176.300 0.002 0.000 1.213 60 D CA 0.054 54.056 54.000 0.004 0.000 0.870 60 D CB 1.155 41.958 40.800 0.004 0.000 1.076 60 D HN 0.377 nan 8.370 nan 0.000 0.483 61 G N 3.078 111.879 108.800 0.000 0.000 2.830 61 G HA2 -0.379 3.581 3.960 0.001 0.000 0.230 61 G HA3 -0.379 3.581 3.960 0.001 0.000 0.230 61 G C 1.616 176.516 174.900 0.000 0.000 1.172 61 G CA 1.275 46.375 45.100 -0.001 0.000 0.764 61 G HN 0.497 nan 8.290 nan 0.000 0.640 62 V N 0.593 120.507 119.914 -0.000 0.000 2.315 62 V HA -0.379 3.741 4.120 0.001 0.000 0.237 62 V C 2.796 178.891 176.094 0.001 0.000 0.979 62 V CA 4.216 66.516 62.300 -0.000 0.000 1.057 62 V CB -1.265 30.557 31.823 -0.001 0.000 0.710 62 V HN 0.596 nan 8.190 nan 0.000 0.515 63 T N 0.532 115.086 114.554 0.001 0.000 2.777 63 T HA -0.343 4.008 4.350 0.001 0.000 0.259 63 T C 1.509 176.211 174.700 0.004 0.000 1.034 63 T CA 2.664 64.765 62.100 0.003 0.000 1.161 63 T CB -0.671 68.198 68.868 0.003 0.000 0.843 63 T HN 0.566 nan 8.240 nan 0.000 0.477 64 I N 0.017 120.589 120.570 0.004 0.000 2.087 64 I HA -0.191 3.980 4.170 0.001 0.000 0.240 64 I C 2.011 178.131 176.117 0.004 0.000 1.054 64 I CA 1.285 62.587 61.300 0.004 0.000 1.311 64 I CB -0.252 37.750 38.000 0.003 0.000 1.024 64 I HN 0.227 nan 8.210 nan 0.000 0.402 65 L N -0.477 120.748 121.223 0.004 0.000 2.554 65 L HA 0.097 4.437 4.340 0.001 0.000 0.225 65 L C 2.286 179.159 176.870 0.005 0.000 1.104 65 L CA 0.895 55.738 54.840 0.005 0.000 0.866 65 L CB -1.121 40.941 42.059 0.005 0.000 1.047 65 L HN 0.167 nan 8.230 nan 0.000 0.468 66 R N 0.174 120.677 120.500 0.004 0.000 2.082 66 R HA -0.174 4.166 4.340 0.001 0.000 0.234 66 R C 2.132 178.435 176.300 0.004 0.000 1.136 66 R CA 1.658 57.760 56.100 0.003 0.000 0.935 66 R CB 0.230 30.532 30.300 0.002 0.000 0.842 66 R HN 0.199 nan 8.270 nan 0.000 0.430 67 E N 0.107 120.310 120.200 0.005 0.000 2.016 67 E HA -0.107 4.243 4.350 0.001 0.000 0.190 67 E C 0.813 177.417 176.600 0.006 0.000 0.985 67 E CA 0.597 57.000 56.400 0.005 0.000 0.802 67 E CB -0.209 29.495 29.700 0.006 0.000 0.762 67 E HN 0.122 nan 8.360 nan 0.000 0.448 68 M N 2.286 121.890 119.600 0.006 0.000 3.583 68 M HA -0.085 4.395 4.480 0.001 0.000 0.177 68 M C 0.482 176.788 176.300 0.009 0.000 1.792 68 M CA 0.021 55.326 55.300 0.008 0.000 1.798 68 M CB -1.405 31.199 32.600 0.007 0.000 1.315 68 M HN -0.096 nan 8.290 nan 0.000 0.518 69 S N 1.506 117.212 115.700 0.009 0.000 3.237 69 S HA -0.022 4.448 4.470 0.001 0.000 0.242 69 S C 0.564 175.172 174.600 0.014 0.000 0.964 69 S CA 0.190 58.397 58.200 0.010 0.000 1.189 69 S CB -1.628 61.578 63.200 0.009 0.000 1.063 69 S HN 0.841 nan 8.310 nan 0.000 0.509 70 V N 1.127 121.051 119.914 0.017 0.000 3.107 70 V HA -0.269 3.851 4.120 0.001 0.000 0.220 70 V C 0.916 177.031 176.094 0.034 0.000 2.103 70 V CA 1.873 64.189 62.300 0.026 0.000 1.868 70 V CB -0.102 31.736 31.823 0.025 0.000 0.894 70 V HN 0.879 nan 8.190 nan 0.000 0.473 71 E N 3.243 123.477 120.200 0.057 0.000 2.444 71 E HA 0.102 4.452 4.350 0.001 0.000 0.203 71 E C 0.655 177.324 176.600 0.115 0.000 0.847 71 E CA -0.082 56.361 56.400 0.072 0.000 1.142 71 E CB -0.035 29.712 29.700 0.078 0.000 1.125 71 E HN 0.880 nan 8.360 nan 0.000 0.521 72 H N 3.680 122.751 119.070 0.002 0.000 3.238 72 H HA -0.031 4.526 4.556 0.001 0.000 0.250 72 H C -1.784 173.547 175.328 0.006 0.000 0.826 72 H CA -0.624 55.425 56.048 0.002 0.000 1.409 72 H CB 0.722 30.480 29.762 -0.007 0.000 1.458 72 H HN 0.100 nan 8.280 nan 0.000 0.514 73 P HA -0.051 nan 4.420 nan 0.000 0.225 73 P C 0.980 178.197 177.300 -0.138 0.000 1.156 73 P CA 1.288 64.275 63.100 -0.189 0.000 0.787 73 P CB 0.366 31.955 31.700 -0.186 0.000 0.802 74 A N 0.782 123.499 122.820 -0.172 0.000 1.855 74 A HA -0.065 4.255 4.320 0.001 0.000 0.215 74 A C 2.321 179.908 177.584 0.005 0.000 1.191 74 A CA 1.884 53.894 52.037 -0.046 0.000 0.613 74 A CB -1.649 17.365 19.000 0.022 0.000 0.829 74 A HN 0.163 nan 8.150 nan 0.000 0.442 75 A N -0.519 122.326 122.820 0.042 0.000 2.054 75 A HA -0.241 4.079 4.320 0.001 0.000 0.223 75 A C 1.991 179.587 177.584 0.020 0.000 1.169 75 A CA 2.210 54.278 52.037 0.052 0.000 0.655 75 A CB -0.404 18.664 19.000 0.113 0.000 0.812 75 A HN 0.565 nan 8.150 nan 0.000 0.462 76 K N -1.463 118.934 120.400 -0.004 0.000 2.353 76 K HA 0.171 4.492 4.320 0.001 0.000 0.195 76 K C 1.036 177.630 176.600 -0.009 0.000 1.031 76 K CA 0.416 56.699 56.287 -0.007 0.000 1.079 76 K CB 0.244 32.734 32.500 -0.016 0.000 0.857 76 K HN 0.610 nan 8.250 nan 0.000 0.535 77 M N -0.404 119.190 119.600 -0.010 0.000 2.618 77 M HA 0.106 4.586 4.480 0.001 0.000 0.240 77 M C 1.235 177.536 176.300 0.001 0.000 1.123 77 M CA 1.050 56.347 55.300 -0.005 0.000 1.060 77 M CB -0.043 32.553 32.600 -0.008 0.000 1.535 77 M HN -0.048 nan 8.290 nan 0.000 0.507 78 L N -0.376 120.850 121.223 0.004 0.000 2.357 78 L HA 0.239 4.580 4.340 0.001 0.000 0.211 78 L C 2.075 178.947 176.870 0.004 0.000 1.075 78 L CA 0.241 55.084 54.840 0.006 0.000 0.830 78 L CB -0.028 42.036 42.059 0.008 0.000 0.996 78 L HN 0.336 nan 8.230 nan 0.000 0.467 79 I N -0.174 120.398 120.570 0.004 0.000 2.756 79 I HA -0.228 3.942 4.170 0.001 0.000 0.262 79 I C 2.022 178.140 176.117 0.001 0.000 1.225 79 I CA 1.385 62.686 61.300 0.002 0.000 1.472 79 I CB -0.082 37.920 38.000 0.003 0.000 1.094 79 I HN 0.270 nan 8.210 nan 0.000 0.454 80 E N -0.239 119.962 120.200 0.001 0.000 2.118 80 E HA -0.241 4.110 4.350 0.001 0.000 0.195 80 E C 2.318 178.919 176.600 0.003 0.000 0.992 80 E CA 1.699 58.100 56.400 0.001 0.000 0.804 80 E CB -0.335 29.366 29.700 0.001 0.000 0.741 80 E HN 0.527 nan 8.360 nan 0.000 0.458 81 V N 0.286 120.202 119.914 0.003 0.000 2.283 81 V HA -0.055 4.065 4.120 0.001 0.000 0.243 81 V C 1.724 177.819 176.094 0.003 0.000 1.039 81 V CA 2.043 64.346 62.300 0.004 0.000 1.016 81 V CB 0.133 31.960 31.823 0.008 0.000 0.650 81 V HN 0.266 nan 8.190 nan 0.000 0.449 82 A N -1.224 121.597 122.820 0.001 0.000 2.390 82 A HA 0.243 4.563 4.320 0.001 0.000 0.232 82 A C 2.108 179.692 177.584 -0.000 0.000 1.233 82 A CA 0.550 52.586 52.037 -0.000 0.000 0.907 82 A CB -0.262 18.737 19.000 -0.001 0.000 0.967 82 A HN 0.532 nan 8.150 nan 0.000 0.512 83 K N -0.226 120.174 120.400 0.000 0.000 2.116 83 K HA -0.047 4.273 4.320 0.001 0.000 0.203 83 K C 1.077 177.677 176.600 -0.000 0.000 1.052 83 K CA 1.574 57.861 56.287 -0.000 0.000 0.952 83 K CB -0.009 32.491 32.500 0.000 0.000 0.729 83 K HN 0.323 nan 8.250 nan 0.000 0.446 84 T N 0.748 115.303 114.554 0.001 0.000 3.113 84 T HA -0.028 4.323 4.350 0.001 0.000 0.256 84 T C 1.404 176.105 174.700 0.002 0.000 1.131 84 T CA 0.504 62.605 62.100 0.002 0.000 1.074 84 T CB 0.210 69.080 68.868 0.003 0.000 0.944 84 T HN 0.253 nan 8.240 nan 0.000 0.516 85 Q N 0.999 120.800 119.800 0.001 0.000 2.061 85 Q HA 0.010 4.351 4.340 0.001 0.000 0.195 85 Q C 2.414 178.413 176.000 -0.001 0.000 0.967 85 Q CA 0.939 56.742 55.803 0.001 0.000 0.829 85 Q CB -0.027 28.712 28.738 0.001 0.000 0.900 85 Q HN 0.217 nan 8.270 nan 0.000 0.450 86 E N 0.951 121.150 120.200 -0.002 0.000 2.048 86 E HA -0.310 4.041 4.350 0.001 0.000 0.202 86 E C 1.424 178.022 176.600 -0.003 0.000 1.021 86 E CA 2.058 58.457 56.400 -0.003 0.000 0.825 86 E CB -0.042 29.656 29.700 -0.004 0.000 0.756 86 E HN 0.339 nan 8.360 nan 0.000 0.454 87 K N 0.501 120.899 120.400 -0.003 0.000 2.413 87 K HA -0.300 4.020 4.320 0.001 0.000 0.205 87 K C 2.051 178.649 176.600 -0.003 0.000 0.830 87 K CA 2.768 59.053 56.287 -0.003 0.000 0.991 87 K CB -0.814 31.684 32.500 -0.003 0.000 1.171 87 K HN 0.352 nan 8.250 nan 0.000 0.553 88 E N -0.320 119.879 120.200 -0.002 0.000 2.045 88 E HA 0.023 4.373 4.350 0.001 0.000 0.195 88 E C 2.261 178.859 176.600 -0.003 0.000 0.953 88 E CA 0.993 57.392 56.400 -0.002 0.000 0.859 88 E CB -0.370 29.330 29.700 -0.001 0.000 0.854 88 E HN 0.152 nan 8.360 nan 0.000 0.471 89 V N -0.629 119.284 119.914 -0.002 0.000 2.795 89 V HA 0.198 4.318 4.120 0.001 0.000 0.243 89 V C 1.251 177.343 176.094 -0.004 0.000 1.069 89 V CA 1.918 64.216 62.300 -0.003 0.000 1.089 89 V CB 0.524 32.346 31.823 -0.002 0.000 0.756 89 V HN 0.648 nan 8.190 nan 0.000 0.471 90 G N -0.215 108.582 108.800 -0.004 0.000 2.697 90 G HA2 -0.170 3.790 3.960 0.001 0.000 0.200 90 G HA3 -0.170 3.790 3.960 0.001 0.000 0.200 90 G C -0.005 174.893 174.900 -0.004 0.000 1.106 90 G CA 0.160 45.257 45.100 -0.004 0.000 0.748 90 G HN 0.483 nan 8.290 nan 0.000 0.503 91 D N 1.586 121.984 120.400 -0.003 0.000 2.304 91 D HA 0.503 5.143 4.640 0.001 0.000 0.250 91 D C 1.170 177.468 176.300 -0.003 0.000 1.107 91 D CA 1.528 55.526 54.000 -0.003 0.000 0.885 91 D CB 0.783 41.582 40.800 -0.002 0.000 1.192 91 D HN 1.540 nan 8.370 nan 0.000 0.436 92 G N 2.267 111.064 108.800 -0.005 0.000 2.140 92 G HA2 -0.305 3.656 3.960 0.001 0.000 0.211 92 G HA3 -0.305 3.656 3.960 0.001 0.000 0.211 92 G C 1.120 176.016 174.900 -0.006 0.000 1.013 92 G CA 0.821 45.917 45.100 -0.006 0.000 0.705 92 G HN 0.591 nan 8.290 nan 0.000 0.508 93 T N -2.386 112.165 114.554 -0.005 0.000 2.643 93 T HA -0.151 4.200 4.350 0.001 0.000 0.264 93 T C 2.327 177.023 174.700 -0.007 0.000 1.045 93 T CA 2.627 64.724 62.100 -0.005 0.000 1.155 93 T CB -0.862 68.004 68.868 -0.004 0.000 0.863 93 T HN 0.448 nan 8.240 nan 0.000 0.420 94 T N 1.629 116.178 114.554 -0.009 0.000 2.759 94 T HA -0.102 4.248 4.350 0.001 0.000 0.269 94 T C 2.219 176.909 174.700 -0.017 0.000 1.042 94 T CA 1.842 63.935 62.100 -0.012 0.000 1.140 94 T CB -0.971 67.891 68.868 -0.011 0.000 0.864 94 T HN 0.499 nan 8.240 nan 0.000 0.455 95 T N 1.651 116.195 114.554 -0.017 0.000 2.812 95 T HA 0.133 4.483 4.350 0.001 0.000 0.264 95 T C 2.473 177.155 174.700 -0.030 0.000 1.042 95 T CA 0.928 63.013 62.100 -0.025 0.000 1.140 95 T CB -0.545 68.310 68.868 -0.021 0.000 0.870 95 T HN 0.430 nan 8.240 nan 0.000 0.445 96 A N 1.361 124.170 122.820 -0.019 0.000 1.873 96 A HA -0.124 4.196 4.320 0.001 0.000 0.218 96 A C 2.550 180.122 177.584 -0.019 0.000 1.193 96 A CA 1.979 54.007 52.037 -0.014 0.000 0.629 96 A CB -1.226 17.772 19.000 -0.004 0.000 0.826 96 A HN 0.347 nan 8.150 nan 0.000 0.447 97 V N -0.630 119.274 119.914 -0.017 0.000 2.233 97 V HA -0.249 3.871 4.120 0.001 0.000 0.247 97 V C 2.514 178.591 176.094 -0.027 0.000 1.050 97 V CA 2.085 64.374 62.300 -0.018 0.000 1.010 97 V CB -1.197 30.619 31.823 -0.012 0.000 0.637 97 V HN 0.356 nan 8.190 nan 0.000 0.444 98 V N 0.678 120.572 119.914 -0.033 0.000 2.223 98 V HA -0.218 3.903 4.120 0.001 0.000 0.244 98 V C 2.659 178.719 176.094 -0.057 0.000 1.045 98 V CA 2.158 64.434 62.300 -0.039 0.000 1.000 98 V CB -0.661 31.139 31.823 -0.038 0.000 0.635 98 V HN 0.544 nan 8.190 nan 0.000 0.445 99 V N -0.024 119.845 119.914 -0.076 0.000 2.613 99 V HA -0.288 3.833 4.120 0.001 0.000 0.259 99 V C 2.110 178.132 176.094 -0.120 0.000 1.099 99 V CA 2.483 64.709 62.300 -0.124 0.000 1.115 99 V CB -1.177 30.547 31.823 -0.164 0.000 0.686 99 V HN 0.445 nan 8.190 nan 0.000 0.481 100 A N 0.039 122.816 122.820 -0.071 0.000 2.044 100 A HA 0.425 4.745 4.320 0.001 0.000 0.213 100 A C 2.259 179.827 177.584 -0.027 0.000 1.169 100 A CA 0.988 53.001 52.037 -0.040 0.000 0.724 100 A CB -0.717 18.271 19.000 -0.019 0.000 0.840 100 A HN 0.725 nan 8.150 nan 0.000 0.463 101 G N -0.418 108.363 108.800 -0.031 0.000 2.595 101 G HA2 0.042 4.002 3.960 0.001 0.000 0.213 101 G HA3 0.042 4.002 3.960 0.001 0.000 0.213 101 G C 1.321 176.204 174.900 -0.028 0.000 1.141 101 G CA 0.983 46.069 45.100 -0.024 0.000 0.806 101 G HN 0.517 nan 8.290 nan 0.000 0.530 102 E N 0.605 120.779 120.200 -0.043 0.000 1.998 102 E HA -0.115 4.235 4.350 0.001 0.000 0.196 102 E C 2.269 178.850 176.600 -0.033 0.000 1.003 102 E CA 0.770 57.142 56.400 -0.046 0.000 0.829 102 E CB -0.687 28.971 29.700 -0.071 0.000 0.777 102 E HN 0.078 nan 8.360 nan 0.000 0.460 103 L N 0.102 121.294 121.223 -0.053 0.000 2.198 103 L HA -0.248 4.092 4.340 0.001 0.000 0.218 103 L C 2.231 179.128 176.870 0.045 0.000 1.084 103 L CA 1.730 56.560 54.840 -0.017 0.000 0.779 103 L CB -0.386 41.629 42.059 -0.073 0.000 0.890 103 L HN 0.352 nan 8.230 nan 0.000 0.439 104 L N -2.075 119.155 121.223 0.010 0.000 2.298 104 L HA -0.053 4.287 4.340 0.001 0.000 0.209 104 L C 2.591 179.461 176.870 0.000 0.000 1.084 104 L CA 0.577 55.419 54.840 0.003 0.000 0.816 104 L CB -0.414 41.643 42.059 -0.004 0.000 0.967 104 L HN 0.265 nan 8.230 nan 0.000 0.460 105 R N 0.873 121.373 120.500 -0.001 0.000 2.082 105 R HA -0.185 4.155 4.340 0.001 0.000 0.234 105 R C 2.169 178.475 176.300 0.010 0.000 1.136 105 R CA 1.495 57.594 56.100 -0.001 0.000 0.935 105 R CB -0.050 30.246 30.300 -0.007 0.000 0.842 105 R HN 0.137 nan 8.270 nan 0.000 0.430 106 K N 0.203 120.619 120.400 0.026 0.000 2.097 106 K HA -0.090 4.230 4.320 0.001 0.000 0.206 106 K C 1.991 178.626 176.600 0.058 0.000 1.049 106 K CA 1.299 57.615 56.287 0.049 0.000 0.933 106 K CB -0.244 32.308 32.500 0.085 0.000 0.717 106 K HN 0.350 nan 8.250 nan 0.000 0.442 107 A N 1.271 124.120 122.820 0.050 0.000 2.067 107 A HA -0.162 4.158 4.320 0.001 0.000 0.219 107 A C 2.065 179.636 177.584 -0.022 0.000 1.158 107 A CA 1.166 53.203 52.037 -0.000 0.000 0.661 107 A CB -0.279 18.681 19.000 -0.066 0.000 0.801 107 A HN 0.379 nan 8.150 nan 0.000 0.452 108 E N 0.106 120.300 120.200 -0.010 0.000 2.019 108 E HA -0.270 4.080 4.350 0.001 0.000 0.208 108 E C 1.810 178.404 176.600 -0.008 0.000 1.030 108 E CA 1.685 58.077 56.400 -0.013 0.000 0.856 108 E CB -0.236 29.457 29.700 -0.012 0.000 0.781 108 E HN 0.684 nan 8.360 nan 0.000 0.471 109 E N -0.029 120.172 120.200 0.003 0.000 2.196 109 E HA -0.304 4.046 4.350 0.001 0.000 0.222 109 E C 2.233 178.837 176.600 0.007 0.000 1.072 109 E CA 2.073 58.478 56.400 0.008 0.000 0.902 109 E CB -0.398 29.314 29.700 0.020 0.000 0.780 109 E HN 0.325 nan 8.360 nan 0.000 0.467 110 L N 0.173 121.400 121.223 0.007 0.000 1.976 110 L HA -0.212 4.128 4.340 0.001 0.000 0.209 110 L C 2.681 179.544 176.870 -0.012 0.000 1.071 110 L CA 1.119 55.959 54.840 0.000 0.000 0.746 110 L CB -0.983 41.077 42.059 0.002 0.000 0.890 110 L HN 0.206 nan 8.230 nan 0.000 0.432 111 L N -1.392 119.813 121.223 -0.030 0.000 2.149 111 L HA -0.310 4.031 4.340 0.001 0.000 0.223 111 L C 1.367 178.227 176.870 -0.017 0.000 1.089 111 L CA 2.010 56.829 54.840 -0.035 0.000 0.800 111 L CB -1.250 40.769 42.059 -0.067 0.000 0.897 111 L HN 0.280 nan 8.230 nan 0.000 0.443 112 D N -0.075 120.319 120.400 -0.009 0.000 2.319 112 D HA 0.034 4.675 4.640 0.001 0.000 0.230 112 D C 0.268 176.571 176.300 0.004 0.000 1.094 112 D CA 0.388 54.388 54.000 -0.001 0.000 0.856 112 D CB 0.133 40.932 40.800 -0.002 0.000 0.915 112 D HN 0.697 nan 8.370 nan 0.000 0.517 113 Q N 0.632 120.437 119.800 0.007 0.000 2.903 113 Q HA 0.175 4.515 4.340 0.001 0.000 0.342 113 Q C 0.059 176.068 176.000 0.015 0.000 0.808 113 Q CA -0.491 55.319 55.803 0.011 0.000 1.004 113 Q CB -0.187 28.558 28.738 0.011 0.000 1.470 113 Q HN 0.015 nan 8.270 nan 0.000 0.387 114 N N -0.002 118.708 118.700 0.017 0.000 2.869 114 N HA -0.179 4.562 4.740 0.001 0.000 0.249 114 N C -0.673 174.863 175.510 0.044 0.000 1.104 114 N CA 0.696 53.765 53.050 0.031 0.000 0.760 114 N CB -1.087 37.422 38.487 0.037 0.000 1.108 114 N HN 0.567 nan 8.380 nan 0.000 0.555 115 V N 2.859 122.786 119.914 0.021 0.000 2.519 115 V HA -0.047 4.074 4.120 0.001 0.000 0.258 115 V C 0.566 176.670 176.094 0.017 0.000 0.989 115 V CA 0.547 62.857 62.300 0.016 0.000 1.170 115 V CB -1.412 30.430 31.823 0.032 0.000 1.066 115 V HN 0.379 nan 8.190 nan 0.000 0.469 116 H N 8.374 127.438 119.070 -0.010 0.000 1.458 116 H HA -0.107 4.450 4.556 0.001 0.000 0.317 116 H C -1.232 174.083 175.328 -0.022 0.000 0.720 116 H CA 0.877 56.918 56.048 -0.012 0.000 1.113 116 H CB 0.000 29.757 29.762 -0.008 0.000 1.395 116 H HN 0.672 nan 8.280 nan 0.000 0.228 117 P HA -0.306 nan 4.420 nan 0.000 0.218 117 P C 1.545 178.746 177.300 -0.165 0.000 1.146 117 P CA 1.828 64.740 63.100 -0.313 0.000 0.813 117 P CB 0.154 31.608 31.700 -0.410 0.000 0.778 118 T N -0.907 113.618 114.554 -0.048 0.000 8.228 118 T HA -0.325 4.025 4.350 0.001 0.000 0.287 118 T C 1.525 176.236 174.700 0.019 0.000 1.560 118 T CA 2.803 64.942 62.100 0.066 0.000 1.794 118 T CB -1.314 67.614 68.868 0.101 0.000 2.097 118 T HN -0.029 nan 8.240 nan 0.000 0.780 119 I N 0.997 121.572 120.570 0.007 0.000 2.731 119 I HA 0.145 4.316 4.170 0.001 0.000 0.260 119 I C 2.865 178.974 176.117 -0.014 0.000 1.138 119 I CA 1.293 62.602 61.300 0.014 0.000 1.461 119 I CB -1.020 36.992 38.000 0.020 0.000 1.128 119 I HN 0.492 nan 8.210 nan 0.000 0.438 120 V N 1.933 121.796 119.914 -0.084 0.000 2.282 120 V HA -0.238 3.882 4.120 0.001 0.000 0.249 120 V C 2.603 178.511 176.094 -0.310 0.000 1.057 120 V CA 2.671 64.847 62.300 -0.206 0.000 1.032 120 V CB -0.288 31.375 31.823 -0.268 0.000 0.645 120 V HN 0.291 nan 8.190 nan 0.000 0.447 121 V N -1.475 118.320 119.914 -0.198 0.000 2.379 121 V HA -0.132 3.988 4.120 0.001 0.000 0.245 121 V C 2.512 178.624 176.094 0.030 0.000 1.044 121 V CA 2.260 64.497 62.300 -0.104 0.000 1.036 121 V CB -1.328 30.456 31.823 -0.064 0.000 0.664 121 V HN 0.517 nan 8.190 nan 0.000 0.453 122 K N 1.853 122.268 120.400 0.025 0.000 2.442 122 K HA -0.062 4.258 4.320 0.001 0.000 0.200 122 K C 1.775 178.434 176.600 0.098 0.000 1.045 122 K CA 1.529 57.847 56.287 0.052 0.000 0.937 122 K CB -0.742 31.783 32.500 0.042 0.000 0.757 122 K HN 0.653 nan 8.250 nan 0.000 0.474 123 G N -1.713 107.189 108.800 0.171 0.000 2.651 123 G HA2 -0.080 3.881 3.960 0.001 0.000 0.207 123 G HA3 -0.080 3.881 3.960 0.001 0.000 0.207 123 G C 0.870 175.997 174.900 0.379 0.000 1.131 123 G CA -0.084 45.191 45.100 0.292 0.000 0.816 123 G HN 0.207 nan 8.290 nan 0.000 0.534 124 Y N 1.989 122.274 120.300 -0.026 0.000 2.242 124 Y HA -0.120 4.431 4.550 0.001 0.000 0.291 124 Y C 3.096 178.876 175.900 -0.201 0.000 1.137 124 Y CA 0.895 58.937 58.100 -0.096 0.000 1.181 124 Y CB -0.763 37.776 38.460 0.131 0.000 0.989 124 Y HN 0.446 nan 8.280 nan 0.000 0.527 125 Q N -0.121 119.720 119.800 0.069 0.000 2.079 125 Q HA -0.090 4.250 4.340 0.001 0.000 0.200 125 Q C 2.217 178.181 176.000 -0.061 0.000 0.974 125 Q CA 1.597 57.398 55.803 -0.004 0.000 0.840 125 Q CB -0.616 28.141 28.738 0.031 0.000 0.898 125 Q HN 0.313 nan 8.270 nan 0.000 0.430 126 A N 1.082 123.879 122.820 -0.038 0.000 2.016 126 A HA 0.279 4.599 4.320 0.001 0.000 0.217 126 A C 2.230 179.723 177.584 -0.152 0.000 1.162 126 A CA 0.985 53.001 52.037 -0.035 0.000 0.662 126 A CB -0.406 18.635 19.000 0.068 0.000 0.812 126 A HN 0.522 nan 8.150 nan 0.000 0.450 127 A N -0.684 121.989 122.820 -0.246 0.000 2.169 127 A HA 0.471 4.791 4.320 0.001 0.000 0.212 127 A C 2.140 179.357 177.584 -0.612 0.000 1.153 127 A CA 1.231 52.982 52.037 -0.476 0.000 0.756 127 A CB -0.438 18.247 19.000 -0.525 0.000 0.813 127 A HN 0.755 nan 8.150 nan 0.000 0.471 128 A N -0.048 122.490 122.820 -0.469 0.000 1.903 128 A HA -0.041 4.279 4.320 0.001 0.000 0.213 128 A C 2.074 179.547 177.584 -0.184 0.000 1.185 128 A CA 1.182 53.036 52.037 -0.305 0.000 0.628 128 A CB -0.372 18.528 19.000 -0.167 0.000 0.830 128 A HN 0.589 nan 8.150 nan 0.000 0.446 129 Q N -0.139 119.563 119.800 -0.164 0.000 2.049 129 Q HA -0.059 4.281 4.340 0.001 0.000 0.198 129 Q C 1.973 177.877 176.000 -0.160 0.000 0.971 129 Q CA 1.275 57.005 55.803 -0.122 0.000 0.833 129 Q CB -0.264 28.429 28.738 -0.075 0.000 0.896 129 Q HN 0.462 nan 8.270 nan 0.000 0.434 130 K N 0.682 120.936 120.400 -0.243 0.000 2.280 130 K HA -0.068 4.252 4.320 0.001 0.000 0.202 130 K C 1.874 178.307 176.600 -0.279 0.000 1.047 130 K CA 0.922 57.007 56.287 -0.336 0.000 0.942 130 K CB -0.039 32.048 32.500 -0.688 0.000 0.739 130 K HN 0.227 nan 8.250 nan 0.000 0.457 131 A N 0.727 123.400 122.820 -0.245 0.000 2.014 131 A HA -0.119 4.202 4.320 0.001 0.000 0.218 131 A C 1.951 179.474 177.584 -0.103 0.000 1.163 131 A CA 0.759 52.700 52.037 -0.160 0.000 0.652 131 A CB -0.158 18.769 19.000 -0.121 0.000 0.808 131 A HN 0.266 nan 8.150 nan 0.000 0.449 132 Q N 0.295 120.037 119.800 -0.097 0.000 2.061 132 Q HA -0.253 4.087 4.340 0.001 0.000 0.204 132 Q C 1.958 177.921 176.000 -0.062 0.000 0.984 132 Q CA 2.028 57.792 55.803 -0.064 0.000 0.846 132 Q CB -0.433 28.270 28.738 -0.058 0.000 0.902 132 Q HN 0.964 nan 8.270 nan 0.000 0.421 133 E N 1.255 121.405 120.200 -0.083 0.000 2.045 133 E HA -0.242 4.109 4.350 0.001 0.000 0.212 133 E C 2.043 178.607 176.600 -0.061 0.000 1.039 133 E CA 2.122 58.477 56.400 -0.075 0.000 0.860 133 E CB -1.133 28.535 29.700 -0.054 0.000 0.776 133 E HN 0.371 nan 8.360 nan 0.000 0.467 134 L N -0.167 121.008 121.223 -0.080 0.000 2.056 134 L HA -0.075 4.265 4.340 0.001 0.000 0.207 134 L C 2.825 179.665 176.870 -0.051 0.000 1.078 134 L CA 0.984 55.782 54.840 -0.069 0.000 0.749 134 L CB -0.695 41.311 42.059 -0.088 0.000 0.901 134 L HN 0.117 nan 8.230 nan 0.000 0.433 135 L N 0.474 121.670 121.223 -0.046 0.000 1.961 135 L HA -0.201 4.139 4.340 0.001 0.000 0.210 135 L C 2.526 179.384 176.870 -0.020 0.000 1.072 135 L CA 1.500 56.322 54.840 -0.031 0.000 0.749 135 L CB -0.629 41.416 42.059 -0.024 0.000 0.889 135 L HN 0.193 nan 8.230 nan 0.000 0.432 136 K N -0.269 120.118 120.400 -0.020 0.000 2.525 136 K HA -0.204 4.116 4.320 0.001 0.000 0.199 136 K C 1.491 178.086 176.600 -0.009 0.000 1.047 136 K CA 1.759 58.037 56.287 -0.014 0.000 0.930 136 K CB -0.806 31.686 32.500 -0.013 0.000 0.763 136 K HN 0.619 nan 8.250 nan 0.000 0.492 137 T N -2.256 112.293 114.554 -0.008 0.000 3.028 137 T HA 0.092 4.443 4.350 0.001 0.000 0.250 137 T C 1.817 176.522 174.700 0.009 0.000 0.979 137 T CA 0.096 62.195 62.100 -0.002 0.000 1.004 137 T CB -0.363 68.501 68.868 -0.006 0.000 1.120 137 T HN 0.175 nan 8.240 nan 0.000 0.482 138 I N 2.568 123.142 120.570 0.007 0.000 2.361 138 I HA 0.299 4.470 4.170 0.001 0.000 0.251 138 I C 1.689 177.825 176.117 0.032 0.000 1.133 138 I CA 0.268 61.587 61.300 0.031 0.000 1.413 138 I CB -1.490 36.525 38.000 0.023 0.000 1.073 138 I HN 0.259 nan 8.210 nan 0.000 0.424 139 A N 1.853 124.681 122.820 0.015 0.000 2.470 139 A HA -0.085 4.236 4.320 0.001 0.000 0.290 139 A C 0.967 178.559 177.584 0.013 0.000 1.120 139 A CA 0.777 52.820 52.037 0.011 0.000 1.013 139 A CB -1.408 17.594 19.000 0.003 0.000 0.914 139 A HN 0.819 nan 8.150 nan 0.000 0.525 140 C N 5.266 124.576 119.300 0.017 0.000 2.518 140 C HA 0.435 4.895 4.460 0.001 0.000 0.456 140 C C 0.877 175.873 174.990 0.009 0.000 1.016 140 C CA -0.462 58.566 59.018 0.015 0.000 1.210 140 C CB -2.269 25.483 27.740 0.020 0.000 1.542 140 C HN 0.940 nan 8.230 nan 0.000 0.545 141 E N 1.553 121.757 120.200 0.007 0.000 2.916 141 E HA 0.018 4.368 4.350 0.001 0.000 0.293 141 E C -0.354 176.248 176.600 0.003 0.000 0.992 141 E CA 0.355 56.758 56.400 0.004 0.000 1.002 141 E CB 0.222 29.924 29.700 0.003 0.000 1.046 141 E HN 1.055 nan 8.360 nan 0.000 0.471 142 V N 2.481 122.397 119.914 0.002 0.000 5.600 142 V HA 0.173 4.294 4.120 0.001 0.000 0.244 142 V C 0.100 176.194 176.094 0.001 0.000 0.990 142 V CA 0.115 62.416 62.300 0.002 0.000 1.510 142 V CB 0.175 31.999 31.823 0.002 0.000 0.162 142 V HN 1.031 nan 8.190 nan 0.000 0.434 143 G N 2.650 111.450 108.800 0.001 0.000 2.651 143 G HA2 0.571 4.531 3.960 0.001 0.000 0.260 143 G HA3 0.571 4.531 3.960 0.001 0.000 0.260 143 G C 1.076 175.976 174.900 -0.000 0.000 1.216 143 G CA 0.082 45.182 45.100 -0.000 0.000 0.913 143 G HN 1.546 nan 8.290 nan 0.000 0.535 144 A N -1.188 121.632 122.820 -0.001 0.000 2.132 144 A HA 0.119 4.439 4.320 0.001 0.000 0.213 144 A C 2.009 179.592 177.584 -0.003 0.000 1.154 144 A CA 0.929 52.964 52.037 -0.002 0.000 0.753 144 A CB -0.074 18.925 19.000 -0.002 0.000 0.826 144 A HN 0.628 nan 8.150 nan 0.000 0.469 145 Q N -0.061 119.738 119.800 -0.002 0.000 2.378 145 Q HA -0.056 4.285 4.340 0.001 0.000 0.205 145 Q C -0.481 175.517 176.000 -0.002 0.000 0.954 145 Q CA 0.022 55.823 55.803 -0.003 0.000 0.901 145 Q CB 0.063 28.799 28.738 -0.004 0.000 0.981 145 Q HN 0.489 nan 8.270 nan 0.000 0.483 146 D N 0.907 121.306 120.400 -0.002 0.000 2.401 146 D HA -0.032 4.608 4.640 0.001 0.000 0.254 146 D C 0.714 177.013 176.300 -0.001 0.000 1.192 146 D CA 0.336 54.335 54.000 -0.001 0.000 0.885 146 D CB 0.865 41.665 40.800 -0.000 0.000 1.147 146 D HN -0.023 nan 8.370 nan 0.000 0.478 147 K N 2.746 123.146 120.400 -0.001 0.000 1.990 147 K HA -0.310 4.011 4.320 0.001 0.000 0.225 147 K C 1.603 178.203 176.600 0.001 0.000 1.053 147 K CA 1.883 58.170 56.287 0.000 0.000 0.982 147 K CB -0.073 32.427 32.500 -0.000 0.000 0.734 147 K HN 0.623 nan 8.250 nan 0.000 0.448 148 E N 0.510 120.711 120.200 0.002 0.000 2.200 148 E HA -0.249 4.101 4.350 0.001 0.000 0.211 148 E C 1.843 178.444 176.600 0.003 0.000 1.048 148 E CA 2.323 58.724 56.400 0.002 0.000 0.851 148 E CB -0.305 29.397 29.700 0.002 0.000 0.747 148 E HN 0.591 nan 8.360 nan 0.000 0.462 149 I N -2.670 117.901 120.570 0.002 0.000 3.783 149 I HA 0.028 4.198 4.170 0.001 0.000 0.310 149 I C 1.655 177.773 176.117 0.002 0.000 1.274 149 I CA -0.024 61.278 61.300 0.003 0.000 1.294 149 I CB 0.155 38.156 38.000 0.002 0.000 1.051 149 I HN -0.025 nan 8.210 nan 0.000 0.435 150 L N 1.632 122.856 121.223 0.001 0.000 2.109 150 L HA -0.054 4.286 4.340 0.001 0.000 0.207 150 L C 2.802 179.673 176.870 0.002 0.000 1.086 150 L CA 2.431 57.271 54.840 0.001 0.000 0.760 150 L CB -1.141 40.917 42.059 -0.001 0.000 0.910 150 L HN 0.577 nan 8.230 nan 0.000 0.437 151 T N -4.360 110.196 114.554 0.003 0.000 3.023 151 T HA -0.100 4.251 4.350 0.001 0.000 0.266 151 T C 1.867 176.571 174.700 0.007 0.000 1.093 151 T CA 0.652 62.754 62.100 0.005 0.000 1.129 151 T CB -0.077 68.794 68.868 0.005 0.000 0.899 151 T HN 0.212 nan 8.240 nan 0.000 0.491 152 K N 0.763 121.168 120.400 0.007 0.000 2.007 152 K HA 0.102 4.422 4.320 0.001 0.000 0.206 152 K C 2.141 178.746 176.600 0.009 0.000 1.047 152 K CA 1.128 57.420 56.287 0.009 0.000 0.937 152 K CB -0.167 32.338 32.500 0.009 0.000 0.718 152 K HN 0.308 nan 8.250 nan 0.000 0.438 153 I N 1.123 121.697 120.570 0.006 0.000 2.567 153 I HA -0.157 4.013 4.170 0.001 0.000 0.257 153 I C 2.293 178.412 176.117 0.005 0.000 1.184 153 I CA 0.964 62.267 61.300 0.005 0.000 1.451 153 I CB -1.445 36.556 38.000 0.003 0.000 1.089 153 I HN 0.053 nan 8.210 nan 0.000 0.441 154 A N 2.046 124.868 122.820 0.005 0.000 1.930 154 A HA -0.132 4.189 4.320 0.001 0.000 0.215 154 A C 2.441 180.030 177.584 0.007 0.000 1.176 154 A CA 1.203 53.243 52.037 0.004 0.000 0.632 154 A CB -0.487 18.515 19.000 0.003 0.000 0.819 154 A HN 0.501 nan 8.150 nan 0.000 0.445 155 M N -0.498 119.108 119.600 0.011 0.000 2.106 155 M HA -0.131 4.349 4.480 0.001 0.000 0.259 155 M C 1.471 177.783 176.300 0.019 0.000 1.068 155 M CA 2.444 57.753 55.300 0.016 0.000 1.100 155 M CB -1.498 31.114 32.600 0.020 0.000 1.351 155 M HN 0.188 nan 8.290 nan 0.000 0.404 156 T N -0.432 114.131 114.554 0.015 0.000 3.160 156 T HA 0.063 4.414 4.350 0.001 0.000 0.257 156 T C 1.812 176.519 174.700 0.010 0.000 1.147 156 T CA 1.027 63.135 62.100 0.014 0.000 1.064 156 T CB -0.197 68.679 68.868 0.013 0.000 0.949 156 T HN 0.468 nan 8.240 nan 0.000 0.526 157 S N 1.430 117.136 115.700 0.009 0.000 2.436 157 S HA 0.140 4.610 4.470 0.001 0.000 0.228 157 S C 1.185 175.789 174.600 0.007 0.000 1.014 157 S CA 0.350 58.554 58.200 0.006 0.000 0.950 157 S CB -0.194 63.007 63.200 0.002 0.000 0.784 157 S HN 0.683 nan 8.310 nan 0.000 0.504 158 I N 1.550 122.127 120.570 0.012 0.000 3.376 158 I HA 0.290 4.460 4.170 0.001 0.000 0.347 158 I C 0.311 176.443 176.117 0.025 0.000 1.453 158 I CA -0.585 60.724 61.300 0.015 0.000 1.044 158 I CB 0.127 38.135 38.000 0.013 0.000 1.668 158 I HN -0.052 nan 8.210 nan 0.000 0.490 159 T N -1.476 113.094 114.554 0.026 0.000 2.909 159 T HA 0.545 4.896 4.350 0.001 0.000 0.289 159 T C 1.182 175.902 174.700 0.033 0.000 1.005 159 T CA 0.261 62.382 62.100 0.035 0.000 1.084 159 T CB 1.451 70.342 68.868 0.038 0.000 0.975 159 T HN 0.866 nan 8.240 nan 0.000 0.509 160 G N 2.260 111.088 108.800 0.046 0.000 2.203 160 G HA2 -0.238 3.722 3.960 0.001 0.000 0.263 160 G HA3 -0.238 3.722 3.960 0.001 0.000 0.263 160 G C -0.026 174.895 174.900 0.036 0.000 1.012 160 G CA 0.922 46.047 45.100 0.042 0.000 0.749 160 G HN 1.010 nan 8.290 nan 0.000 0.512 161 K N -2.197 118.224 120.400 0.035 0.000 1.956 161 K HA 0.693 5.013 4.320 0.001 0.000 0.245 161 K C 1.321 177.942 176.600 0.035 0.000 1.015 161 K CA -0.500 55.807 56.287 0.032 0.000 0.864 161 K CB 0.059 32.574 32.500 0.025 0.000 1.570 161 K HN 0.282 nan 8.250 nan 0.000 0.577 162 G N -0.218 108.604 108.800 0.037 0.000 3.383 162 G HA2 0.414 4.375 3.960 0.001 0.000 0.251 162 G HA3 0.414 4.375 3.960 0.001 0.000 0.251 162 G C -0.019 174.901 174.900 0.033 0.000 1.203 162 G CA 0.334 45.459 45.100 0.042 0.000 0.852 162 G HN 0.552 nan 8.290 nan 0.000 0.531 163 A N 0.471 123.308 122.820 0.027 0.000 1.888 163 A HA 0.239 4.559 4.320 0.001 0.000 0.234 163 A C 0.723 178.318 177.584 0.020 0.000 2.715 163 A CA 0.389 52.438 52.037 0.020 0.000 2.097 163 A CB -1.159 17.851 19.000 0.017 0.000 0.367 163 A HN 0.381 nan 8.150 nan 0.000 0.946 164 E N 0.558 120.774 120.200 0.026 0.000 2.394 164 E HA -0.268 4.083 4.350 0.001 0.000 0.202 164 E C 1.389 178.002 176.600 0.022 0.000 1.029 164 E CA 1.898 58.317 56.400 0.030 0.000 0.855 164 E CB 0.026 29.755 29.700 0.049 0.000 0.770 164 E HN 0.381 nan 8.360 nan 0.000 0.527 165 K N 0.276 120.683 120.400 0.013 0.000 2.137 165 K HA 0.141 4.462 4.320 0.001 0.000 0.202 165 K C 1.682 178.283 176.600 0.001 0.000 1.052 165 K CA 1.086 57.374 56.287 0.001 0.000 0.961 165 K CB -0.260 32.235 32.500 -0.008 0.000 0.741 165 K HN 0.232 nan 8.250 nan 0.000 0.452 166 A N 2.265 125.089 122.820 0.006 0.000 2.265 166 A HA -0.047 4.274 4.320 0.001 0.000 0.213 166 A C 1.680 179.269 177.584 0.008 0.000 1.255 166 A CA 0.330 52.370 52.037 0.006 0.000 0.862 166 A CB -0.609 18.395 19.000 0.007 0.000 0.852 166 A HN 0.345 nan 8.150 nan 0.000 0.484 167 K N 0.378 120.784 120.400 0.010 0.000 2.286 167 K HA -0.205 4.116 4.320 0.001 0.000 0.203 167 K C 1.329 177.936 176.600 0.010 0.000 1.045 167 K CA 1.861 58.156 56.287 0.013 0.000 0.935 167 K CB -0.119 32.392 32.500 0.020 0.000 0.737 167 K HN 0.576 nan 8.250 nan 0.000 0.460 168 E N 0.358 120.563 120.200 0.008 0.000 2.250 168 E HA -0.073 4.278 4.350 0.001 0.000 0.192 168 E C 1.510 178.113 176.600 0.005 0.000 0.986 168 E CA 0.421 56.825 56.400 0.007 0.000 0.849 168 E CB 0.322 30.025 29.700 0.005 0.000 0.797 168 E HN 0.112 nan 8.360 nan 0.000 0.482 169 K N 0.200 120.603 120.400 0.005 0.000 2.323 169 K HA 0.133 4.454 4.320 0.001 0.000 0.197 169 K C 1.830 178.432 176.600 0.004 0.000 1.043 169 K CA 0.198 56.488 56.287 0.005 0.000 0.997 169 K CB 0.083 32.586 32.500 0.005 0.000 0.807 169 K HN 0.090 nan 8.250 nan 0.000 0.497 170 L N -0.145 121.081 121.223 0.005 0.000 2.027 170 L HA -0.098 4.243 4.340 0.001 0.000 0.206 170 L C 2.192 179.063 176.870 0.002 0.000 1.074 170 L CA 1.655 56.497 54.840 0.004 0.000 0.745 170 L CB -0.770 41.292 42.059 0.005 0.000 0.898 170 L HN 0.184 nan 8.230 nan 0.000 0.433 171 A N -0.526 122.297 122.820 0.004 0.000 2.019 171 A HA -0.236 4.085 4.320 0.001 0.000 0.219 171 A C 2.227 179.812 177.584 0.001 0.000 1.164 171 A CA 1.784 53.823 52.037 0.003 0.000 0.644 171 A CB -0.370 18.633 19.000 0.005 0.000 0.805 171 A HN 0.518 nan 8.150 nan 0.000 0.449 172 E N -0.004 120.197 120.200 0.002 0.000 2.276 172 E HA 0.002 4.352 4.350 0.001 0.000 0.193 172 E C 1.778 178.377 176.600 -0.001 0.000 0.983 172 E CA 0.720 57.120 56.400 0.001 0.000 0.861 172 E CB -0.113 29.589 29.700 0.002 0.000 0.817 172 E HN 0.776 nan 8.360 nan 0.000 0.485 173 I N -0.460 120.109 120.570 -0.001 0.000 3.419 173 I HA 0.043 4.214 4.170 0.001 0.000 0.286 173 I C 2.150 178.263 176.117 -0.006 0.000 1.268 173 I CA 0.242 61.541 61.300 -0.002 0.000 1.414 173 I CB -0.350 37.650 38.000 -0.000 0.000 1.074 173 I HN 0.079 nan 8.210 nan 0.000 0.457 174 I N -0.777 119.789 120.570 -0.006 0.000 2.852 174 I HA 0.026 4.196 4.170 0.001 0.000 0.264 174 I C 1.948 178.060 176.117 -0.009 0.000 1.179 174 I CA 0.597 61.892 61.300 -0.009 0.000 1.480 174 I CB -0.278 37.717 38.000 -0.007 0.000 1.111 174 I HN -0.009 nan 8.210 nan 0.000 0.441 175 V N 1.591 121.501 119.914 -0.006 0.000 2.719 175 V HA -0.066 4.054 4.120 0.001 0.000 0.252 175 V C 2.540 178.628 176.094 -0.009 0.000 1.065 175 V CA 1.391 63.687 62.300 -0.007 0.000 1.086 175 V CB -0.710 31.111 31.823 -0.004 0.000 0.700 175 V HN 0.394 nan 8.190 nan 0.000 0.467 176 E N 0.985 121.180 120.200 -0.008 0.000 2.047 176 E HA -0.145 4.206 4.350 0.001 0.000 0.191 176 E C 2.352 178.943 176.600 -0.015 0.000 0.987 176 E CA 1.462 57.856 56.400 -0.010 0.000 0.799 176 E CB -0.229 29.467 29.700 -0.008 0.000 0.752 176 E HN 0.568 nan 8.360 nan 0.000 0.449 177 A N 1.010 123.820 122.820 -0.016 0.000 2.066 177 A HA -0.064 4.256 4.320 0.001 0.000 0.218 177 A C 2.435 180.005 177.584 -0.024 0.000 1.157 177 A CA 0.804 52.828 52.037 -0.022 0.000 0.670 177 A CB -0.220 18.767 19.000 -0.021 0.000 0.804 177 A HN 0.095 nan 8.150 nan 0.000 0.453 178 V N -1.007 118.895 119.914 -0.020 0.000 2.379 178 V HA -0.124 3.996 4.120 0.001 0.000 0.243 178 V C 2.386 178.468 176.094 -0.020 0.000 1.035 178 V CA 1.719 64.007 62.300 -0.020 0.000 1.035 178 V CB -1.046 30.768 31.823 -0.016 0.000 0.673 178 V HN 0.453 nan 8.190 nan 0.000 0.457 179 S N 0.299 115.989 115.700 -0.018 0.000 2.504 179 S HA -0.218 4.252 4.470 0.001 0.000 0.257 179 S C 1.785 176.371 174.600 -0.024 0.000 0.986 179 S CA 1.514 59.704 58.200 -0.018 0.000 0.965 179 S CB -0.349 62.843 63.200 -0.013 0.000 0.744 179 S HN 0.714 nan 8.310 nan 0.000 0.523 180 A N -0.061 122.741 122.820 -0.030 0.000 2.127 180 A HA 0.259 4.580 4.320 0.001 0.000 0.204 180 A C 2.086 179.634 177.584 -0.060 0.000 1.243 180 A CA 0.499 52.510 52.037 -0.043 0.000 0.887 180 A CB -0.247 18.729 19.000 -0.041 0.000 0.933 180 A HN 0.480 nan 8.150 nan 0.000 0.479 181 V N -1.733 118.149 119.914 -0.053 0.000 2.453 181 V HA 0.046 4.167 4.120 0.001 0.000 0.247 181 V C 1.328 177.397 176.094 -0.042 0.000 1.048 181 V CA 1.125 63.394 62.300 -0.052 0.000 1.049 181 V CB -1.095 30.704 31.823 -0.039 0.000 0.672 181 V HN 0.292 nan 8.190 nan 0.000 0.457 182 V N 4.587 124.482 119.914 -0.031 0.000 2.508 182 V HA 0.288 4.409 4.120 0.001 0.000 0.281 182 V C -0.323 175.760 176.094 -0.019 0.000 1.041 182 V CA -0.325 61.962 62.300 -0.021 0.000 1.016 182 V CB 0.392 32.206 31.823 -0.015 0.000 0.984 182 V HN 0.791 nan 8.190 nan 0.000 0.478 183 D N 4.360 124.753 120.400 -0.013 0.000 2.228 183 D HA 0.230 4.870 4.640 0.001 0.000 0.247 183 D C -0.029 176.270 176.300 -0.002 0.000 0.995 183 D CA -0.501 53.496 54.000 -0.006 0.000 0.903 183 D CB 1.543 42.344 40.800 0.003 0.000 1.205 183 D HN 0.602 nan 8.370 nan 0.000 0.459 184 D N 0.976 121.377 120.400 0.001 0.000 2.686 184 D HA -0.235 4.405 4.640 0.001 0.000 0.235 184 D C -0.145 176.154 176.300 -0.001 0.000 1.160 184 D CA 0.770 54.771 54.000 0.002 0.000 0.645 184 D CB -1.096 39.706 40.800 0.003 0.000 1.039 184 D HN 0.575 nan 8.370 nan 0.000 0.423 185 E N -0.027 120.172 120.200 -0.002 0.000 1.414 185 E HA -0.055 4.296 4.350 0.001 0.000 0.351 185 E C 0.654 177.253 176.600 -0.002 0.000 0.578 185 E CA 1.528 57.926 56.400 -0.003 0.000 1.318 185 E CB -0.962 28.736 29.700 -0.003 0.000 0.433 185 E HN 0.867 nan 8.360 nan 0.000 0.382 186 G N 3.190 111.988 108.800 -0.003 0.000 2.857 186 G HA2 -0.091 3.870 3.960 0.001 0.000 0.166 186 G HA3 -0.091 3.870 3.960 0.001 0.000 0.166 186 G C -0.559 174.339 174.900 -0.003 0.000 1.060 186 G CA -0.077 45.021 45.100 -0.003 0.000 0.976 186 G HN 0.539 nan 8.290 nan 0.000 0.549 187 K N -0.609 119.789 120.400 -0.004 0.000 2.594 187 K HA 0.595 4.915 4.320 0.001 0.000 0.262 187 K C -0.865 175.731 176.600 -0.006 0.000 0.954 187 K CA -0.392 55.893 56.287 -0.004 0.000 0.917 187 K CB 1.907 34.405 32.500 -0.003 0.000 1.343 187 K HN 1.054 nan 8.250 nan 0.000 0.428 188 V N 0.552 120.462 119.914 -0.007 0.000 2.852 188 V HA 0.534 4.655 4.120 0.001 0.000 0.300 188 V C -1.456 174.632 176.094 -0.010 0.000 1.205 188 V CA -0.776 61.518 62.300 -0.009 0.000 0.940 188 V CB 2.141 33.959 31.823 -0.010 0.000 1.047 188 V HN 0.810 nan 8.190 nan 0.000 0.429 189 D N 2.955 123.348 120.400 -0.013 0.000 2.517 189 D HA 0.344 4.984 4.640 0.001 0.000 0.263 189 D C 1.023 177.313 176.300 -0.016 0.000 1.233 189 D CA -0.513 53.479 54.000 -0.013 0.000 0.849 189 D CB 1.035 41.827 40.800 -0.014 0.000 1.261 189 D HN 0.543 nan 8.370 nan 0.000 0.516 190 K N 0.314 120.705 120.400 -0.014 0.000 1.989 190 K HA -0.331 3.990 4.320 0.001 0.000 0.230 190 K C 1.089 177.678 176.600 -0.019 0.000 0.983 190 K CA 1.608 57.885 56.287 -0.016 0.000 1.003 190 K CB -0.532 31.959 32.500 -0.014 0.000 0.756 190 K HN 0.296 nan 8.250 nan 0.000 0.465 191 D N 1.009 121.398 120.400 -0.018 0.000 2.133 191 D HA -0.145 4.496 4.640 0.001 0.000 0.192 191 D C 2.094 178.378 176.300 -0.026 0.000 1.001 191 D CA 1.322 55.309 54.000 -0.021 0.000 0.844 191 D CB -0.401 40.388 40.800 -0.018 0.000 0.944 191 D HN 0.286 nan 8.370 nan 0.000 0.447 192 L N 0.214 121.422 121.223 -0.026 0.000 2.211 192 L HA -0.158 4.182 4.340 0.001 0.000 0.216 192 L C 0.942 177.791 176.870 -0.036 0.000 1.092 192 L CA 0.614 55.435 54.840 -0.032 0.000 0.767 192 L CB -0.722 41.318 42.059 -0.031 0.000 0.894 192 L HN 0.044 nan 8.230 nan 0.000 0.437 193 I N 0.719 121.269 120.570 -0.033 0.000 2.282 193 I HA 0.149 4.319 4.170 0.001 0.000 0.290 193 I C 0.453 176.547 176.117 -0.038 0.000 1.090 193 I CA -0.186 61.093 61.300 -0.035 0.000 1.231 193 I CB 0.516 38.498 38.000 -0.030 0.000 1.434 193 I HN 0.054 nan 8.210 nan 0.000 0.487 194 K N 7.529 127.901 120.400 -0.046 0.000 2.202 194 K HA 0.455 4.775 4.320 0.001 0.000 0.264 194 K C -0.303 176.266 176.600 -0.053 0.000 1.010 194 K CA -0.410 55.845 56.287 -0.052 0.000 0.940 194 K CB 1.063 33.524 32.500 -0.064 0.000 0.983 194 K HN 0.678 nan 8.250 nan 0.000 0.475 195 I N 1.247 121.785 120.570 -0.052 0.000 2.698 195 I HA 0.282 4.452 4.170 0.001 0.000 0.276 195 I C -0.761 175.324 176.117 -0.053 0.000 1.166 195 I CA -0.932 60.339 61.300 -0.047 0.000 1.101 195 I CB 1.060 39.037 38.000 -0.039 0.000 1.305 195 I HN 0.464 nan 8.210 nan 0.000 0.526 196 E N 4.952 125.113 120.200 -0.065 0.000 2.338 196 E HA 0.319 4.669 4.350 0.001 0.000 0.272 196 E C -0.877 175.692 176.600 -0.050 0.000 1.029 196 E CA -0.037 56.319 56.400 -0.074 0.000 0.872 196 E CB 1.024 30.654 29.700 -0.117 0.000 1.015 196 E HN 0.555 nan 8.360 nan 0.000 0.417 197 K N 3.715 124.091 120.400 -0.040 0.000 2.521 197 K HA 0.451 4.771 4.320 0.001 0.000 0.248 197 K C -0.782 175.814 176.600 -0.006 0.000 0.978 197 K CA -0.772 55.503 56.287 -0.020 0.000 0.947 197 K CB 1.383 33.873 32.500 -0.017 0.000 1.165 197 K HN 0.071 nan 8.250 nan 0.000 0.445 198 K N 1.661 122.064 120.400 0.004 0.000 2.323 198 K HA 0.330 4.651 4.320 0.001 0.000 0.259 198 K C -0.475 176.142 176.600 0.028 0.000 0.947 198 K CA -0.648 55.652 56.287 0.021 0.000 0.819 198 K CB 1.954 34.475 32.500 0.034 0.000 1.109 198 K HN 0.642 nan 8.250 nan 0.000 0.429 199 S N 0.829 116.546 115.700 0.029 0.000 4.234 199 S HA -0.050 4.420 4.470 0.001 0.000 0.500 199 S C 0.566 175.185 174.600 0.032 0.000 1.062 199 S CA 1.560 59.778 58.200 0.030 0.000 0.852 199 S CB -0.383 62.834 63.200 0.029 0.000 1.045 199 S HN 0.931 nan 8.310 nan 0.000 0.429 200 G N 0.978 109.794 108.800 0.027 0.000 3.353 200 G HA2 0.531 4.491 3.960 0.001 0.000 0.682 200 G HA3 0.531 4.491 3.960 0.001 0.000 0.682 200 G C -0.368 174.547 174.900 0.025 0.000 1.192 200 G CA 0.053 45.168 45.100 0.026 0.000 1.111 200 G HN 2.072 nan 8.290 nan 0.000 0.493 201 A N 0.102 122.933 122.820 0.019 0.000 2.354 201 A HA 0.892 5.212 4.320 0.001 0.000 0.274 201 A C 0.175 177.767 177.584 0.013 0.000 1.011 201 A CA 0.759 52.806 52.037 0.017 0.000 0.527 201 A CB -0.667 18.344 19.000 0.018 0.000 1.620 201 A HN 2.455 nan 8.150 nan 0.000 0.743 202 S N -1.845 113.862 115.700 0.012 0.000 2.855 202 S HA 0.717 5.188 4.470 0.001 0.000 0.308 202 S C 1.197 175.803 174.600 0.011 0.000 1.077 202 S CA -0.020 58.186 58.200 0.010 0.000 0.896 202 S CB 0.578 63.781 63.200 0.006 0.000 1.339 202 S HN 1.378 nan 8.310 nan 0.000 0.602 203 I N 0.183 120.758 120.570 0.009 0.000 3.291 203 I HA 0.150 4.320 4.170 0.001 0.000 0.279 203 I C 0.251 176.373 176.117 0.009 0.000 1.294 203 I CA 0.781 62.086 61.300 0.009 0.000 1.428 203 I CB -0.423 37.581 38.000 0.007 0.000 1.070 203 I HN 0.309 nan 8.210 nan 0.000 0.478 204 D N 0.588 120.993 120.400 0.008 0.000 2.469 204 D HA -0.089 4.551 4.640 0.001 0.000 0.240 204 D C 1.686 177.992 176.300 0.011 0.000 1.087 204 D CA 0.492 54.496 54.000 0.008 0.000 0.876 204 D CB -0.113 40.691 40.800 0.005 0.000 1.160 204 D HN 0.226 nan 8.370 nan 0.000 0.497 205 D N 1.882 122.290 120.400 0.014 0.000 2.218 205 D HA -0.170 4.470 4.640 0.001 0.000 0.194 205 D C 0.714 177.028 176.300 0.023 0.000 1.007 205 D CA 1.379 55.390 54.000 0.019 0.000 0.879 205 D CB -0.531 40.280 40.800 0.018 0.000 0.918 205 D HN 0.215 nan 8.370 nan 0.000 0.449 206 T N -0.893 113.673 114.554 0.020 0.000 2.908 206 T HA 0.201 4.552 4.350 0.001 0.000 0.301 206 T C 0.060 174.772 174.700 0.020 0.000 1.019 206 T CA -0.092 62.019 62.100 0.019 0.000 1.152 206 T CB 0.624 69.499 68.868 0.012 0.000 0.966 206 T HN 0.491 nan 8.240 nan 0.000 0.540 207 E N 2.740 122.954 120.200 0.025 0.000 2.408 207 E HA 0.491 4.842 4.350 0.001 0.000 0.275 207 E C -1.505 175.109 176.600 0.023 0.000 0.935 207 E CA -1.300 55.116 56.400 0.027 0.000 0.775 207 E CB 1.361 31.087 29.700 0.044 0.000 1.277 207 E HN 0.494 nan 8.360 nan 0.000 0.455 208 L N 3.401 124.635 121.223 0.018 0.000 2.353 208 L HA 0.339 4.680 4.340 0.001 0.000 0.269 208 L C -0.347 176.533 176.870 0.016 0.000 1.085 208 L CA -0.500 54.346 54.840 0.009 0.000 0.938 208 L CB 0.197 42.257 42.059 0.001 0.000 1.312 208 L HN 0.551 nan 8.230 nan 0.000 0.429 209 I N 0.808 121.392 120.570 0.023 0.000 2.533 209 I HA 0.165 4.336 4.170 0.001 0.000 0.284 209 I C 0.553 176.676 176.117 0.010 0.000 1.109 209 I CA -0.199 61.123 61.300 0.037 0.000 1.412 209 I CB 0.553 38.589 38.000 0.060 0.000 1.396 209 I HN 0.554 nan 8.210 nan 0.000 0.543 210 K N 4.917 125.326 120.400 0.014 0.000 2.632 210 K HA 0.187 4.507 4.320 0.001 0.000 0.196 210 K C 0.790 177.386 176.600 -0.007 0.000 1.023 210 K CA 0.326 56.612 56.287 -0.002 0.000 1.098 210 K CB -0.140 32.352 32.500 -0.012 0.000 0.862 210 K HN 0.954 nan 8.250 nan 0.000 0.504 211 G N 0.356 109.153 108.800 -0.006 0.000 3.359 211 G HA2 0.370 4.330 3.960 0.001 0.000 0.187 211 G HA3 0.370 4.330 3.960 0.001 0.000 0.187 211 G C -1.056 173.811 174.900 -0.055 0.000 1.294 211 G CA -0.328 44.757 45.100 -0.024 0.000 0.769 211 G HN -0.007 nan 8.290 nan 0.000 0.733 212 V N 0.874 120.740 119.914 -0.080 0.000 2.525 212 V HA 0.474 4.594 4.120 0.001 0.000 0.299 212 V C -0.933 175.056 176.094 -0.175 0.000 1.034 212 V CA -0.421 61.800 62.300 -0.132 0.000 0.863 212 V CB 1.632 33.361 31.823 -0.158 0.000 0.999 212 V HN 0.477 nan 8.190 nan 0.000 0.423 213 L N 6.947 128.041 121.223 -0.214 0.000 2.283 213 L HA 0.572 4.913 4.340 0.001 0.000 0.281 213 L C 0.030 176.765 176.870 -0.224 0.000 1.033 213 L CA -0.456 54.195 54.840 -0.315 0.000 0.848 213 L CB 1.343 43.095 42.059 -0.511 0.000 1.226 213 L HN 0.664 nan 8.230 nan 0.000 0.429 214 V N 0.631 120.443 119.914 -0.171 0.000 3.295 214 V HA 0.377 4.497 4.120 0.001 0.000 0.308 214 V C 0.428 176.492 176.094 -0.049 0.000 1.068 214 V CA -0.435 61.807 62.300 -0.098 0.000 1.062 214 V CB 1.532 33.311 31.823 -0.072 0.000 1.162 214 V HN 0.561 nan 8.190 nan 0.000 0.456 215 D N -0.235 120.157 120.400 -0.013 0.000 2.339 215 D HA 0.177 4.817 4.640 0.001 0.000 0.217 215 D C 0.348 176.675 176.300 0.045 0.000 1.050 215 D CA 0.557 54.561 54.000 0.007 0.000 0.856 215 D CB 0.175 40.968 40.800 -0.011 0.000 0.922 215 D HN 0.563 nan 8.370 nan 0.000 0.518 216 K N 1.092 121.543 120.400 0.085 0.000 2.206 216 K HA 0.300 4.620 4.320 0.001 0.000 0.264 216 K C 0.276 176.942 176.600 0.111 0.000 0.967 216 K CA -0.477 55.870 56.287 0.100 0.000 0.844 216 K CB 2.540 35.089 32.500 0.082 0.000 1.099 216 K HN 0.018 nan 8.250 nan 0.000 0.441 217 E N 1.727 121.971 120.200 0.072 0.000 2.330 217 E HA 0.231 4.581 4.350 0.001 0.000 0.256 217 E C -0.398 176.216 176.600 0.024 0.000 1.146 217 E CA -0.709 55.723 56.400 0.055 0.000 0.945 217 E CB 1.013 30.738 29.700 0.042 0.000 1.182 217 E HN 0.218 nan 8.360 nan 0.000 0.480 218 R N 1.049 121.555 120.500 0.010 0.000 2.230 218 R HA 0.129 4.470 4.340 0.001 0.000 0.337 218 R C 0.960 177.247 176.300 -0.021 0.000 1.063 218 R CA -0.218 55.869 56.100 -0.022 0.000 0.935 218 R CB 0.559 30.842 30.300 -0.028 0.000 1.121 218 R HN 0.359 nan 8.270 nan 0.000 0.486 219 V N 1.607 121.508 119.914 -0.022 0.000 2.378 219 V HA -0.447 3.673 4.120 0.001 0.000 0.169 219 V C 0.769 176.854 176.094 -0.015 0.000 0.985 219 V CA 2.471 64.759 62.300 -0.020 0.000 1.533 219 V CB -0.442 31.365 31.823 -0.025 0.000 1.063 219 V HN 0.778 nan 8.190 nan 0.000 0.467 220 S N -2.044 113.640 115.700 -0.026 0.000 2.593 220 S HA 0.713 5.183 4.470 0.001 0.000 0.297 220 S C 0.516 175.096 174.600 -0.032 0.000 1.112 220 S CA -0.004 58.180 58.200 -0.026 0.000 1.043 220 S CB 1.853 65.030 63.200 -0.038 0.000 1.054 220 S HN 0.823 nan 8.310 nan 0.000 0.516 221 A N 2.856 125.659 122.820 -0.028 0.000 1.911 221 A HA 0.100 4.420 4.320 0.001 0.000 0.212 221 A C 1.885 179.449 177.584 -0.033 0.000 1.189 221 A CA 0.662 52.686 52.037 -0.022 0.000 0.639 221 A CB -0.888 18.105 19.000 -0.011 0.000 0.839 221 A HN 0.807 nan 8.150 nan 0.000 0.449 222 Q N -0.434 119.337 119.800 -0.049 0.000 2.377 222 Q HA -0.293 4.047 4.340 0.001 0.000 0.225 222 Q C 0.704 176.657 176.000 -0.077 0.000 1.097 222 Q CA 1.974 57.727 55.803 -0.083 0.000 0.985 222 Q CB -0.965 27.686 28.738 -0.145 0.000 1.071 222 Q HN 0.722 nan 8.270 nan 0.000 0.505 223 M N 1.993 121.551 119.600 -0.070 0.000 2.269 223 M HA 0.031 4.511 4.480 0.001 0.000 0.350 223 M C -2.007 174.264 176.300 -0.048 0.000 1.429 223 M CA -1.190 54.072 55.300 -0.062 0.000 1.063 223 M CB 0.290 32.852 32.600 -0.065 0.000 1.841 223 M HN -0.109 nan 8.290 nan 0.000 0.455 224 P HA -0.121 nan 4.420 nan 0.000 0.261 224 P C -0.356 176.928 177.300 -0.027 0.000 1.165 224 P CA 0.508 63.589 63.100 -0.031 0.000 0.759 224 P CB 0.388 32.072 31.700 -0.026 0.000 0.772 225 K N 3.380 123.768 120.400 -0.020 0.000 2.862 225 K HA 0.174 4.494 4.320 0.001 0.000 0.229 225 K C 0.098 176.693 176.600 -0.009 0.000 1.107 225 K CA 0.112 56.391 56.287 -0.014 0.000 1.222 225 K CB -0.611 31.882 32.500 -0.012 0.000 1.067 225 K HN 0.437 nan 8.250 nan 0.000 0.464 226 K N -1.620 118.776 120.400 -0.007 0.000 2.891 226 K HA 0.114 4.434 4.320 0.001 0.000 0.315 226 K C -1.976 174.623 176.600 -0.000 0.000 1.197 226 K CA -0.396 55.889 56.287 -0.003 0.000 0.974 226 K CB 0.316 32.809 32.500 -0.012 0.000 1.351 226 K HN -0.153 nan 8.250 nan 0.000 0.404 227 V N 3.197 123.117 119.914 0.010 0.000 2.808 227 V HA 0.441 4.561 4.120 0.001 0.000 0.308 227 V C 0.727 176.832 176.094 0.018 0.000 1.099 227 V CA -0.181 62.125 62.300 0.011 0.000 0.920 227 V CB 1.618 33.448 31.823 0.011 0.000 1.014 227 V HN 1.025 nan 8.190 nan 0.000 0.425 228 T N 0.119 114.680 114.554 0.013 0.000 3.160 228 T HA 0.077 4.427 4.350 0.001 0.000 0.210 228 T C 0.225 174.938 174.700 0.022 0.000 0.940 228 T CA 0.352 62.460 62.100 0.014 0.000 1.985 228 T CB 0.014 68.887 68.868 0.008 0.000 1.524 228 T HN 0.669 nan 8.240 nan 0.000 0.428 229 D N 2.606 123.017 120.400 0.019 0.000 2.380 229 D HA 0.543 5.183 4.640 0.001 0.000 0.230 229 D C -0.841 175.474 176.300 0.025 0.000 1.154 229 D CA 0.054 54.068 54.000 0.023 0.000 0.859 229 D CB 0.978 41.789 40.800 0.019 0.000 1.045 229 D HN 0.505 nan 8.370 nan 0.000 0.495 230 A N 2.719 125.561 122.820 0.035 0.000 2.343 230 A HA 0.455 4.775 4.320 0.001 0.000 0.316 230 A C -0.508 177.105 177.584 0.049 0.000 1.104 230 A CA -0.944 51.118 52.037 0.041 0.000 0.768 230 A CB 1.152 20.183 19.000 0.053 0.000 1.213 230 A HN 0.160 nan 8.150 nan 0.000 0.456 231 K N 2.479 122.904 120.400 0.041 0.000 2.244 231 K HA 0.477 4.797 4.320 0.001 0.000 0.263 231 K C -0.853 175.783 176.600 0.060 0.000 1.103 231 K CA -0.131 56.183 56.287 0.045 0.000 0.966 231 K CB -0.069 32.450 32.500 0.030 0.000 1.429 231 K HN 0.541 nan 8.250 nan 0.000 0.434 232 I N 1.969 122.595 120.570 0.093 0.000 2.496 232 I HA 0.174 4.345 4.170 0.001 0.000 0.285 232 I C 0.474 176.666 176.117 0.125 0.000 1.080 232 I CA -0.142 61.244 61.300 0.142 0.000 1.404 232 I CB 1.033 39.170 38.000 0.228 0.000 1.403 232 I HN 0.537 nan 8.210 nan 0.000 0.539 233 A N 7.725 130.619 122.820 0.123 0.000 2.290 233 A HA 0.761 5.081 4.320 0.001 0.000 0.310 233 A C -0.492 177.175 177.584 0.139 0.000 1.202 233 A CA -0.580 51.513 52.037 0.094 0.000 0.837 233 A CB 0.180 19.214 19.000 0.058 0.000 1.139 233 A HN 0.672 nan 8.150 nan 0.000 0.509 234 L N 3.278 124.564 121.223 0.106 0.000 2.287 234 L HA 0.501 4.841 4.340 0.001 0.000 0.287 234 L C -0.406 176.508 176.870 0.074 0.000 1.022 234 L CA -0.469 54.435 54.840 0.106 0.000 0.814 234 L CB 1.236 43.336 42.059 0.069 0.000 1.217 234 L HN 0.542 nan 8.230 nan 0.000 0.420 235 L N 4.908 126.181 121.223 0.083 0.000 2.470 235 L HA 0.202 4.542 4.340 0.001 0.000 0.256 235 L C 0.396 177.296 176.870 0.050 0.000 1.357 235 L CA 0.007 54.882 54.840 0.058 0.000 0.902 235 L CB 0.927 43.018 42.059 0.053 0.000 1.121 235 L HN 0.793 nan 8.230 nan 0.000 0.507 236 N N 0.918 119.643 118.700 0.040 0.000 2.354 236 N HA -0.073 4.667 4.740 0.001 0.000 0.179 236 N C 0.545 176.073 175.510 0.030 0.000 1.021 236 N CA 0.432 53.504 53.050 0.036 0.000 0.887 236 N CB 0.043 38.546 38.487 0.027 0.000 0.974 236 N HN 0.462 nan 8.380 nan 0.000 0.437 237 C N 1.811 121.127 119.300 0.027 0.000 2.285 237 C HA 0.795 5.256 4.460 0.001 0.000 0.335 237 C C 0.745 175.749 174.990 0.023 0.000 1.267 237 C CA -0.684 58.347 59.018 0.022 0.000 1.762 237 C CB -1.424 26.327 27.740 0.018 0.000 2.365 237 C HN 0.699 nan 8.230 nan 0.000 0.527 238 A N 5.031 127.864 122.820 0.022 0.000 2.453 238 A HA -0.175 4.145 4.320 0.001 0.000 0.271 238 A C 0.431 178.028 177.584 0.022 0.000 1.531 238 A CA 1.262 53.312 52.037 0.021 0.000 1.579 238 A CB -0.273 18.738 19.000 0.018 0.000 0.998 238 A HN 1.467 nan 8.150 nan 0.000 0.431 239 I N 0.570 121.154 120.570 0.024 0.000 3.936 239 I HA 0.112 4.282 4.170 0.001 0.000 0.330 239 I C 1.143 177.277 176.117 0.029 0.000 1.509 239 I CA 0.098 61.414 61.300 0.026 0.000 1.126 239 I CB -0.228 37.789 38.000 0.028 0.000 1.115 239 I HN 0.816 nan 8.210 nan 0.000 0.424 240 E N 1.902 122.117 120.200 0.025 0.000 1.800 240 E HA 0.031 4.381 4.350 0.001 0.000 0.262 240 E C -0.615 175.997 176.600 0.021 0.000 1.219 240 E CA 0.175 56.588 56.400 0.022 0.000 1.051 240 E CB 0.173 29.884 29.700 0.019 0.000 1.074 240 E HN 0.318 nan 8.360 nan 0.000 0.433 241 E N 2.016 122.230 120.200 0.024 0.000 2.355 241 E HA 0.243 4.594 4.350 0.001 0.000 0.261 241 E C -0.447 176.166 176.600 0.022 0.000 0.943 241 E CA -1.000 55.412 56.400 0.021 0.000 0.806 241 E CB 1.569 31.282 29.700 0.021 0.000 1.286 241 E HN 0.417 nan 8.360 nan 0.000 0.424 242 T N 0.380 114.945 114.554 0.019 0.000 2.799 242 T HA 0.385 4.735 4.350 0.001 0.000 0.296 242 T C 0.506 175.220 174.700 0.023 0.000 0.947 242 T CA -0.577 61.534 62.100 0.018 0.000 1.141 242 T CB 0.525 69.401 68.868 0.013 0.000 0.891 242 T HN 0.533 nan 8.240 nan 0.000 0.533 243 A N 3.754 126.588 122.820 0.024 0.000 2.632 243 A HA 0.419 4.739 4.320 0.001 0.000 0.229 243 A C 1.014 178.619 177.584 0.035 0.000 1.047 243 A CA 0.375 52.429 52.037 0.029 0.000 0.754 243 A CB -0.742 18.272 19.000 0.023 0.000 0.969 243 A HN 1.380 nan 8.150 nan 0.000 0.509 244 S N -0.417 115.314 115.700 0.053 0.000 3.983 244 S HA -0.151 4.320 4.470 0.001 0.000 0.638 244 S C 0.977 175.617 174.600 0.066 0.000 1.663 244 S CA 0.687 58.923 58.200 0.060 0.000 1.838 244 S CB -1.507 61.718 63.200 0.041 0.000 0.328 244 S HN 1.338 nan 8.310 nan 0.000 1.784 245 E N -0.159 120.068 120.200 0.046 0.000 3.449 245 E HA -0.401 3.949 4.350 0.001 0.000 0.438 245 E C 1.803 178.413 176.600 0.017 0.000 1.418 245 E CA 2.687 59.100 56.400 0.021 0.000 1.256 245 E CB -0.619 29.087 29.700 0.010 0.000 1.209 245 E HN 0.607 nan 8.360 nan 0.000 0.378 246 M N -0.614 118.996 119.600 0.016 0.000 2.192 246 M HA -0.315 4.165 4.480 0.001 0.000 0.245 246 M C 2.352 178.665 176.300 0.021 0.000 1.093 246 M CA 2.122 57.431 55.300 0.015 0.000 1.058 246 M CB -0.579 32.029 32.600 0.013 0.000 1.346 246 M HN 0.441 nan 8.290 nan 0.000 0.394 247 L N -0.100 121.146 121.223 0.039 0.000 2.044 247 L HA -0.098 4.243 4.340 0.001 0.000 0.205 247 L C 2.353 179.264 176.870 0.067 0.000 1.075 247 L CA 1.888 56.764 54.840 0.060 0.000 0.747 247 L CB -0.485 41.614 42.059 0.066 0.000 0.903 247 L HN 0.145 nan 8.230 nan 0.000 0.435 248 K N -1.018 119.411 120.400 0.048 0.000 2.155 248 K HA -0.128 4.192 4.320 0.001 0.000 0.203 248 K C 1.240 177.772 176.600 -0.113 0.000 1.052 248 K CA 1.279 57.521 56.287 -0.075 0.000 0.948 248 K CB 0.033 32.394 32.500 -0.232 0.000 0.728 248 K HN 0.325 nan 8.250 nan 0.000 0.448 249 D N 0.063 120.428 120.400 -0.059 0.000 2.347 249 D HA 0.012 4.652 4.640 0.001 0.000 0.213 249 D C 1.422 177.700 176.300 -0.037 0.000 0.985 249 D CA 0.640 54.607 54.000 -0.055 0.000 0.879 249 D CB 0.276 41.055 40.800 -0.036 0.000 0.919 249 D HN 0.244 nan 8.370 nan 0.000 0.526 250 M N -0.771 118.816 119.600 -0.020 0.000 2.435 250 M HA -0.019 4.461 4.480 0.001 0.000 0.265 250 M C 1.926 178.221 176.300 -0.008 0.000 1.104 250 M CA 0.386 55.681 55.300 -0.007 0.000 1.140 250 M CB 0.549 33.154 32.600 0.007 0.000 1.372 250 M HN -0.141 nan 8.290 nan 0.000 0.456 251 V N 0.257 120.162 119.914 -0.014 0.000 2.283 251 V HA -0.088 4.032 4.120 0.001 0.000 0.243 251 V C 2.494 178.562 176.094 -0.045 0.000 1.039 251 V CA 1.797 64.090 62.300 -0.011 0.000 1.016 251 V CB -1.362 30.478 31.823 0.028 0.000 0.650 251 V HN 0.477 nan 8.190 nan 0.000 0.449 252 A N -0.741 122.021 122.820 -0.096 0.000 2.272 252 A HA -0.201 4.120 4.320 0.001 0.000 0.213 252 A C 2.186 179.739 177.584 -0.052 0.000 1.183 252 A CA 1.495 53.478 52.037 -0.090 0.000 0.719 252 A CB -0.442 18.476 19.000 -0.137 0.000 0.771 252 A HN 0.535 nan 8.150 nan 0.000 0.484 253 E N -0.267 119.910 120.200 -0.037 0.000 2.190 253 E HA 0.021 4.371 4.350 0.001 0.000 0.191 253 E C 1.701 178.292 176.600 -0.014 0.000 0.978 253 E CA 0.495 56.882 56.400 -0.022 0.000 0.839 253 E CB -0.048 29.642 29.700 -0.017 0.000 0.787 253 E HN 0.728 nan 8.360 nan 0.000 0.473 254 I N 0.894 121.457 120.570 -0.012 0.000 2.676 254 I HA -0.196 3.974 4.170 0.001 0.000 0.259 254 I C 2.292 178.404 176.117 -0.008 0.000 1.194 254 I CA 0.908 62.205 61.300 -0.006 0.000 1.473 254 I CB 0.024 38.021 38.000 -0.004 0.000 1.096 254 I HN -0.079 nan 8.210 nan 0.000 0.443 255 K N 1.522 121.913 120.400 -0.014 0.000 2.379 255 K HA 0.174 4.494 4.320 0.001 0.000 0.194 255 K C 1.834 178.426 176.600 -0.013 0.000 1.031 255 K CA 0.876 57.155 56.287 -0.014 0.000 1.037 255 K CB 0.142 32.632 32.500 -0.017 0.000 0.824 255 K HN 0.131 nan 8.250 nan 0.000 0.516 256 A N 0.404 123.215 122.820 -0.015 0.000 1.968 256 A HA -0.082 4.239 4.320 0.001 0.000 0.217 256 A C 2.163 179.743 177.584 -0.007 0.000 1.169 256 A CA 1.604 53.633 52.037 -0.012 0.000 0.638 256 A CB -0.731 18.259 19.000 -0.015 0.000 0.812 256 A HN 0.500 nan 8.150 nan 0.000 0.446 257 S N -1.750 113.947 115.700 -0.005 0.000 2.327 257 S HA 0.352 4.822 4.470 0.001 0.000 0.213 257 S C 1.536 176.136 174.600 0.001 0.000 1.032 257 S CA 1.726 59.925 58.200 -0.001 0.000 0.960 257 S CB -0.234 62.967 63.200 0.002 0.000 0.900 257 S HN 1.061 nan 8.310 nan 0.000 0.469 258 G N 0.034 108.836 108.800 0.003 0.000 3.765 258 G HA2 0.438 4.399 3.960 0.001 0.000 0.153 258 G HA3 0.438 4.399 3.960 0.001 0.000 0.153 258 G C 0.147 175.051 174.900 0.007 0.000 1.286 258 G CA 0.169 45.273 45.100 0.006 0.000 0.814 258 G HN 0.877 nan 8.290 nan 0.000 0.772 259 A N 1.799 124.622 122.820 0.006 0.000 2.444 259 A HA 0.461 4.781 4.320 0.001 0.000 0.273 259 A C 1.239 178.821 177.584 -0.003 0.000 1.136 259 A CA 0.552 52.593 52.037 0.007 0.000 0.799 259 A CB 0.056 19.059 19.000 0.005 0.000 1.081 259 A HN 0.475 nan 8.150 nan 0.000 0.509 260 N N 1.943 120.641 118.700 -0.003 0.000 2.373 260 N HA 0.046 4.786 4.740 0.001 0.000 0.181 260 N C -0.384 175.108 175.510 -0.030 0.000 1.082 260 N CA 0.500 53.543 53.050 -0.013 0.000 0.885 260 N CB 0.172 38.654 38.487 -0.009 0.000 0.977 260 N HN 0.246 nan 8.380 nan 0.000 0.462 261 V N 0.888 120.789 119.914 -0.022 0.000 2.686 261 V HA 0.546 4.666 4.120 0.001 0.000 0.306 261 V C -1.183 174.865 176.094 -0.076 0.000 1.065 261 V CA -0.918 61.346 62.300 -0.059 0.000 0.894 261 V CB 2.044 33.882 31.823 0.024 0.000 1.004 261 V HN 0.186 nan 8.190 nan 0.000 0.424 262 L N 4.894 125.967 121.223 -0.249 0.000 2.562 262 L HA 0.681 5.022 4.340 0.001 0.000 0.266 262 L C -1.970 174.732 176.870 -0.280 0.000 0.949 262 L CA -0.081 54.680 54.840 -0.132 0.000 0.879 262 L CB 1.761 43.772 42.059 -0.079 0.000 1.278 262 L HN 0.550 nan 8.230 nan 0.000 0.404 263 F N 4.638 124.596 119.950 0.014 0.000 2.382 263 F HA 0.376 4.904 4.527 0.001 0.000 0.361 263 F C 0.401 176.207 175.800 0.011 0.000 1.109 263 F CA -0.774 57.234 58.000 0.012 0.000 1.031 263 F CB 1.190 40.197 39.000 0.011 0.000 1.234 263 F HN 0.559 nan 8.300 nan 0.000 0.445 264 C N 3.147 122.528 119.300 0.136 0.000 2.464 264 C HA 0.221 4.682 4.460 0.001 0.000 0.370 264 C C 1.788 176.828 174.990 0.083 0.000 1.267 264 C CA -0.609 58.460 59.018 0.085 0.000 1.781 264 C CB 0.426 28.195 27.740 0.048 0.000 2.431 264 C HN 1.076 nan 8.230 nan 0.000 0.556 265 Q N 2.518 122.358 119.800 0.067 0.000 2.118 265 Q HA -0.182 4.158 4.340 0.001 0.000 0.211 265 Q C 0.723 176.748 176.000 0.042 0.000 0.998 265 Q CA 1.765 57.598 55.803 0.050 0.000 0.872 265 Q CB 0.167 28.927 28.738 0.036 0.000 0.925 265 Q HN 0.858 nan 8.270 nan 0.000 0.414 266 K N -1.370 119.052 120.400 0.037 0.000 2.331 266 K HA 0.412 4.732 4.320 0.001 0.000 0.238 266 K C 0.186 176.804 176.600 0.029 0.000 1.058 266 K CA -0.283 56.022 56.287 0.029 0.000 0.871 266 K CB 0.761 33.276 32.500 0.024 0.000 1.292 266 K HN 0.217 nan 8.250 nan 0.000 0.470 267 G N 0.678 109.492 108.800 0.024 0.000 3.273 267 G HA2 -0.006 3.954 3.960 0.001 0.000 0.516 267 G HA3 -0.006 3.954 3.960 0.001 0.000 0.516 267 G C -0.044 174.869 174.900 0.020 0.000 1.281 267 G CA 0.131 45.243 45.100 0.021 0.000 1.201 267 G HN 0.468 nan 8.290 nan 0.000 0.743 268 I N -1.236 119.345 120.570 0.018 0.000 2.841 268 I HA 0.228 4.398 4.170 0.001 0.000 0.298 268 I C -0.703 175.426 176.117 0.019 0.000 1.304 268 I CA -0.867 60.445 61.300 0.019 0.000 1.019 268 I CB 2.286 40.295 38.000 0.015 0.000 1.282 268 I HN 0.515 nan 8.210 nan 0.000 0.432 269 D N 2.110 122.524 120.400 0.023 0.000 2.440 269 D HA 0.153 4.793 4.640 0.001 0.000 0.269 269 D C 0.592 176.901 176.300 0.015 0.000 1.249 269 D CA 0.217 54.228 54.000 0.019 0.000 1.055 269 D CB 0.912 41.726 40.800 0.023 0.000 1.104 269 D HN 0.525 nan 8.370 nan 0.000 0.561 270 D N -0.418 119.985 120.400 0.005 0.000 2.088 270 D HA -0.119 4.522 4.640 0.001 0.000 0.196 270 D C 1.942 178.236 176.300 -0.010 0.000 0.983 270 D CA 0.759 54.757 54.000 -0.003 0.000 0.846 270 D CB -0.566 40.230 40.800 -0.006 0.000 0.992 270 D HN 0.298 nan 8.370 nan 0.000 0.448 271 L N -0.092 121.107 121.223 -0.039 0.000 2.397 271 L HA -0.414 3.927 4.340 0.001 0.000 0.225 271 L C 1.899 178.744 176.870 -0.041 0.000 1.116 271 L CA 2.454 57.250 54.840 -0.073 0.000 0.850 271 L CB -0.258 41.720 42.059 -0.134 0.000 0.919 271 L HN 0.188 nan 8.230 nan 0.000 0.453 272 A N -2.003 120.851 122.820 0.057 0.000 1.924 272 A HA -0.074 4.246 4.320 0.001 0.000 0.211 272 A C 1.896 179.547 177.584 0.111 0.000 1.198 272 A CA 0.687 52.810 52.037 0.143 0.000 0.657 272 A CB -0.296 18.780 19.000 0.128 0.000 0.852 272 A HN 0.641 nan 8.150 nan 0.000 0.454 273 Q N -0.446 119.384 119.800 0.050 0.000 2.152 273 Q HA -0.268 4.073 4.340 0.001 0.000 0.206 273 Q C 1.995 177.998 176.000 0.004 0.000 0.985 273 Q CA 1.732 57.547 55.803 0.021 0.000 0.863 273 Q CB -0.630 28.109 28.738 0.002 0.000 0.904 273 Q HN 0.798 nan 8.270 nan 0.000 0.422 274 H N -0.365 118.655 119.070 -0.084 0.000 2.457 274 H HA -0.111 4.445 4.556 0.001 0.000 0.294 274 H C 1.164 176.421 175.328 -0.118 0.000 1.064 274 H CA 1.217 57.181 56.048 -0.139 0.000 1.330 274 H CB 0.160 29.786 29.762 -0.226 0.000 1.395 274 H HN 0.323 nan 8.280 nan 0.000 0.541 275 Y N 0.045 120.407 120.300 0.103 0.000 2.286 275 Y HA -0.113 4.437 4.550 0.001 0.000 0.293 275 Y C 2.633 178.513 175.900 -0.033 0.000 1.124 275 Y CA 0.289 58.420 58.100 0.052 0.000 1.178 275 Y CB -0.224 38.274 38.460 0.064 0.000 1.010 275 Y HN 0.164 nan 8.280 nan 0.000 0.536 276 L N -1.111 120.179 121.223 0.111 0.000 2.093 276 L HA -0.063 4.278 4.340 0.001 0.000 0.208 276 L C 2.055 178.911 176.870 -0.024 0.000 1.085 276 L CA 1.783 56.644 54.840 0.035 0.000 0.755 276 L CB -1.624 40.441 42.059 0.011 0.000 0.904 276 L HN 0.169 nan 8.230 nan 0.000 0.435 277 A N -1.680 121.094 122.820 -0.077 0.000 2.387 277 A HA 0.030 4.350 4.320 0.001 0.000 0.234 277 A C 2.166 179.634 177.584 -0.194 0.000 1.253 277 A CA -0.024 51.937 52.037 -0.126 0.000 0.894 277 A CB -0.002 18.908 19.000 -0.150 0.000 0.963 277 A HN 0.191 nan 8.150 nan 0.000 0.508 278 K N 0.126 120.415 120.400 -0.184 0.000 2.005 278 K HA -0.052 4.268 4.320 0.001 0.000 0.206 278 K C 1.677 178.262 176.600 -0.025 0.000 1.044 278 K CA 1.359 57.586 56.287 -0.100 0.000 0.942 278 K CB -0.049 32.456 32.500 0.008 0.000 0.727 278 K HN 0.497 nan 8.250 nan 0.000 0.439 279 E N -0.702 119.497 120.200 -0.001 0.000 2.118 279 E HA -0.112 4.238 4.350 0.001 0.000 0.195 279 E C 0.421 177.013 176.600 -0.013 0.000 0.992 279 E CA 1.061 57.459 56.400 -0.002 0.000 0.804 279 E CB 0.041 29.743 29.700 0.002 0.000 0.741 279 E HN 0.578 nan 8.360 nan 0.000 0.458 280 G N 0.858 109.644 108.800 -0.024 0.000 2.325 280 G HA2 -0.223 3.738 3.960 0.001 0.000 0.248 280 G HA3 -0.223 3.738 3.960 0.001 0.000 0.248 280 G C -0.043 174.840 174.900 -0.027 0.000 1.108 280 G CA -0.258 44.825 45.100 -0.029 0.000 0.881 280 G HN 0.124 nan 8.290 nan 0.000 0.494 281 I N 0.723 121.275 120.570 -0.030 0.000 2.496 281 I HA 0.311 4.481 4.170 0.001 0.000 0.285 281 I C 1.485 177.568 176.117 -0.057 0.000 1.080 281 I CA -0.465 60.812 61.300 -0.038 0.000 1.404 281 I CB 1.192 39.175 38.000 -0.029 0.000 1.403 281 I HN 0.260 nan 8.210 nan 0.000 0.539 282 V N 4.096 123.962 119.914 -0.080 0.000 3.036 282 V HA 0.927 5.047 4.120 0.001 0.000 0.308 282 V C 0.039 176.039 176.094 -0.158 0.000 1.070 282 V CA -0.329 61.903 62.300 -0.113 0.000 1.056 282 V CB 1.482 33.232 31.823 -0.122 0.000 1.084 282 V HN 0.933 nan 8.190 nan 0.000 0.471 283 A N 1.936 124.648 122.820 -0.180 0.000 2.605 283 A HA 0.964 5.285 4.320 0.001 0.000 0.294 283 A C -0.525 176.935 177.584 -0.207 0.000 1.062 283 A CA -0.325 51.583 52.037 -0.215 0.000 0.682 283 A CB 1.227 20.160 19.000 -0.111 0.000 1.278 283 A HN 2.422 nan 8.150 nan 0.000 0.410 284 A N 0.476 123.158 122.820 -0.229 0.000 2.413 284 A HA 0.945 5.265 4.320 0.001 0.000 0.307 284 A C -0.372 177.204 177.584 -0.014 0.000 1.087 284 A CA -0.615 51.364 52.037 -0.097 0.000 0.750 284 A CB 1.411 20.384 19.000 -0.045 0.000 1.296 284 A HN 1.663 nan 8.150 nan 0.000 0.423 285 R N 0.551 121.065 120.500 0.023 0.000 2.521 285 R HA 0.668 5.009 4.340 0.001 0.000 0.295 285 R C -0.059 176.265 176.300 0.040 0.000 1.183 285 R CA -0.202 55.914 56.100 0.026 0.000 0.957 285 R CB 0.142 30.449 30.300 0.012 0.000 1.171 285 R HN 0.866 nan 8.270 nan 0.000 0.494 286 R N 2.021 122.549 120.500 0.047 0.000 3.535 286 R HA -0.105 4.236 4.340 0.001 0.000 0.487 286 R C -0.548 175.783 176.300 0.051 0.000 0.901 286 R CA 0.722 56.847 56.100 0.042 0.000 1.245 286 R CB -1.654 28.665 30.300 0.030 0.000 1.949 286 R HN 0.476 nan 8.270 nan 0.000 0.493 287 V N 2.215 122.175 119.914 0.077 0.000 2.901 287 V HA -0.230 3.891 4.120 0.001 0.000 0.290 287 V C 1.099 177.224 176.094 0.051 0.000 1.326 287 V CA 1.199 63.551 62.300 0.087 0.000 1.395 287 V CB 0.042 31.963 31.823 0.163 0.000 0.849 287 V HN 0.118 nan 8.190 nan 0.000 0.504 288 K N 4.066 124.480 120.400 0.024 0.000 2.174 288 K HA 0.213 4.533 4.320 0.001 0.000 0.275 288 K C 1.142 177.743 176.600 0.001 0.000 1.015 288 K CA -0.642 55.651 56.287 0.010 0.000 0.933 288 K CB 1.211 33.714 32.500 0.004 0.000 1.025 288 K HN 0.596 nan 8.250 nan 0.000 0.463 289 K N 1.200 121.602 120.400 0.002 0.000 2.089 289 K HA -0.234 4.086 4.320 0.001 0.000 0.210 289 K C 1.859 178.452 176.600 -0.011 0.000 1.048 289 K CA 1.683 57.969 56.287 -0.001 0.000 0.926 289 K CB -0.015 32.487 32.500 0.003 0.000 0.714 289 K HN 0.545 nan 8.250 nan 0.000 0.448 290 S N 1.182 116.872 115.700 -0.016 0.000 2.456 290 S HA -0.202 4.268 4.470 0.001 0.000 0.232 290 S C 1.198 175.774 174.600 -0.041 0.000 1.046 290 S CA 2.159 60.344 58.200 -0.026 0.000 1.175 290 S CB -0.478 62.706 63.200 -0.026 0.000 1.129 290 S HN 0.405 nan 8.310 nan 0.000 0.420 291 D N 0.263 120.633 120.400 -0.050 0.000 2.384 291 D HA -0.015 4.625 4.640 0.001 0.000 0.222 291 D C 1.576 177.812 176.300 -0.107 0.000 0.976 291 D CA 0.315 54.265 54.000 -0.083 0.000 0.915 291 D CB -0.242 40.502 40.800 -0.093 0.000 0.896 291 D HN 0.186 nan 8.370 nan 0.000 0.523 292 M N 0.424 119.990 119.600 -0.057 0.000 2.059 292 M HA -0.119 4.361 4.480 0.001 0.000 0.259 292 M C 1.795 178.066 176.300 -0.049 0.000 1.072 292 M CA 1.609 56.883 55.300 -0.044 0.000 1.117 292 M CB -0.531 32.064 32.600 -0.008 0.000 1.320 292 M HN -0.059 nan 8.290 nan 0.000 0.408 293 E N -0.992 119.185 120.200 -0.039 0.000 2.208 293 E HA -0.157 4.194 4.350 0.001 0.000 0.193 293 E C 1.888 178.463 176.600 -0.043 0.000 0.988 293 E CA 0.857 57.238 56.400 -0.032 0.000 0.828 293 E CB 0.003 29.691 29.700 -0.021 0.000 0.763 293 E HN 0.455 nan 8.360 nan 0.000 0.478 294 K N 0.215 120.579 120.400 -0.061 0.000 2.148 294 K HA -0.062 4.258 4.320 0.001 0.000 0.204 294 K C 1.879 178.417 176.600 -0.103 0.000 1.050 294 K CA 0.806 57.047 56.287 -0.075 0.000 0.942 294 K CB 0.092 32.543 32.500 -0.081 0.000 0.724 294 K HN 0.108 nan 8.250 nan 0.000 0.446 295 L N 0.132 121.268 121.223 -0.144 0.000 2.270 295 L HA 0.052 4.393 4.340 0.001 0.000 0.210 295 L C 2.470 179.285 176.870 -0.092 0.000 1.104 295 L CA 0.400 55.133 54.840 -0.179 0.000 0.804 295 L CB -0.554 41.293 42.059 -0.352 0.000 0.937 295 L HN 0.110 nan 8.230 nan 0.000 0.450 296 A N 1.350 124.136 122.820 -0.057 0.000 1.944 296 A HA -0.339 3.981 4.320 0.001 0.000 0.222 296 A C 2.271 179.858 177.584 0.004 0.000 1.237 296 A CA 2.691 54.717 52.037 -0.019 0.000 0.668 296 A CB -0.430 18.564 19.000 -0.010 0.000 0.830 296 A HN 0.432 nan 8.150 nan 0.000 0.471 297 K N -1.261 119.139 120.400 0.000 0.000 2.276 297 K HA 0.439 4.759 4.320 0.001 0.000 0.198 297 K C 2.230 178.844 176.600 0.023 0.000 1.052 297 K CA 0.658 56.963 56.287 0.029 0.000 0.984 297 K CB -0.159 32.360 32.500 0.032 0.000 0.836 297 K HN 0.401 nan 8.250 nan 0.000 0.490 298 A N 1.423 124.233 122.820 -0.016 0.000 1.828 298 A HA -0.190 4.130 4.320 0.001 0.000 0.215 298 A C 2.337 179.924 177.584 0.006 0.000 1.203 298 A CA 2.542 54.567 52.037 -0.020 0.000 0.614 298 A CB -1.348 17.619 19.000 -0.055 0.000 0.844 298 A HN 0.403 nan 8.150 nan 0.000 0.445 299 T N -4.707 109.846 114.554 -0.001 0.000 3.014 299 T HA 0.409 4.759 4.350 0.001 0.000 0.263 299 T C 1.314 176.038 174.700 0.039 0.000 1.078 299 T CA 1.457 63.573 62.100 0.027 0.000 1.135 299 T CB 0.372 69.258 68.868 0.032 0.000 0.895 299 T HN 1.739 nan 8.240 nan 0.000 0.480 300 G N 0.782 109.604 108.800 0.036 0.000 2.370 300 G HA2 0.230 4.190 3.960 0.001 0.000 0.174 300 G HA3 0.230 4.190 3.960 0.001 0.000 0.174 300 G C 0.333 175.242 174.900 0.016 0.000 1.002 300 G CA -0.120 45.005 45.100 0.042 0.000 0.730 300 G HN 0.892 nan 8.290 nan 0.000 0.497 301 A N 0.292 123.123 122.820 0.017 0.000 2.577 301 A HA 0.427 4.747 4.320 0.001 0.000 0.233 301 A C 0.585 178.173 177.584 0.008 0.000 1.076 301 A CA 1.167 53.212 52.037 0.013 0.000 0.767 301 A CB -0.079 18.935 19.000 0.023 0.000 1.017 301 A HN 1.217 nan 8.150 nan 0.000 0.511 302 N N 0.519 119.224 118.700 0.008 0.000 3.044 302 N HA 0.356 5.096 4.740 0.001 0.000 0.254 302 N C -0.557 174.958 175.510 0.009 0.000 1.253 302 N CA -0.464 52.589 53.050 0.005 0.000 0.944 302 N CB 1.304 39.791 38.487 -0.000 0.000 1.217 302 N HN 0.673 nan 8.380 nan 0.000 0.498 303 V N 2.665 122.585 119.914 0.010 0.000 2.996 303 V HA -0.176 3.944 4.120 0.001 0.000 0.289 303 V C 0.397 176.499 176.094 0.013 0.000 1.171 303 V CA 0.227 62.534 62.300 0.012 0.000 1.298 303 V CB -1.001 30.827 31.823 0.008 0.000 0.803 303 V HN 0.590 nan 8.190 nan 0.000 0.448 304 I N 4.276 124.857 120.570 0.019 0.000 2.934 304 I HA 0.600 4.770 4.170 0.001 0.000 0.315 304 I C 1.354 177.482 176.117 0.017 0.000 0.997 304 I CA 0.079 61.389 61.300 0.017 0.000 1.184 304 I CB 1.245 39.256 38.000 0.018 0.000 1.400 304 I HN 0.738 nan 8.210 nan 0.000 0.549 305 T N 0.820 115.382 114.554 0.014 0.000 2.634 305 T HA -0.008 4.342 4.350 0.001 0.000 0.243 305 T C 0.936 175.645 174.700 0.015 0.000 1.121 305 T CA 0.957 63.064 62.100 0.013 0.000 1.315 305 T CB -0.315 68.559 68.868 0.011 0.000 0.944 305 T HN 0.757 nan 8.240 nan 0.000 0.402 306 N N -0.533 118.176 118.700 0.015 0.000 2.643 306 N HA 0.334 5.074 4.740 0.001 0.000 0.305 306 N C 1.228 176.750 175.510 0.019 0.000 1.283 306 N CA -0.448 52.611 53.050 0.016 0.000 0.946 306 N CB 0.744 39.239 38.487 0.013 0.000 1.149 306 N HN 0.446 nan 8.380 nan 0.000 0.600 307 I N 1.404 121.986 120.570 0.020 0.000 2.064 307 I HA -0.346 3.824 4.170 0.001 0.000 0.234 307 I C 1.543 177.669 176.117 0.014 0.000 1.019 307 I CA 1.843 63.154 61.300 0.019 0.000 1.301 307 I CB -0.115 37.897 38.000 0.019 0.000 1.017 307 I HN 0.586 nan 8.210 nan 0.000 0.392 308 K N 0.128 120.535 120.400 0.011 0.000 2.588 308 K HA -0.242 4.079 4.320 0.001 0.000 0.196 308 K C 0.980 177.584 176.600 0.007 0.000 1.044 308 K CA 1.552 57.843 56.287 0.007 0.000 0.934 308 K CB -0.403 32.101 32.500 0.006 0.000 0.773 308 K HN 0.507 nan 8.250 nan 0.000 0.489 309 D N -0.090 120.315 120.400 0.010 0.000 2.366 309 D HA 0.022 4.662 4.640 0.001 0.000 0.205 309 D C -0.174 176.132 176.300 0.010 0.000 1.022 309 D CA -0.135 53.871 54.000 0.009 0.000 0.868 309 D CB 0.260 41.066 40.800 0.010 0.000 0.953 309 D HN -0.055 nan 8.370 nan 0.000 0.514 310 L N 0.766 121.997 121.223 0.013 0.000 2.559 310 L HA 0.152 4.493 4.340 0.001 0.000 0.282 310 L C -0.135 176.741 176.870 0.011 0.000 1.232 310 L CA 0.891 55.740 54.840 0.016 0.000 0.885 310 L CB 0.056 42.125 42.059 0.017 0.000 1.131 310 L HN -0.124 nan 8.230 nan 0.000 0.498 311 S N 1.357 117.065 115.700 0.013 0.000 2.688 311 S HA 0.597 5.068 4.470 0.001 0.000 0.266 311 S C 0.169 174.776 174.600 0.011 0.000 1.061 311 S CA -0.180 58.026 58.200 0.009 0.000 0.844 311 S CB 0.641 63.846 63.200 0.007 0.000 1.103 311 S HN 0.798 nan 8.310 nan 0.000 0.471 312 A N 1.132 123.957 122.820 0.008 0.000 1.881 312 A HA 0.065 4.386 4.320 0.001 0.000 0.210 312 A C 1.938 179.527 177.584 0.008 0.000 1.239 312 A CA 1.124 53.166 52.037 0.008 0.000 0.629 312 A CB -0.833 18.171 19.000 0.006 0.000 0.906 312 A HN 0.774 nan 8.150 nan 0.000 0.460 313 Q N 0.680 120.483 119.800 0.005 0.000 2.096 313 Q HA -0.248 4.092 4.340 0.001 0.000 0.204 313 Q C 0.381 176.383 176.000 0.004 0.000 0.982 313 Q CA 2.306 58.110 55.803 0.002 0.000 0.850 313 Q CB -0.851 27.886 28.738 -0.002 0.000 0.901 313 Q HN 0.479 nan 8.270 nan 0.000 0.422 314 D N 1.560 121.964 120.400 0.007 0.000 2.417 314 D HA 0.038 4.678 4.640 0.001 0.000 0.240 314 D C -0.024 176.288 176.300 0.019 0.000 1.062 314 D CA 0.339 54.346 54.000 0.011 0.000 0.959 314 D CB -0.373 40.434 40.800 0.012 0.000 0.877 314 D HN 0.368 nan 8.370 nan 0.000 0.528 315 L N -2.485 118.750 121.223 0.020 0.000 2.379 315 L HA 0.696 5.036 4.340 0.001 0.000 0.269 315 L C 0.923 177.810 176.870 0.029 0.000 1.084 315 L CA -0.788 54.069 54.840 0.028 0.000 0.802 315 L CB 1.010 43.095 42.059 0.044 0.000 1.175 315 L HN -0.187 nan 8.230 nan 0.000 0.448 316 G N -0.435 108.390 108.800 0.041 0.000 2.795 316 G HA2 0.516 4.477 3.960 0.001 0.000 0.267 316 G HA3 0.516 4.477 3.960 0.001 0.000 0.267 316 G C -1.457 173.467 174.900 0.040 0.000 1.362 316 G CA -0.289 44.834 45.100 0.040 0.000 1.048 316 G HN 0.665 nan 8.290 nan 0.000 0.547 317 D N -0.668 119.757 120.400 0.042 0.000 2.365 317 D HA 0.534 5.174 4.640 0.001 0.000 0.235 317 D C -0.895 175.433 176.300 0.047 0.000 1.368 317 D CA -0.163 53.861 54.000 0.040 0.000 1.001 317 D CB 1.203 42.022 40.800 0.032 0.000 1.364 317 D HN 0.561 nan 8.370 nan 0.000 0.577 318 A N 1.702 124.554 122.820 0.054 0.000 2.359 318 A HA 0.645 4.965 4.320 0.001 0.000 0.303 318 A C 1.215 178.833 177.584 0.056 0.000 1.066 318 A CA -0.172 51.900 52.037 0.058 0.000 0.730 318 A CB 1.555 20.600 19.000 0.076 0.000 1.211 318 A HN 0.444 nan 8.150 nan 0.000 0.439 319 G N 0.732 109.561 108.800 0.048 0.000 2.469 319 G HA2 0.147 4.107 3.960 0.001 0.000 0.220 319 G HA3 0.147 4.107 3.960 0.001 0.000 0.220 319 G C 0.224 175.147 174.900 0.039 0.000 1.136 319 G CA 1.374 46.498 45.100 0.039 0.000 0.759 319 G HN 0.711 nan 8.290 nan 0.000 0.562 320 L N -0.600 120.654 121.223 0.052 0.000 2.676 320 L HA 0.454 4.794 4.340 0.001 0.000 0.262 320 L C -1.266 175.656 176.870 0.087 0.000 0.932 320 L CA -0.305 54.567 54.840 0.052 0.000 0.932 320 L CB 2.665 44.744 42.059 0.033 0.000 1.355 320 L HN -0.142 nan 8.230 nan 0.000 0.421 321 V N 3.195 123.160 119.914 0.085 0.000 2.385 321 V HA 0.515 4.636 4.120 0.001 0.000 0.277 321 V C -0.574 175.574 176.094 0.089 0.000 1.012 321 V CA -0.517 61.859 62.300 0.127 0.000 0.832 321 V CB 1.602 33.512 31.823 0.144 0.000 1.028 321 V HN 0.721 nan 8.190 nan 0.000 0.436 322 E N 3.073 123.326 120.200 0.088 0.000 2.244 322 E HA 0.262 4.613 4.350 0.001 0.000 0.260 322 E C -0.285 176.358 176.600 0.071 0.000 0.884 322 E CA -0.545 55.871 56.400 0.028 0.000 0.777 322 E CB 1.446 31.107 29.700 -0.064 0.000 1.197 322 E HN 0.706 nan 8.360 nan 0.000 0.416 323 E N 5.124 125.376 120.200 0.086 0.000 2.311 323 E HA -0.069 4.281 4.350 0.001 0.000 0.247 323 E C -0.735 175.904 176.600 0.066 0.000 1.215 323 E CA 0.474 56.940 56.400 0.109 0.000 0.957 323 E CB 0.263 30.009 29.700 0.075 0.000 1.020 323 E HN 0.354 nan 8.360 nan 0.000 0.461 324 R N 4.587 125.150 120.500 0.106 0.000 2.310 324 R HA 0.165 4.505 4.340 0.001 0.000 0.316 324 R C -0.348 176.002 176.300 0.085 0.000 1.004 324 R CA -0.612 55.485 56.100 -0.005 0.000 0.900 324 R CB 0.990 31.121 30.300 -0.282 0.000 1.152 324 R HN 0.296 nan 8.270 nan 0.000 0.513 325 K N 2.984 123.420 120.400 0.059 0.000 2.472 325 K HA 0.018 4.338 4.320 0.001 0.000 0.280 325 K C -0.306 176.339 176.600 0.075 0.000 1.028 325 K CA 0.609 56.936 56.287 0.066 0.000 1.045 325 K CB 0.432 32.955 32.500 0.039 0.000 0.902 325 K HN 0.475 nan 8.250 nan 0.000 0.478 326 I N 3.039 123.667 120.570 0.096 0.000 2.418 326 I HA 0.046 4.217 4.170 0.001 0.000 0.287 326 I C 0.136 176.290 176.117 0.063 0.000 1.008 326 I CA 0.010 61.367 61.300 0.095 0.000 1.104 326 I CB 1.527 39.619 38.000 0.153 0.000 1.264 326 I HN 0.852 nan 8.210 nan 0.000 0.438 327 S N 5.159 120.887 115.700 0.047 0.000 3.405 327 S HA -0.218 4.253 4.470 0.001 0.000 0.378 327 S C 1.110 175.730 174.600 0.033 0.000 1.012 327 S CA 1.321 59.543 58.200 0.036 0.000 1.144 327 S CB -1.859 61.363 63.200 0.035 0.000 0.903 327 S HN 2.365 nan 8.310 nan 0.000 0.470 328 G N 0.028 108.848 108.800 0.034 0.000 2.225 328 G HA2 -0.245 3.715 3.960 0.001 0.000 0.267 328 G HA3 -0.245 3.715 3.960 0.001 0.000 0.267 328 G C -0.403 174.517 174.900 0.033 0.000 1.024 328 G CA 0.474 45.593 45.100 0.031 0.000 0.784 328 G HN 0.888 nan 8.290 nan 0.000 0.507 329 D N -0.152 120.273 120.400 0.041 0.000 2.198 329 D HA 0.593 5.234 4.640 0.001 0.000 0.247 329 D C 0.281 176.618 176.300 0.061 0.000 1.010 329 D CA -0.002 54.024 54.000 0.044 0.000 0.880 329 D CB 1.382 42.204 40.800 0.036 0.000 1.209 329 D HN 0.248 nan 8.370 nan 0.000 0.451 330 S N 1.463 117.199 115.700 0.059 0.000 2.475 330 S HA 0.638 5.109 4.470 0.001 0.000 0.281 330 S C -0.072 174.585 174.600 0.095 0.000 1.198 330 S CA -0.952 57.296 58.200 0.079 0.000 1.063 330 S CB 0.427 63.669 63.200 0.070 0.000 0.972 330 S HN 0.466 nan 8.310 nan 0.000 0.486 331 M N 1.808 121.496 119.600 0.146 0.000 2.530 331 M HA 0.575 5.056 4.480 0.001 0.000 0.307 331 M C -1.262 175.179 176.300 0.235 0.000 1.161 331 M CA -0.812 54.575 55.300 0.145 0.000 0.903 331 M CB 1.348 33.980 32.600 0.053 0.000 1.711 331 M HN 0.425 nan 8.290 nan 0.000 0.451 332 I N 2.787 123.482 120.570 0.209 0.000 2.352 332 I HA 0.311 4.482 4.170 0.001 0.000 0.290 332 I C -0.975 175.312 176.117 0.284 0.000 1.036 332 I CA -0.165 61.316 61.300 0.301 0.000 1.336 332 I CB 0.505 38.735 38.000 0.382 0.000 1.407 332 I HN 0.516 nan 8.210 nan 0.000 0.497 333 F N 5.544 125.548 119.950 0.090 0.000 2.403 333 F HA 0.471 4.998 4.527 0.001 0.000 0.326 333 F C 0.487 176.328 175.800 0.068 0.000 1.081 333 F CA -0.628 57.404 58.000 0.054 0.000 1.041 333 F CB 1.596 40.619 39.000 0.038 0.000 1.234 333 F HN -0.014 nan 8.300 nan 0.000 0.503 334 V N 1.630 121.674 119.914 0.217 0.000 2.703 334 V HA 0.153 4.273 4.120 0.001 0.000 0.290 334 V C -0.228 175.924 176.094 0.096 0.000 1.035 334 V CA -0.612 61.761 62.300 0.121 0.000 1.185 334 V CB -0.166 31.668 31.823 0.018 0.000 1.178 334 V HN 0.824 nan 8.190 nan 0.000 0.562 335 E N 0.325 120.599 120.200 0.123 0.000 3.341 335 E HA 0.488 4.838 4.350 0.001 0.000 0.310 335 E C -0.106 176.531 176.600 0.061 0.000 0.616 335 E CA -0.977 55.474 56.400 0.086 0.000 2.067 335 E CB 0.418 30.185 29.700 0.112 0.000 2.001 335 E HN 0.134 nan 8.360 nan 0.000 0.503 336 E N -0.014 120.216 120.200 0.051 0.000 0.985 336 E HA -0.194 4.156 4.350 0.001 0.000 0.215 336 E C -1.010 175.611 176.600 0.035 0.000 0.760 336 E CA 0.046 56.468 56.400 0.037 0.000 0.626 336 E CB -1.091 28.627 29.700 0.030 0.000 0.985 336 E HN 0.312 nan 8.360 nan 0.000 0.259 337 C N 3.475 122.794 119.300 0.030 0.000 2.629 337 C HA 0.031 4.491 4.460 0.001 0.000 0.410 337 C C 2.052 177.064 174.990 0.036 0.000 1.339 337 C CA -0.666 58.370 59.018 0.030 0.000 1.810 337 C CB 0.700 28.452 27.740 0.020 0.000 2.549 337 C HN 0.694 nan 8.230 nan 0.000 0.589 338 K N 2.593 123.024 120.400 0.052 0.000 2.009 338 K HA -0.171 4.149 4.320 0.001 0.000 0.210 338 K C 0.808 177.466 176.600 0.097 0.000 1.049 338 K CA 1.830 58.158 56.287 0.068 0.000 0.929 338 K CB -0.083 32.459 32.500 0.071 0.000 0.714 338 K HN 0.888 nan 8.250 nan 0.000 0.440 339 H N 0.592 119.663 119.070 0.002 0.000 2.699 339 H HA 0.325 4.882 4.556 0.001 0.000 0.256 339 H C -2.834 172.492 175.328 -0.004 0.000 1.376 339 H CA -1.445 54.603 56.048 -0.001 0.000 1.549 339 H CB 1.352 31.114 29.762 -0.000 0.000 1.686 339 H HN 0.066 nan 8.280 nan 0.000 0.550 340 P HA 0.276 nan 4.420 nan 0.000 0.295 340 P C 0.124 177.300 177.300 -0.208 0.000 1.404 340 P CA -0.743 62.286 63.100 -0.118 0.000 0.939 340 P CB 1.516 33.174 31.700 -0.070 0.000 1.033 341 K N 1.540 121.817 120.400 -0.205 0.000 2.426 341 K HA 0.408 4.728 4.320 0.001 0.000 0.193 341 K C 0.625 177.178 176.600 -0.078 0.000 1.028 341 K CA -0.007 56.188 56.287 -0.153 0.000 1.047 341 K CB 0.484 32.930 32.500 -0.090 0.000 0.821 341 K HN 0.357 nan 8.250 nan 0.000 0.513 342 A N 1.109 123.891 122.820 -0.064 0.000 2.486 342 A HA 0.620 4.941 4.320 0.001 0.000 0.300 342 A C -1.434 176.120 177.584 -0.051 0.000 1.048 342 A CA -0.712 51.295 52.037 -0.049 0.000 0.696 342 A CB 2.491 21.467 19.000 -0.040 0.000 1.278 342 A HN 0.025 nan 8.150 nan 0.000 0.405 343 V N 2.177 122.062 119.914 -0.049 0.000 2.781 343 V HA 0.478 4.599 4.120 0.001 0.000 0.289 343 V C -0.581 175.484 176.094 -0.047 0.000 1.275 343 V CA -0.123 62.150 62.300 -0.046 0.000 0.936 343 V CB 1.767 33.565 31.823 -0.042 0.000 1.074 343 V HN 1.097 nan 8.190 nan 0.000 0.444 344 T N 7.836 122.356 114.554 -0.056 0.000 2.913 344 T HA 0.475 4.825 4.350 0.001 0.000 0.297 344 T C -0.066 174.602 174.700 -0.053 0.000 1.029 344 T CA -0.077 61.983 62.100 -0.066 0.000 1.104 344 T CB 1.045 69.855 68.868 -0.096 0.000 0.964 344 T HN 0.665 nan 8.240 nan 0.000 0.532 345 M N 3.339 122.908 119.600 -0.051 0.000 2.043 345 M HA 0.382 4.863 4.480 0.001 0.000 0.322 345 M C -0.637 175.640 176.300 -0.039 0.000 0.962 345 M CA -0.602 54.678 55.300 -0.034 0.000 0.927 345 M CB 1.040 33.623 32.600 -0.027 0.000 1.466 345 M HN 0.483 nan 8.290 nan 0.000 0.412 346 L N 5.993 127.196 121.223 -0.033 0.000 2.426 346 L HA 0.411 4.751 4.340 0.001 0.000 0.271 346 L C -0.950 175.915 176.870 -0.007 0.000 1.169 346 L CA 0.031 54.854 54.840 -0.029 0.000 0.836 346 L CB 0.474 42.530 42.059 -0.005 0.000 1.112 346 L HN 0.654 nan 8.230 nan 0.000 0.465 347 I N 3.886 124.452 120.570 -0.007 0.000 2.503 347 I HA 0.391 4.562 4.170 0.001 0.000 0.282 347 I C -0.624 175.499 176.117 0.010 0.000 1.059 347 I CA -0.756 60.545 61.300 0.001 0.000 1.081 347 I CB 1.214 39.211 38.000 -0.005 0.000 1.210 347 I HN 0.523 nan 8.210 nan 0.000 0.450 348 R N 4.191 124.702 120.500 0.018 0.000 2.457 348 R HA 0.907 5.247 4.340 0.001 0.000 0.284 348 R C 0.150 176.462 176.300 0.020 0.000 1.024 348 R CA -0.698 55.416 56.100 0.023 0.000 1.025 348 R CB 1.796 32.115 30.300 0.032 0.000 1.063 348 R HN 0.858 nan 8.270 nan 0.000 0.493 349 G N 0.438 109.251 108.800 0.022 0.000 2.725 349 G HA2 0.039 3.999 3.960 0.001 0.000 0.098 349 G HA3 0.039 3.999 3.960 0.001 0.000 0.098 349 G C 0.207 175.121 174.900 0.022 0.000 1.188 349 G CA 0.173 45.286 45.100 0.021 0.000 1.237 349 G HN 0.521 nan 8.290 nan 0.000 0.596 350 T N -1.741 112.828 114.554 0.025 0.000 3.246 350 T HA 0.320 4.671 4.350 0.001 0.000 0.231 350 T C 1.028 175.743 174.700 0.025 0.000 0.986 350 T CA 1.382 63.495 62.100 0.022 0.000 1.340 350 T CB -0.388 68.491 68.868 0.018 0.000 1.063 350 T HN 0.499 nan 8.240 nan 0.000 0.427 351 T N 1.822 116.397 114.554 0.035 0.000 2.817 351 T HA 0.267 4.617 4.350 0.001 0.000 0.293 351 T C 0.716 175.463 174.700 0.079 0.000 0.964 351 T CA -0.292 61.839 62.100 0.051 0.000 1.085 351 T CB 1.025 69.913 68.868 0.033 0.000 0.921 351 T HN 0.478 nan 8.240 nan 0.000 0.502 352 E N 1.513 121.753 120.200 0.066 0.000 2.617 352 E HA -0.349 4.002 4.350 0.001 0.000 0.258 352 E C 1.420 178.073 176.600 0.089 0.000 1.227 352 E CA 2.088 58.526 56.400 0.063 0.000 1.003 352 E CB -0.268 29.460 29.700 0.047 0.000 0.820 352 E HN 0.683 nan 8.360 nan 0.000 0.427 353 H N -0.563 118.507 119.070 0.001 0.000 2.299 353 H HA -0.033 4.523 4.556 0.001 0.000 0.302 353 H C 2.107 177.435 175.328 0.001 0.000 1.078 353 H CA 1.617 57.666 56.048 0.001 0.000 1.323 353 H CB 0.126 29.889 29.762 0.001 0.000 1.381 353 H HN 0.083 nan 8.280 nan 0.000 0.498 354 V N 1.744 121.737 119.914 0.131 0.000 2.720 354 V HA -0.219 3.901 4.120 0.001 0.000 0.256 354 V C 2.426 178.540 176.094 0.034 0.000 1.082 354 V CA 1.172 63.512 62.300 0.067 0.000 1.101 354 V CB -0.561 31.292 31.823 0.050 0.000 0.693 354 V HN 0.356 nan 8.190 nan 0.000 0.479 355 I N -0.123 120.465 120.570 0.029 0.000 2.233 355 I HA -0.151 4.020 4.170 0.001 0.000 0.243 355 I C 2.389 178.497 176.117 -0.016 0.000 1.093 355 I CA 1.424 62.728 61.300 0.006 0.000 1.380 355 I CB -0.545 37.458 38.000 0.005 0.000 1.067 355 I HN 0.273 nan 8.210 nan 0.000 0.413 356 E N 0.762 120.941 120.200 -0.034 0.000 2.268 356 E HA -0.238 4.113 4.350 0.001 0.000 0.195 356 E C 1.923 178.486 176.600 -0.063 0.000 0.995 356 E CA 0.906 57.267 56.400 -0.066 0.000 0.836 356 E CB 0.075 29.709 29.700 -0.110 0.000 0.763 356 E HN 0.446 nan 8.360 nan 0.000 0.491 357 E N 0.496 120.671 120.200 -0.042 0.000 2.016 357 E HA -0.143 4.207 4.350 0.001 0.000 0.190 357 E C 1.959 178.551 176.600 -0.013 0.000 0.985 357 E CA 1.316 57.703 56.400 -0.022 0.000 0.802 357 E CB -0.117 29.586 29.700 0.005 0.000 0.762 357 E HN 0.011 nan 8.360 nan 0.000 0.448 358 V N 1.463 121.373 119.914 -0.007 0.000 2.527 358 V HA -0.309 3.811 4.120 0.001 0.000 0.255 358 V C 2.440 178.526 176.094 -0.013 0.000 1.081 358 V CA 1.874 64.171 62.300 -0.006 0.000 1.092 358 V CB -1.271 30.552 31.823 -0.000 0.000 0.673 358 V HN 0.486 nan 8.190 nan 0.000 0.470 359 A N 0.145 122.953 122.820 -0.020 0.000 1.968 359 A HA -0.150 4.171 4.320 0.001 0.000 0.217 359 A C 2.416 179.984 177.584 -0.026 0.000 1.169 359 A CA 1.513 53.534 52.037 -0.026 0.000 0.638 359 A CB -0.378 18.602 19.000 -0.034 0.000 0.812 359 A HN 0.540 nan 8.150 nan 0.000 0.446 360 R N -0.567 119.917 120.500 -0.026 0.000 2.119 360 R HA 0.096 4.436 4.340 0.001 0.000 0.222 360 R C 2.105 178.397 176.300 -0.014 0.000 1.088 360 R CA 1.071 57.158 56.100 -0.022 0.000 0.984 360 R CB -0.268 30.017 30.300 -0.027 0.000 0.884 360 R HN 0.445 nan 8.270 nan 0.000 0.447 361 A N 0.367 123.181 122.820 -0.011 0.000 2.218 361 A HA 0.053 4.373 4.320 0.001 0.000 0.209 361 A C 2.025 179.606 177.584 -0.006 0.000 1.168 361 A CA 0.161 52.195 52.037 -0.005 0.000 0.804 361 A CB -0.018 18.983 19.000 0.001 0.000 0.834 361 A HN 0.153 nan 8.150 nan 0.000 0.482 362 V N -0.009 119.899 119.914 -0.009 0.000 2.307 362 V HA -0.199 3.921 4.120 0.001 0.000 0.245 362 V C 2.037 178.123 176.094 -0.014 0.000 1.045 362 V CA 2.777 65.070 62.300 -0.012 0.000 1.024 362 V CB -0.285 31.529 31.823 -0.014 0.000 0.651 362 V HN 0.556 nan 8.190 nan 0.000 0.449 363 D N -0.447 119.944 120.400 -0.016 0.000 2.137 363 D HA -0.107 4.534 4.640 0.001 0.000 0.202 363 D C 1.923 178.215 176.300 -0.013 0.000 0.970 363 D CA 1.230 55.221 54.000 -0.016 0.000 0.837 363 D CB -0.187 40.602 40.800 -0.019 0.000 0.981 363 D HN 0.513 nan 8.370 nan 0.000 0.475 364 D N 0.530 120.923 120.400 -0.011 0.000 2.087 364 D HA -0.170 4.471 4.640 0.001 0.000 0.192 364 D C 1.964 178.260 176.300 -0.006 0.000 0.993 364 D CA 1.448 55.443 54.000 -0.008 0.000 0.828 364 D CB -0.494 40.302 40.800 -0.006 0.000 0.968 364 D HN 0.176 nan 8.370 nan 0.000 0.448 365 A N 0.877 123.694 122.820 -0.006 0.000 2.032 365 A HA -0.156 4.164 4.320 0.001 0.000 0.221 365 A C 2.470 180.050 177.584 -0.007 0.000 1.165 365 A CA 1.279 53.313 52.037 -0.005 0.000 0.645 365 A CB -0.622 18.376 19.000 -0.004 0.000 0.807 365 A HN 0.194 nan 8.150 nan 0.000 0.453 366 V N -0.865 119.044 119.914 -0.010 0.000 2.871 366 V HA -0.026 4.094 4.120 0.001 0.000 0.256 366 V C 2.497 178.585 176.094 -0.010 0.000 1.082 366 V CA 1.403 63.697 62.300 -0.011 0.000 1.105 366 V CB -0.864 30.951 31.823 -0.014 0.000 0.713 366 V HN 0.583 nan 8.190 nan 0.000 0.473 367 G N 0.520 109.315 108.800 -0.009 0.000 2.508 367 G HA2 -0.119 3.841 3.960 0.001 0.000 0.212 367 G HA3 -0.119 3.841 3.960 0.001 0.000 0.212 367 G C 1.726 176.622 174.900 -0.006 0.000 1.206 367 G CA 1.097 46.193 45.100 -0.008 0.000 0.822 367 G HN 0.410 nan 8.290 nan 0.000 0.550 368 V N 0.940 120.851 119.914 -0.005 0.000 2.354 368 V HA -0.358 3.762 4.120 0.001 0.000 0.250 368 V C 2.440 178.532 176.094 -0.003 0.000 1.088 368 V CA 3.429 65.727 62.300 -0.003 0.000 1.104 368 V CB -1.286 30.536 31.823 -0.002 0.000 0.847 368 V HN 0.281 nan 8.190 nan 0.000 0.468 369 V N 0.868 120.780 119.914 -0.004 0.000 3.052 369 V HA 0.217 4.337 4.120 0.001 0.000 0.254 369 V C 2.827 178.918 176.094 -0.005 0.000 1.100 369 V CA 1.332 63.630 62.300 -0.004 0.000 1.112 369 V CB -0.984 30.836 31.823 -0.005 0.000 0.738 369 V HN 0.783 nan 8.190 nan 0.000 0.469 370 G N -0.999 107.797 108.800 -0.006 0.000 2.625 370 G HA2 -0.161 3.799 3.960 0.001 0.000 0.214 370 G HA3 -0.161 3.799 3.960 0.001 0.000 0.214 370 G C 1.351 176.248 174.900 -0.005 0.000 1.132 370 G CA 1.184 46.281 45.100 -0.006 0.000 0.782 370 G HN 0.571 nan 8.290 nan 0.000 0.538 371 C N -0.166 119.131 119.300 -0.004 0.000 2.513 371 C HA 0.114 4.575 4.460 0.001 0.000 0.292 371 C C 3.085 178.073 174.990 -0.002 0.000 1.359 371 C CA 1.219 60.235 59.018 -0.003 0.000 1.778 371 C CB -0.303 27.436 27.740 -0.003 0.000 2.180 371 C HN 0.542 nan 8.230 nan 0.000 0.509 372 T N -0.292 114.260 114.554 -0.002 0.000 3.100 372 T HA 0.177 4.528 4.350 0.001 0.000 0.253 372 T C 1.275 175.974 174.700 -0.002 0.000 1.118 372 T CA 0.741 62.840 62.100 -0.001 0.000 1.058 372 T CB -0.411 68.457 68.868 -0.000 0.000 0.953 372 T HN 0.570 nan 8.240 nan 0.000 0.515 373 I N -0.473 120.096 120.570 -0.003 0.000 3.339 373 I HA 0.246 4.416 4.170 0.001 0.000 0.285 373 I C 2.066 178.182 176.117 -0.003 0.000 1.201 373 I CA 0.111 61.409 61.300 -0.003 0.000 1.434 373 I CB -0.424 37.574 38.000 -0.004 0.000 1.152 373 I HN 0.204 nan 8.210 nan 0.000 0.443 374 E N 1.279 121.477 120.200 -0.003 0.000 2.158 374 E HA -0.014 4.336 4.350 0.001 0.000 0.191 374 E C -0.087 176.511 176.600 -0.002 0.000 0.982 374 E CA 0.646 57.045 56.400 -0.003 0.000 0.823 374 E CB 0.198 29.897 29.700 -0.003 0.000 0.766 374 E HN 0.321 nan 8.360 nan 0.000 0.468 375 D N -0.246 120.153 120.400 -0.002 0.000 2.462 375 D HA 0.140 4.780 4.640 0.001 0.000 0.245 375 D C 0.800 177.099 176.300 -0.001 0.000 1.122 375 D CA -0.153 53.846 54.000 -0.002 0.000 0.864 375 D CB 1.485 42.283 40.800 -0.002 0.000 1.098 375 D HN 0.071 nan 8.370 nan 0.000 0.541 376 G N 3.713 112.512 108.800 -0.001 0.000 2.869 376 G HA2 -0.356 3.604 3.960 0.001 0.000 0.236 376 G HA3 -0.356 3.604 3.960 0.001 0.000 0.236 376 G C 0.851 175.751 174.900 0.001 0.000 1.134 376 G CA 1.218 46.318 45.100 -0.000 0.000 0.748 376 G HN 0.379 nan 8.290 nan 0.000 0.644 377 R N -0.043 120.458 120.500 0.001 0.000 2.531 377 R HA 0.731 5.071 4.340 0.001 0.000 0.260 377 R C 0.253 176.555 176.300 0.003 0.000 1.144 377 R CA -0.397 55.705 56.100 0.002 0.000 1.171 377 R CB 0.385 30.686 30.300 0.002 0.000 1.199 377 R HN 0.764 nan 8.270 nan 0.000 0.594 378 I N -4.087 116.486 120.570 0.005 0.000 2.693 378 I HA 0.216 4.386 4.170 0.001 0.000 0.271 378 I C -1.457 174.667 176.117 0.012 0.000 1.408 378 I CA -0.830 60.475 61.300 0.007 0.000 1.179 378 I CB 1.542 39.546 38.000 0.007 0.000 1.497 378 I HN 0.229 nan 8.210 nan 0.000 0.434 379 V N 5.244 125.164 119.914 0.011 0.000 2.389 379 V HA 0.254 4.374 4.120 0.001 0.000 0.264 379 V C 1.100 177.207 176.094 0.021 0.000 1.049 379 V CA 0.240 62.550 62.300 0.017 0.000 0.932 379 V CB 1.559 33.392 31.823 0.016 0.000 1.011 379 V HN 0.863 nan 8.190 nan 0.000 0.475 380 S N 5.940 121.660 115.700 0.034 0.000 3.452 380 S HA -0.012 4.458 4.470 0.001 0.000 0.410 380 S C 1.078 175.697 174.600 0.032 0.000 1.076 380 S CA 0.453 58.677 58.200 0.040 0.000 1.538 380 S CB -0.604 62.642 63.200 0.076 0.000 1.006 380 S HN 1.205 nan 8.310 nan 0.000 0.576 381 G N 2.930 111.740 108.800 0.017 0.000 2.754 381 G HA2 0.191 4.152 3.960 0.001 0.000 0.228 381 G HA3 0.191 4.152 3.960 0.001 0.000 0.228 381 G C 1.092 175.995 174.900 0.006 0.000 1.016 381 G CA -0.079 45.026 45.100 0.008 0.000 0.898 381 G HN 1.785 nan 8.290 nan 0.000 0.463 382 G N -0.085 108.709 108.800 -0.009 0.000 2.295 382 G HA2 0.275 4.235 3.960 0.001 0.000 0.287 382 G HA3 0.275 4.235 3.960 0.001 0.000 0.287 382 G C 1.462 176.358 174.900 -0.007 0.000 1.055 382 G CA 0.955 46.041 45.100 -0.023 0.000 0.922 382 G HN 2.870 nan 8.290 nan 0.000 0.503 383 G N -1.868 106.934 108.800 0.003 0.000 2.204 383 G HA2 -0.042 3.919 3.960 0.001 0.000 0.244 383 G HA3 -0.042 3.919 3.960 0.001 0.000 0.244 383 G C 1.147 176.075 174.900 0.046 0.000 1.062 383 G CA 0.917 46.019 45.100 0.003 0.000 0.798 383 G HN 1.399 nan 8.290 nan 0.000 0.496 384 S N -0.852 114.908 115.700 0.101 0.000 2.329 384 S HA -0.038 4.433 4.470 0.001 0.000 0.215 384 S C 2.558 177.094 174.600 -0.107 0.000 1.031 384 S CA 2.036 60.413 58.200 0.295 0.000 0.985 384 S CB -0.239 63.203 63.200 0.402 0.000 0.917 384 S HN 0.625 nan 8.310 nan 0.000 0.441 385 T N 2.898 117.410 114.554 -0.070 0.000 2.788 385 T HA -0.089 4.261 4.350 0.001 0.000 0.268 385 T C 1.772 176.397 174.700 -0.125 0.000 1.044 385 T CA 1.210 63.244 62.100 -0.109 0.000 1.139 385 T CB -0.315 68.529 68.868 -0.040 0.000 0.867 385 T HN 0.426 nan 8.240 nan 0.000 0.454 386 E N 1.598 121.742 120.200 -0.094 0.000 2.007 386 E HA -0.100 4.250 4.350 0.001 0.000 0.194 386 E C 2.635 179.182 176.600 -0.088 0.000 0.999 386 E CA 1.395 57.752 56.400 -0.072 0.000 0.811 386 E CB -1.351 28.320 29.700 -0.050 0.000 0.762 386 E HN 0.561 nan 8.360 nan 0.000 0.450 387 V N 0.203 120.054 119.914 -0.106 0.000 2.594 387 V HA -0.196 3.925 4.120 0.001 0.000 0.253 387 V C 2.306 178.300 176.094 -0.166 0.000 1.069 387 V CA 2.159 64.397 62.300 -0.104 0.000 1.082 387 V CB -0.717 31.072 31.823 -0.057 0.000 0.680 387 V HN 0.076 nan 8.190 nan 0.000 0.469 388 E N 0.866 120.886 120.200 -0.300 0.000 2.033 388 E HA -0.025 4.326 4.350 0.001 0.000 0.189 388 E C 2.040 178.551 176.600 -0.150 0.000 0.979 388 E CA 1.262 57.478 56.400 -0.307 0.000 0.802 388 E CB -0.409 28.967 29.700 -0.539 0.000 0.763 388 E HN 0.572 nan 8.360 nan 0.000 0.449 389 L N 0.472 121.616 121.223 -0.131 0.000 2.083 389 L HA -0.181 4.160 4.340 0.001 0.000 0.209 389 L C 2.606 179.442 176.870 -0.057 0.000 1.083 389 L CA 1.445 56.237 54.840 -0.081 0.000 0.752 389 L CB -0.591 41.435 42.059 -0.055 0.000 0.899 389 L HN 0.256 nan 8.230 nan 0.000 0.433 390 S N 1.030 116.699 115.700 -0.052 0.000 2.344 390 S HA -0.259 4.211 4.470 0.001 0.000 0.217 390 S C 2.119 176.710 174.600 -0.016 0.000 1.033 390 S CA 1.767 59.951 58.200 -0.026 0.000 1.017 390 S CB -0.262 62.919 63.200 -0.032 0.000 0.941 390 S HN 0.481 nan 8.310 nan 0.000 0.430 391 M N -0.251 119.337 119.600 -0.021 0.000 2.435 391 M HA 0.010 4.491 4.480 0.001 0.000 0.262 391 M C 1.983 178.285 176.300 0.003 0.000 1.065 391 M CA 1.530 56.828 55.300 -0.004 0.000 1.076 391 M CB -0.426 32.173 32.600 -0.001 0.000 1.403 391 M HN 0.182 nan 8.290 nan 0.000 0.454 392 K N 1.193 121.587 120.400 -0.010 0.000 2.128 392 K HA 0.143 4.464 4.320 0.001 0.000 0.202 392 K C 1.896 178.514 176.600 0.031 0.000 1.050 392 K CA 0.865 57.153 56.287 0.001 0.000 0.966 392 K CB -0.010 32.474 32.500 -0.028 0.000 0.759 392 K HN 0.390 nan 8.250 nan 0.000 0.454 393 L N 0.394 121.621 121.223 0.007 0.000 2.395 393 L HA -0.000 4.340 4.340 0.001 0.000 0.218 393 L C 2.450 179.381 176.870 0.103 0.000 1.130 393 L CA 0.596 55.453 54.840 0.029 0.000 0.826 393 L CB -0.281 41.722 42.059 -0.092 0.000 0.941 393 L HN 0.095 nan 8.230 nan 0.000 0.451 394 R N 0.665 121.202 120.500 0.062 0.000 2.073 394 R HA -0.110 4.230 4.340 0.001 0.000 0.229 394 R C 1.998 178.332 176.300 0.057 0.000 1.120 394 R CA 1.158 57.290 56.100 0.052 0.000 0.967 394 R CB 0.061 30.378 30.300 0.030 0.000 0.862 394 R HN 0.367 nan 8.270 nan 0.000 0.436 395 E N -0.574 119.664 120.200 0.063 0.000 2.285 395 E HA -0.198 4.152 4.350 0.001 0.000 0.194 395 E C 1.419 178.056 176.600 0.062 0.000 0.997 395 E CA 0.759 57.189 56.400 0.049 0.000 0.845 395 E CB -0.018 29.706 29.700 0.040 0.000 0.782 395 E HN 0.463 nan 8.360 nan 0.000 0.491 396 Y N 1.114 121.402 120.300 -0.020 0.000 2.475 396 Y HA 0.084 4.635 4.550 0.001 0.000 0.289 396 Y C 2.100 177.987 175.900 -0.023 0.000 1.121 396 Y CA 0.756 58.841 58.100 -0.025 0.000 1.257 396 Y CB 0.010 38.447 38.460 -0.037 0.000 1.026 396 Y HN -0.041 nan 8.280 nan 0.000 0.555 397 A N 0.771 123.578 122.820 -0.021 0.000 1.840 397 A HA -0.140 4.180 4.320 0.001 0.000 0.214 397 A C 1.983 179.495 177.584 -0.119 0.000 1.198 397 A CA 1.661 53.660 52.037 -0.062 0.000 0.608 397 A CB -0.701 18.316 19.000 0.028 0.000 0.839 397 A HN 0.559 nan 8.150 nan 0.000 0.443 398 E N -0.011 120.146 120.200 -0.072 0.000 2.401 398 E HA -0.074 4.276 4.350 0.001 0.000 0.199 398 E C 1.864 178.405 176.600 -0.099 0.000 1.023 398 E CA 0.302 56.662 56.400 -0.067 0.000 0.859 398 E CB -0.341 29.338 29.700 -0.034 0.000 0.780 398 E HN 0.620 nan 8.360 nan 0.000 0.523 399 G N 3.204 111.907 108.800 -0.161 0.000 2.739 399 G HA2 -0.335 3.625 3.960 0.001 0.000 0.216 399 G HA3 -0.335 3.625 3.960 0.001 0.000 0.216 399 G C 1.528 176.294 174.900 -0.224 0.000 1.298 399 G CA 1.294 46.260 45.100 -0.224 0.000 0.804 399 G HN 0.379 nan 8.290 nan 0.000 0.623 400 I N -0.780 119.598 120.570 -0.320 0.000 2.280 400 I HA -0.194 3.977 4.170 0.001 0.000 0.226 400 I C 1.111 177.162 176.117 -0.110 0.000 0.970 400 I CA 2.413 63.583 61.300 -0.217 0.000 1.279 400 I CB -1.050 36.822 38.000 -0.214 0.000 0.984 400 I HN 0.826 nan 8.210 nan 0.000 0.382 401 S N -0.312 115.343 115.700 -0.074 0.000 2.814 401 S HA 0.310 4.780 4.470 0.001 0.000 0.857 401 S C -0.282 174.306 174.600 -0.019 0.000 0.866 401 S CA 0.514 58.689 58.200 -0.041 0.000 1.492 401 S CB -1.303 61.877 63.200 -0.032 0.000 1.072 401 S HN 2.537 nan 8.310 nan 0.000 0.223 402 G N 5.074 113.869 108.800 -0.008 0.000 2.418 402 G HA2 0.217 4.178 3.960 0.001 0.000 0.206 402 G HA3 0.217 4.178 3.960 0.001 0.000 0.206 402 G C 0.177 175.085 174.900 0.014 0.000 1.202 402 G CA 0.901 46.004 45.100 0.004 0.000 1.061 402 G HN 1.913 nan 8.290 nan 0.000 0.563 403 R N -1.205 119.309 120.500 0.022 0.000 3.937 403 R HA -0.274 4.066 4.340 0.001 0.000 0.317 403 R C 1.503 177.834 176.300 0.051 0.000 0.307 403 R CA 2.362 58.481 56.100 0.031 0.000 1.084 403 R CB -1.779 28.538 30.300 0.030 0.000 0.948 403 R HN 0.679 nan 8.270 nan 0.000 0.579 404 E N 2.454 122.684 120.200 0.049 0.000 2.515 404 E HA -0.051 4.299 4.350 0.001 0.000 0.201 404 E C 1.723 178.364 176.600 0.068 0.000 1.071 404 E CA 1.176 57.620 56.400 0.074 0.000 0.880 404 E CB -0.224 29.514 29.700 0.064 0.000 0.828 404 E HN 0.429 nan 8.360 nan 0.000 0.540 405 Q N 0.363 120.187 119.800 0.040 0.000 1.708 405 Q HA -0.263 4.077 4.340 0.001 0.000 0.378 405 Q C 0.946 176.984 176.000 0.064 0.000 1.010 405 Q CA 1.657 57.479 55.803 0.031 0.000 0.892 405 Q CB -0.094 28.654 28.738 0.015 0.000 0.954 405 Q HN 0.134 nan 8.270 nan 0.000 0.405 406 L N -0.322 120.942 121.223 0.069 0.000 3.210 406 L HA -0.427 3.913 4.340 0.001 0.000 0.221 406 L C 2.209 179.181 176.870 0.169 0.000 3.867 406 L CA 3.212 58.111 54.840 0.099 0.000 0.726 406 L CB -2.109 40.002 42.059 0.086 0.000 2.988 406 L HN 0.635 nan 8.230 nan 0.000 0.412 407 A N -1.477 121.493 122.820 0.249 0.000 1.929 407 A HA 0.041 4.362 4.320 0.001 0.000 0.216 407 A C 2.137 179.839 177.584 0.197 0.000 1.176 407 A CA 2.252 54.648 52.037 0.599 0.000 0.628 407 A CB -0.804 18.565 19.000 0.615 0.000 0.816 407 A HN 0.699 nan 8.150 nan 0.000 0.444 408 V N -2.689 117.282 119.914 0.094 0.000 2.667 408 V HA -0.054 4.066 4.120 0.001 0.000 0.252 408 V C 2.105 178.207 176.094 0.012 0.000 1.065 408 V CA 1.661 63.958 62.300 -0.006 0.000 1.083 408 V CB -0.823 31.064 31.823 0.106 0.000 0.692 408 V HN 0.453 nan 8.190 nan 0.000 0.468 409 R N 0.739 121.269 120.500 0.050 0.000 2.073 409 R HA 0.110 4.450 4.340 0.001 0.000 0.229 409 R C 2.512 178.840 176.300 0.047 0.000 1.120 409 R CA 1.463 57.593 56.100 0.050 0.000 0.967 409 R CB -0.608 29.729 30.300 0.061 0.000 0.862 409 R HN 0.608 nan 8.270 nan 0.000 0.436 410 A N 0.324 123.186 122.820 0.069 0.000 2.015 410 A HA -0.161 4.159 4.320 0.001 0.000 0.219 410 A C 1.729 179.333 177.584 0.033 0.000 1.163 410 A CA 0.897 52.986 52.037 0.086 0.000 0.646 410 A CB -0.431 18.689 19.000 0.200 0.000 0.806 410 A HN 0.338 nan 8.150 nan 0.000 0.448 411 F N 0.163 119.947 119.950 -0.277 0.000 2.710 411 F HA 0.335 4.862 4.527 0.001 0.000 0.298 411 F C 2.050 177.732 175.800 -0.197 0.000 1.137 411 F CA 0.044 57.825 58.000 -0.365 0.000 1.444 411 F CB -0.394 38.156 39.000 -0.750 0.000 1.111 411 F HN 0.245 nan 8.300 nan 0.000 0.580 412 A N -0.295 122.584 122.820 0.098 0.000 1.884 412 A HA 0.007 4.327 4.320 0.001 0.000 0.212 412 A C 2.007 179.600 177.584 0.016 0.000 1.265 412 A CA 0.983 53.054 52.037 0.056 0.000 0.626 412 A CB -1.039 17.980 19.000 0.031 0.000 0.943 412 A HN 0.180 nan 8.150 nan 0.000 0.466 413 D N 0.369 120.776 120.400 0.012 0.000 2.172 413 D HA -0.144 4.496 4.640 0.001 0.000 0.196 413 D C 1.993 178.279 176.300 -0.024 0.000 0.999 413 D CA 1.599 55.598 54.000 -0.001 0.000 0.856 413 D CB -0.143 40.663 40.800 0.009 0.000 0.934 413 D HN 0.381 nan 8.370 nan 0.000 0.453 414 A N -0.023 122.769 122.820 -0.046 0.000 2.016 414 A HA -0.013 4.307 4.320 0.001 0.000 0.217 414 A C 2.231 179.742 177.584 -0.123 0.000 1.162 414 A CA 0.230 52.210 52.037 -0.094 0.000 0.662 414 A CB -0.576 18.367 19.000 -0.095 0.000 0.812 414 A HN 0.286 nan 8.150 nan 0.000 0.450 415 L N -0.654 120.500 121.223 -0.115 0.000 2.588 415 L HA -0.262 4.079 4.340 0.001 0.000 0.229 415 L C 2.119 178.954 176.870 -0.059 0.000 1.158 415 L CA 1.852 56.645 54.840 -0.079 0.000 0.803 415 L CB -0.459 41.580 42.059 -0.034 0.000 0.926 415 L HN 0.604 nan 8.230 nan 0.000 0.450 416 E N -1.107 119.062 120.200 -0.051 0.000 2.421 416 E HA -0.036 4.314 4.350 0.001 0.000 0.209 416 E C 2.055 178.632 176.600 -0.038 0.000 0.871 416 E CA 0.043 56.420 56.400 -0.038 0.000 1.064 416 E CB 0.357 30.041 29.700 -0.027 0.000 1.075 416 E HN 0.109 nan 8.360 nan 0.000 0.513 417 V N 1.540 121.426 119.914 -0.045 0.000 2.370 417 V HA -0.290 3.831 4.120 0.001 0.000 0.252 417 V C 1.918 177.987 176.094 -0.042 0.000 1.068 417 V CA 1.561 63.836 62.300 -0.043 0.000 1.061 417 V CB -0.281 31.513 31.823 -0.048 0.000 0.656 417 V HN 0.362 nan 8.190 nan 0.000 0.455 418 I N 0.044 120.586 120.570 -0.046 0.000 2.206 418 I HA -0.039 4.131 4.170 0.001 0.000 0.239 418 I C 0.219 176.315 176.117 -0.036 0.000 1.078 418 I CA 1.474 62.749 61.300 -0.041 0.000 1.367 418 I CB -2.867 35.107 38.000 -0.044 0.000 1.078 418 I HN 0.342 nan 8.210 nan 0.000 0.413 419 P HA -0.208 nan 4.420 nan 0.000 0.218 419 P C 1.686 178.968 177.300 -0.029 0.000 1.150 419 P CA 1.606 64.688 63.100 -0.031 0.000 0.841 419 P CB -0.291 31.393 31.700 -0.026 0.000 0.784 420 R N -0.412 120.072 120.500 -0.027 0.000 2.093 420 R HA -0.073 4.268 4.340 0.001 0.000 0.224 420 R C 2.149 178.434 176.300 -0.024 0.000 1.101 420 R CA 1.975 58.061 56.100 -0.024 0.000 0.979 420 R CB -1.130 29.158 30.300 -0.021 0.000 0.877 420 R HN 0.173 nan 8.270 nan 0.000 0.441 421 T N -0.027 114.511 114.554 -0.026 0.000 2.867 421 T HA -0.028 4.323 4.350 0.001 0.000 0.268 421 T C 2.018 176.702 174.700 -0.025 0.000 1.057 421 T CA 1.001 63.086 62.100 -0.024 0.000 1.136 421 T CB -0.130 68.723 68.868 -0.024 0.000 0.874 421 T HN 0.265 nan 8.240 nan 0.000 0.466 422 L N 0.710 121.915 121.223 -0.031 0.000 2.156 422 L HA 0.159 4.499 4.340 0.001 0.000 0.208 422 L C 3.355 180.200 176.870 -0.042 0.000 1.095 422 L CA 0.892 55.709 54.840 -0.039 0.000 0.770 422 L CB -0.868 41.163 42.059 -0.048 0.000 0.914 422 L HN 0.376 nan 8.230 nan 0.000 0.439 423 A N 0.138 122.935 122.820 -0.037 0.000 1.927 423 A HA -0.286 4.034 4.320 0.001 0.000 0.220 423 A C 2.235 179.805 177.584 -0.022 0.000 1.185 423 A CA 2.154 54.173 52.037 -0.031 0.000 0.639 423 A CB -0.453 18.532 19.000 -0.025 0.000 0.820 423 A HN 0.464 nan 8.150 nan 0.000 0.451 424 E N -0.711 119.477 120.200 -0.019 0.000 2.086 424 E HA -0.105 4.246 4.350 0.001 0.000 0.190 424 E C 1.640 178.234 176.600 -0.010 0.000 0.975 424 E CA 0.577 56.969 56.400 -0.013 0.000 0.813 424 E CB -0.110 29.582 29.700 -0.013 0.000 0.768 424 E HN 0.596 nan 8.360 nan 0.000 0.457 425 N N 0.821 119.513 118.700 -0.013 0.000 2.258 425 N HA -0.170 4.570 4.740 0.001 0.000 0.187 425 N C 1.437 176.946 175.510 -0.002 0.000 1.012 425 N CA 1.183 54.228 53.050 -0.008 0.000 0.870 425 N CB -0.076 38.405 38.487 -0.010 0.000 0.977 425 N HN 0.092 nan 8.380 nan 0.000 0.434 426 A N -0.456 122.359 122.820 -0.009 0.000 2.195 426 A HA 0.449 4.770 4.320 0.001 0.000 0.210 426 A C 1.645 179.232 177.584 0.004 0.000 1.165 426 A CA 1.000 53.036 52.037 -0.002 0.000 0.806 426 A CB 0.111 19.100 19.000 -0.019 0.000 0.847 426 A HN 0.346 nan 8.150 nan 0.000 0.482 427 G N -1.821 106.979 108.800 -0.000 0.000 2.255 427 G HA2 -0.116 3.844 3.960 0.001 0.000 0.196 427 G HA3 -0.116 3.844 3.960 0.001 0.000 0.196 427 G C -0.011 174.889 174.900 -0.000 0.000 0.998 427 G CA 0.022 45.124 45.100 0.003 0.000 0.656 427 G HN 0.321 nan 8.290 nan 0.000 0.490 428 L N 1.855 123.076 121.223 -0.003 0.000 2.325 428 L HA 0.384 4.724 4.340 0.001 0.000 0.278 428 L C -0.375 176.491 176.870 -0.006 0.000 1.023 428 L CA -0.689 54.148 54.840 -0.004 0.000 0.811 428 L CB 1.335 43.389 42.059 -0.007 0.000 1.249 428 L HN 0.099 nan 8.230 nan 0.000 0.431 429 D N 3.032 123.429 120.400 -0.004 0.000 2.479 429 D HA -0.020 4.620 4.640 0.001 0.000 0.257 429 D C 0.987 177.282 176.300 -0.007 0.000 1.230 429 D CA 0.519 54.516 54.000 -0.004 0.000 0.912 429 D CB 1.414 42.212 40.800 -0.003 0.000 1.130 429 D HN 0.739 nan 8.370 nan 0.000 0.515 430 A N 5.030 127.845 122.820 -0.009 0.000 1.900 430 A HA -0.290 4.030 4.320 0.001 0.000 0.250 430 A C 2.071 179.651 177.584 -0.006 0.000 2.132 430 A CA 1.808 53.840 52.037 -0.009 0.000 0.861 430 A CB -0.838 18.156 19.000 -0.009 0.000 0.830 430 A HN 0.784 nan 8.150 nan 0.000 0.499 431 I N -0.238 120.329 120.570 -0.004 0.000 2.700 431 I HA -0.180 3.990 4.170 0.001 0.000 0.261 431 I C 1.837 177.953 176.117 -0.001 0.000 1.219 431 I CA 2.242 63.541 61.300 -0.002 0.000 1.463 431 I CB -0.626 37.373 38.000 -0.001 0.000 1.092 431 I HN 0.583 nan 8.210 nan 0.000 0.452 432 E N 1.008 121.208 120.200 -0.001 0.000 2.060 432 E HA -0.099 4.252 4.350 0.001 0.000 0.189 432 E C 2.267 178.867 176.600 -0.000 0.000 0.974 432 E CA 0.919 57.319 56.400 -0.000 0.000 0.808 432 E CB -0.039 29.662 29.700 0.001 0.000 0.768 432 E HN 0.500 nan 8.360 nan 0.000 0.453 433 I N 1.645 122.214 120.570 -0.002 0.000 2.163 433 I HA -0.266 3.904 4.170 0.001 0.000 0.243 433 I C 2.373 178.490 176.117 0.001 0.000 1.085 433 I CA 0.906 62.204 61.300 -0.003 0.000 1.347 433 I CB -0.181 37.814 38.000 -0.009 0.000 1.044 433 I HN 0.126 nan 8.210 nan 0.000 0.408 434 L N 0.050 121.273 121.223 -0.000 0.000 2.141 434 L HA -0.125 4.215 4.340 0.001 0.000 0.209 434 L C 2.495 179.370 176.870 0.007 0.000 1.094 434 L CA 1.502 56.344 54.840 0.002 0.000 0.763 434 L CB -0.862 41.195 42.059 -0.003 0.000 0.908 434 L HN 0.172 nan 8.230 nan 0.000 0.437 435 V N -0.536 119.382 119.914 0.006 0.000 2.871 435 V HA -0.166 3.954 4.120 0.001 0.000 0.256 435 V C 2.369 178.470 176.094 0.012 0.000 1.082 435 V CA 1.033 63.339 62.300 0.009 0.000 1.105 435 V CB -0.451 31.376 31.823 0.006 0.000 0.713 435 V HN 0.427 nan 8.190 nan 0.000 0.473 436 K N -0.139 120.267 120.400 0.010 0.000 2.076 436 K HA -0.027 4.294 4.320 0.001 0.000 0.204 436 K C 2.079 178.690 176.600 0.018 0.000 1.051 436 K CA 1.008 57.301 56.287 0.010 0.000 0.949 436 K CB -0.161 32.342 32.500 0.005 0.000 0.726 436 K HN 0.327 nan 8.250 nan 0.000 0.443 437 V N 1.305 121.234 119.914 0.026 0.000 2.283 437 V HA -0.166 3.954 4.120 0.001 0.000 0.243 437 V C 2.283 178.426 176.094 0.082 0.000 1.039 437 V CA 1.365 63.695 62.300 0.050 0.000 1.016 437 V CB -0.460 31.392 31.823 0.049 0.000 0.650 437 V HN 0.245 nan 8.190 nan 0.000 0.449 438 R N 0.072 120.608 120.500 0.059 0.000 2.112 438 R HA -0.256 4.084 4.340 0.001 0.000 0.242 438 R C 2.384 178.723 176.300 0.064 0.000 1.137 438 R CA 1.947 58.081 56.100 0.057 0.000 0.944 438 R CB -0.669 29.648 30.300 0.027 0.000 0.857 438 R HN 0.548 nan 8.270 nan 0.000 0.435 439 A N 0.492 123.338 122.820 0.043 0.000 1.930 439 A HA -0.082 4.238 4.320 0.001 0.000 0.217 439 A C 2.279 179.886 177.584 0.038 0.000 1.175 439 A CA 1.619 53.677 52.037 0.034 0.000 0.627 439 A CB -0.520 18.492 19.000 0.021 0.000 0.815 439 A HN 0.467 nan 8.150 nan 0.000 0.443 440 A N -1.517 121.324 122.820 0.035 0.000 1.969 440 A HA -0.141 4.179 4.320 0.001 0.000 0.218 440 A C 1.961 179.545 177.584 0.000 0.000 1.169 440 A CA 1.824 53.865 52.037 0.007 0.000 0.635 440 A CB -0.728 18.262 19.000 -0.016 0.000 0.810 440 A HN 0.754 nan 8.150 nan 0.000 0.445 441 H N -1.117 117.951 119.070 -0.004 0.000 2.415 441 H HA 0.230 4.786 4.556 0.001 0.000 0.297 441 H C 2.178 177.505 175.328 -0.002 0.000 1.048 441 H CA 0.808 56.854 56.048 -0.004 0.000 1.365 441 H CB 0.062 29.821 29.762 -0.006 0.000 1.421 441 H HN 0.468 nan 8.280 nan 0.000 0.533 442 A N -0.753 122.152 122.820 0.141 0.000 2.225 442 A HA -0.073 4.248 4.320 0.001 0.000 0.215 442 A C 1.925 179.539 177.584 0.050 0.000 1.164 442 A CA 1.584 53.670 52.037 0.082 0.000 0.710 442 A CB -0.105 18.925 19.000 0.051 0.000 0.780 442 A HN 0.372 nan 8.150 nan 0.000 0.473 443 S N -1.233 114.488 115.700 0.035 0.000 2.807 443 S HA 0.027 4.497 4.470 0.001 0.000 0.247 443 S C 1.588 176.187 174.600 -0.002 0.000 1.078 443 S CA 0.416 58.625 58.200 0.014 0.000 0.867 443 S CB -0.148 63.057 63.200 0.008 0.000 0.797 443 S HN 0.723 nan 8.310 nan 0.000 0.515 444 N N 0.867 119.549 118.700 -0.029 0.000 2.092 444 N HA 0.315 5.055 4.740 0.001 0.000 0.189 444 N C 0.693 176.173 175.510 -0.051 0.000 1.040 444 N CA 0.904 53.922 53.050 -0.053 0.000 0.845 444 N CB 0.101 38.532 38.487 -0.093 0.000 1.017 444 N HN 0.459 nan 8.380 nan 0.000 0.426 445 G N -0.727 108.029 108.800 -0.073 0.000 2.316 445 G HA2 -0.071 3.889 3.960 0.001 0.000 0.468 445 G HA3 -0.071 3.889 3.960 0.001 0.000 0.468 445 G C -0.049 174.852 174.900 0.002 0.000 1.523 445 G CA -0.229 44.868 45.100 -0.006 0.000 0.972 445 G HN 0.371 nan 8.290 nan 0.000 0.667 446 N N 0.380 119.190 118.700 0.183 0.000 1.313 446 N HA -0.444 4.296 4.740 0.001 0.000 0.108 446 N C 1.628 177.212 175.510 0.124 0.000 0.342 446 N CA 3.055 56.230 53.050 0.208 0.000 0.803 446 N CB -0.600 37.939 38.487 0.086 0.000 0.598 446 N HN 1.015 nan 8.380 nan 0.000 1.412 447 K N -0.769 119.640 120.400 0.014 0.000 2.458 447 K HA 0.287 4.608 4.320 0.001 0.000 0.194 447 K C 0.081 176.637 176.600 -0.073 0.000 1.024 447 K CA 0.575 56.856 56.287 -0.010 0.000 1.108 447 K CB 0.194 32.691 32.500 -0.006 0.000 0.846 447 K HN 0.594 nan 8.250 nan 0.000 0.518 448 C N 0.585 119.774 119.300 -0.185 0.000 3.495 448 C HA 0.812 5.272 4.460 0.001 0.000 0.201 448 C C -0.431 174.316 174.990 -0.405 0.000 1.408 448 C CA -0.364 58.519 59.018 -0.224 0.000 1.367 448 C CB -0.347 27.326 27.740 -0.111 0.000 1.845 448 C HN 0.361 nan 8.230 nan 0.000 0.500 449 A N 1.967 124.543 122.820 -0.406 0.000 2.913 449 A HA 0.636 4.956 4.320 0.001 0.000 0.284 449 A C 0.409 177.990 177.584 -0.005 0.000 1.273 449 A CA 0.433 52.323 52.037 -0.245 0.000 0.899 449 A CB -0.601 18.185 19.000 -0.357 0.000 1.444 449 A HN 1.561 nan 8.150 nan 0.000 0.586 450 G N -0.138 108.653 108.800 -0.015 0.000 2.661 450 G HA2 0.466 4.427 3.960 0.001 0.000 0.272 450 G HA3 0.466 4.427 3.960 0.001 0.000 0.272 450 G C -0.335 174.566 174.900 0.001 0.000 1.296 450 G CA -0.004 45.098 45.100 0.004 0.000 0.998 450 G HN 0.858 nan 8.290 nan 0.000 0.553 451 L N 0.401 121.609 121.223 -0.026 0.000 2.529 451 L HA 0.241 4.581 4.340 0.001 0.000 0.258 451 L C -0.008 176.802 176.870 -0.101 0.000 1.032 451 L CA -0.631 54.180 54.840 -0.049 0.000 0.899 451 L CB 1.304 43.339 42.059 -0.040 0.000 1.174 451 L HN 0.602 nan 8.230 nan 0.000 0.458 452 N N 0.569 119.209 118.700 -0.099 0.000 2.416 452 N HA 0.135 4.876 4.740 0.001 0.000 0.246 452 N C 1.136 176.501 175.510 -0.243 0.000 1.260 452 N CA 0.259 53.196 53.050 -0.189 0.000 0.897 452 N CB 1.396 39.819 38.487 -0.107 0.000 1.110 452 N HN 0.333 nan 8.380 nan 0.000 0.439 453 V N 0.256 119.873 119.914 -0.494 0.000 2.992 453 V HA 0.179 4.299 4.120 0.001 0.000 0.250 453 V C 1.179 177.133 176.094 -0.233 0.000 1.090 453 V CA 0.986 63.025 62.300 -0.436 0.000 1.101 453 V CB -0.858 30.585 31.823 -0.632 0.000 0.743 453 V HN 0.527 nan 8.190 nan 0.000 0.468 454 F N 0.968 120.919 119.950 0.001 0.000 2.505 454 F HA 0.285 4.812 4.527 0.001 0.000 0.289 454 F C 2.472 178.272 175.800 0.000 0.000 1.101 454 F CA 1.186 59.187 58.000 0.001 0.000 1.446 454 F CB -0.854 38.147 39.000 0.001 0.000 1.123 454 F HN 0.047 nan 8.300 nan 0.000 0.564 455 T N -1.412 113.249 114.554 0.179 0.000 3.040 455 T HA 0.291 4.641 4.350 0.001 0.000 0.252 455 T C 0.964 175.691 174.700 0.045 0.000 1.064 455 T CA 0.884 63.042 62.100 0.096 0.000 1.110 455 T CB -0.339 68.576 68.868 0.077 0.000 0.921 455 T HN 0.361 nan 8.240 nan 0.000 0.480 456 G N 1.664 110.473 108.800 0.016 0.000 2.587 456 G HA2 0.309 4.270 3.960 0.001 0.000 0.274 456 G HA3 0.309 4.270 3.960 0.001 0.000 0.274 456 G C -0.101 174.798 174.900 -0.002 0.000 1.046 456 G CA -0.230 44.869 45.100 -0.002 0.000 1.308 456 G HN 1.009 nan 8.290 nan 0.000 0.529 457 A N -0.372 122.440 122.820 -0.012 0.000 2.519 457 A HA 0.771 5.092 4.320 0.001 0.000 0.298 457 A C -0.250 177.327 177.584 -0.012 0.000 0.963 457 A CA -0.024 52.008 52.037 -0.007 0.000 0.624 457 A CB 0.303 19.304 19.000 0.001 0.000 1.356 457 A HN 1.980 nan 8.150 nan 0.000 0.441 458 V N 1.171 121.079 119.914 -0.010 0.000 2.455 458 V HA 0.639 4.759 4.120 0.001 0.000 0.273 458 V C 0.199 176.281 176.094 -0.020 0.000 1.045 458 V CA 0.023 62.315 62.300 -0.013 0.000 0.976 458 V CB 0.642 32.460 31.823 -0.008 0.000 0.993 458 V HN 1.027 nan 8.190 nan 0.000 0.475 459 E N 2.568 122.752 120.200 -0.026 0.000 2.383 459 E HA 0.248 4.599 4.350 0.001 0.000 0.275 459 E C -1.277 175.301 176.600 -0.037 0.000 0.918 459 E CA -0.847 55.538 56.400 -0.025 0.000 0.764 459 E CB 2.156 31.850 29.700 -0.010 0.000 1.252 459 E HN 0.501 nan 8.360 nan 0.000 0.449 460 D N 3.907 124.283 120.400 -0.039 0.000 2.554 460 D HA -0.090 4.550 4.640 0.001 0.000 0.251 460 D C 1.529 177.816 176.300 -0.020 0.000 1.213 460 D CA 0.214 54.190 54.000 -0.040 0.000 0.900 460 D CB 0.410 41.193 40.800 -0.029 0.000 1.135 460 D HN 0.576 nan 8.370 nan 0.000 0.522 461 M N 3.358 122.945 119.600 -0.022 0.000 4.036 461 M HA -0.315 4.165 4.480 0.001 0.000 0.305 461 M C 1.991 178.291 176.300 -0.001 0.000 1.038 461 M CA 1.611 56.908 55.300 -0.005 0.000 1.055 461 M CB -1.463 31.138 32.600 0.002 0.000 1.156 461 M HN 0.435 nan 8.290 nan 0.000 0.673 462 C N 0.895 120.193 119.300 -0.002 0.000 2.415 462 C HA -0.224 4.236 4.460 0.001 0.000 0.276 462 C C 2.382 177.372 174.990 -0.000 0.000 1.133 462 C CA 2.047 61.065 59.018 -0.001 0.000 1.878 462 C CB -1.748 25.989 27.740 -0.005 0.000 2.224 462 C HN 0.728 nan 8.230 nan 0.000 0.478 463 E N -1.115 119.084 120.200 -0.002 0.000 2.472 463 E HA 0.027 4.377 4.350 0.001 0.000 0.196 463 E C 1.489 178.094 176.600 0.008 0.000 1.033 463 E CA 0.175 56.575 56.400 -0.000 0.000 0.886 463 E CB 0.012 29.709 29.700 -0.004 0.000 0.944 463 E HN 0.756 nan 8.360 nan 0.000 0.492 464 N N -1.257 117.451 118.700 0.013 0.000 2.348 464 N HA 0.105 4.845 4.740 0.001 0.000 0.183 464 N C 1.102 176.627 175.510 0.026 0.000 1.094 464 N CA 0.367 53.432 53.050 0.025 0.000 0.885 464 N CB 1.288 39.796 38.487 0.035 0.000 1.065 464 N HN 0.157 nan 8.380 nan 0.000 0.472 465 G N 1.072 109.884 108.800 0.019 0.000 2.254 465 G HA2 -0.292 3.668 3.960 0.001 0.000 0.225 465 G HA3 -0.292 3.668 3.960 0.001 0.000 0.225 465 G C 0.450 175.362 174.900 0.019 0.000 1.003 465 G CA 0.174 45.285 45.100 0.017 0.000 0.622 465 G HN 0.284 nan 8.290 nan 0.000 0.507 466 V N 0.317 120.245 119.914 0.024 0.000 1.959 466 V HA 0.631 4.752 4.120 0.001 0.000 0.242 466 V C 0.546 176.649 176.094 0.016 0.000 1.613 466 V CA -0.350 61.965 62.300 0.026 0.000 1.566 466 V CB -0.074 31.770 31.823 0.035 0.000 1.547 466 V HN 0.519 nan 8.190 nan 0.000 0.503 467 V N 3.314 123.236 119.914 0.014 0.000 2.919 467 V HA 0.574 4.694 4.120 0.001 0.000 0.316 467 V C 0.139 176.239 176.094 0.010 0.000 1.077 467 V CA -0.810 61.497 62.300 0.012 0.000 0.977 467 V CB 2.258 34.087 31.823 0.011 0.000 1.039 467 V HN 0.847 nan 8.190 nan 0.000 0.441 468 E N 3.457 123.662 120.200 0.008 0.000 2.212 468 E HA 0.516 4.866 4.350 0.001 0.000 0.270 468 E C -2.697 173.906 176.600 0.005 0.000 0.956 468 E CA -1.979 54.425 56.400 0.006 0.000 0.825 468 E CB 1.693 31.395 29.700 0.004 0.000 1.167 468 E HN 0.373 nan 8.360 nan 0.000 0.400 469 P HA -0.113 nan 4.420 nan 0.000 0.278 469 P C 0.303 177.605 177.300 0.002 0.000 1.268 469 P CA -0.139 62.962 63.100 0.002 0.000 0.813 469 P CB 1.050 32.750 31.700 0.001 0.000 1.180 470 L N -1.569 119.655 121.223 0.001 0.000 2.653 470 L HA 0.203 4.543 4.340 0.001 0.000 0.230 470 L C 2.745 179.615 176.870 -0.001 0.000 1.055 470 L CA 0.304 55.145 54.840 0.000 0.000 0.880 470 L CB -0.087 41.972 42.059 0.000 0.000 1.195 470 L HN 0.273 nan 8.230 nan 0.000 0.492 471 R N 0.019 120.519 120.500 -0.001 0.000 2.235 471 R HA -0.109 4.232 4.340 0.001 0.000 0.213 471 R C 2.044 178.344 176.300 -0.001 0.000 1.059 471 R CA 1.360 57.459 56.100 -0.001 0.000 0.997 471 R CB 0.136 30.435 30.300 -0.002 0.000 0.884 471 R HN 0.377 nan 8.270 nan 0.000 0.462 472 V N -1.156 118.758 119.914 -0.001 0.000 2.719 472 V HA -0.040 4.081 4.120 0.001 0.000 0.252 472 V C 1.907 178.000 176.094 -0.000 0.000 1.065 472 V CA 1.175 63.474 62.300 -0.001 0.000 1.086 472 V CB -0.155 31.667 31.823 -0.001 0.000 0.700 472 V HN 0.093 nan 8.190 nan 0.000 0.467 473 K N 1.321 121.721 120.400 -0.000 0.000 2.031 473 K HA -0.073 4.248 4.320 0.001 0.000 0.205 473 K C 2.450 179.051 176.600 0.002 0.000 1.049 473 K CA 2.017 58.303 56.287 -0.001 0.000 0.939 473 K CB -0.729 31.770 32.500 -0.002 0.000 0.717 473 K HN 0.803 nan 8.250 nan 0.000 0.438 474 T N -0.548 114.007 114.554 0.001 0.000 2.643 474 T HA -0.196 4.154 4.350 0.001 0.000 0.264 474 T C 2.059 176.762 174.700 0.005 0.000 1.045 474 T CA 1.280 63.381 62.100 0.001 0.000 1.155 474 T CB -0.287 68.579 68.868 -0.002 0.000 0.863 474 T HN -0.002 nan 8.240 nan 0.000 0.420 475 Q N 1.406 121.209 119.800 0.005 0.000 2.137 475 Q HA 0.353 4.693 4.340 0.001 0.000 0.198 475 Q C 2.438 178.444 176.000 0.010 0.000 0.960 475 Q CA 1.475 57.282 55.803 0.007 0.000 0.847 475 Q CB -0.935 27.805 28.738 0.004 0.000 0.915 475 Q HN 0.686 nan 8.270 nan 0.000 0.448 476 A N 0.327 123.151 122.820 0.007 0.000 1.933 476 A HA -0.130 4.190 4.320 0.001 0.000 0.218 476 A C 1.893 179.485 177.584 0.013 0.000 1.175 476 A CA 1.588 53.629 52.037 0.007 0.000 0.628 476 A CB -0.757 18.244 19.000 0.001 0.000 0.814 476 A HN 0.500 nan 8.150 nan 0.000 0.444 477 I N -1.879 118.704 120.570 0.021 0.000 2.716 477 I HA -0.144 4.027 4.170 0.001 0.000 0.259 477 I C 2.351 178.507 176.117 0.065 0.000 1.172 477 I CA 0.718 62.045 61.300 0.045 0.000 1.478 477 I CB -0.675 37.359 38.000 0.056 0.000 1.104 477 I HN 0.318 nan 8.210 nan 0.000 0.439 478 Q N 1.379 121.206 119.800 0.044 0.000 1.946 478 Q HA -0.110 4.230 4.340 0.001 0.000 0.199 478 Q C 2.508 178.535 176.000 0.046 0.000 0.979 478 Q CA 1.680 57.510 55.803 0.044 0.000 0.834 478 Q CB -0.300 28.453 28.738 0.024 0.000 0.899 478 Q HN 0.305 nan 8.270 nan 0.000 0.431 479 S N 0.358 116.076 115.700 0.031 0.000 2.400 479 S HA -0.285 4.185 4.470 0.001 0.000 0.234 479 S C 1.887 176.506 174.600 0.031 0.000 1.049 479 S CA 1.400 59.615 58.200 0.026 0.000 1.039 479 S CB -0.314 62.896 63.200 0.016 0.000 0.856 479 S HN 0.503 nan 8.310 nan 0.000 0.465 480 A N 0.622 123.462 122.820 0.033 0.000 1.903 480 A HA 0.380 4.700 4.320 0.001 0.000 0.213 480 A C 2.329 179.946 177.584 0.055 0.000 1.185 480 A CA 1.386 53.441 52.037 0.030 0.000 0.628 480 A CB -1.089 17.916 19.000 0.008 0.000 0.830 480 A HN 0.540 nan 8.150 nan 0.000 0.446 481 A N 0.376 123.257 122.820 0.102 0.000 1.859 481 A HA -0.220 4.101 4.320 0.001 0.000 0.217 481 A C 1.866 179.552 177.584 0.170 0.000 1.198 481 A CA 1.764 53.918 52.037 0.196 0.000 0.629 481 A CB -0.574 18.611 19.000 0.308 0.000 0.830 481 A HN 0.552 nan 8.150 nan 0.000 0.446 482 E N -0.591 119.677 120.200 0.113 0.000 2.435 482 E HA -0.027 4.324 4.350 0.001 0.000 0.195 482 E C 1.998 178.634 176.600 0.060 0.000 1.029 482 E CA 0.724 57.173 56.400 0.082 0.000 0.865 482 E CB -0.032 29.702 29.700 0.058 0.000 0.833 482 E HN 0.536 nan 8.360 nan 0.000 0.510 483 S N 0.796 116.528 115.700 0.053 0.000 2.341 483 S HA -0.094 4.377 4.470 0.001 0.000 0.216 483 S C 2.211 176.832 174.600 0.035 0.000 1.034 483 S CA 1.606 59.827 58.200 0.035 0.000 0.964 483 S CB -0.169 63.047 63.200 0.026 0.000 0.882 483 S HN 0.417 nan 8.310 nan 0.000 0.469 484 T N 1.265 115.845 114.554 0.044 0.000 2.946 484 T HA -0.152 4.199 4.350 0.001 0.000 0.271 484 T C 1.645 176.374 174.700 0.048 0.000 1.104 484 T CA 1.552 63.678 62.100 0.043 0.000 1.114 484 T CB -0.585 68.303 68.868 0.033 0.000 0.867 484 T HN 0.764 nan 8.240 nan 0.000 0.513 485 E N 1.830 122.068 120.200 0.064 0.000 2.072 485 E HA -0.196 4.154 4.350 0.001 0.000 0.190 485 E C 2.318 178.927 176.600 0.015 0.000 0.982 485 E CA 0.944 57.368 56.400 0.040 0.000 0.803 485 E CB -0.528 29.204 29.700 0.054 0.000 0.755 485 E HN 0.606 nan 8.360 nan 0.000 0.453 486 M N 0.928 120.541 119.600 0.021 0.000 2.894 486 M HA -0.305 4.175 4.480 0.001 0.000 0.268 486 M C 2.114 178.417 176.300 0.006 0.000 1.054 486 M CA 2.128 57.436 55.300 0.014 0.000 1.062 486 M CB -0.395 32.213 32.600 0.015 0.000 1.242 486 M HN 0.293 nan 8.290 nan 0.000 0.508 487 L N -0.020 121.209 121.223 0.009 0.000 2.291 487 L HA -0.111 4.229 4.340 0.001 0.000 0.214 487 L C 2.350 179.219 176.870 -0.003 0.000 1.120 487 L CA 0.423 55.267 54.840 0.005 0.000 0.799 487 L CB -0.454 41.610 42.059 0.009 0.000 0.925 487 L HN 0.456 nan 8.230 nan 0.000 0.446 488 L N -0.275 120.942 121.223 -0.010 0.000 2.083 488 L HA -0.187 4.153 4.340 0.001 0.000 0.209 488 L C 2.395 179.240 176.870 -0.042 0.000 1.083 488 L CA 1.271 56.092 54.840 -0.032 0.000 0.752 488 L CB -0.393 41.636 42.059 -0.050 0.000 0.899 488 L HN 0.253 nan 8.230 nan 0.000 0.433 489 R N 0.559 121.040 120.500 -0.032 0.000 2.132 489 R HA -0.172 4.168 4.340 0.001 0.000 0.134 489 R C 0.639 176.929 176.300 -0.016 0.000 0.590 489 R CA 0.804 56.889 56.100 -0.026 0.000 1.508 489 R CB -1.560 28.724 30.300 -0.026 0.000 0.504 489 R HN 0.093 nan 8.270 nan 0.000 0.650 490 I N 2.975 123.544 120.570 -0.001 0.000 2.750 490 I HA -0.214 3.956 4.170 0.001 0.000 0.126 490 I C -0.187 175.937 176.117 0.013 0.000 0.884 490 I CA 1.403 62.708 61.300 0.008 0.000 2.785 490 I CB -0.526 37.479 38.000 0.008 0.000 0.570 490 I HN 0.890 nan 8.210 nan 0.000 0.352 491 D N 4.968 125.382 120.400 0.023 0.000 2.881 491 D HA 0.223 4.864 4.640 0.001 0.000 0.325 491 D C -0.627 175.701 176.300 0.047 0.000 1.621 491 D CA -0.285 53.733 54.000 0.030 0.000 0.785 491 D CB 0.345 41.156 40.800 0.018 0.000 1.233 491 D HN 0.550 nan 8.370 nan 0.000 0.447 492 D N -0.034 120.397 120.400 0.050 0.000 2.726 492 D HA 0.200 4.841 4.640 0.001 0.000 0.203 492 D C -1.425 174.909 176.300 0.056 0.000 1.297 492 D CA -0.413 53.620 54.000 0.056 0.000 0.863 492 D CB 1.912 42.733 40.800 0.035 0.000 1.669 492 D HN -0.098 nan 8.370 nan 0.000 0.561 493 V N 4.204 124.169 119.914 0.086 0.000 2.275 493 V HA 0.458 4.578 4.120 0.001 0.000 0.272 493 V C 0.585 176.714 176.094 0.059 0.000 1.028 493 V CA -0.720 61.635 62.300 0.092 0.000 0.810 493 V CB 0.540 32.445 31.823 0.137 0.000 1.043 493 V HN 0.468 nan 8.190 nan 0.000 0.453 494 I N 3.816 124.395 120.570 0.015 0.000 2.337 494 I HA 0.793 4.963 4.170 0.001 0.000 0.291 494 I C 0.485 176.602 176.117 0.000 0.000 1.046 494 I CA -0.001 61.293 61.300 -0.011 0.000 1.324 494 I CB 0.993 38.980 38.000 -0.022 0.000 1.409 494 I HN 0.683 nan 8.210 nan 0.000 0.494 495 A N 5.240 128.064 122.820 0.008 0.000 2.606 495 A HA 1.010 5.330 4.320 0.001 0.000 0.293 495 A C -1.145 176.451 177.584 0.020 0.000 1.082 495 A CA -0.422 51.624 52.037 0.016 0.000 0.685 495 A CB 2.108 21.125 19.000 0.029 0.000 1.284 495 A HN 1.092 nan 8.150 nan 0.000 0.408 496 A N 0.434 123.263 122.820 0.016 0.000 2.586 496 A HA 0.727 5.048 4.320 0.001 0.000 0.298 496 A C -0.542 177.044 177.584 0.004 0.000 1.013 496 A CA 0.711 52.753 52.037 0.009 0.000 0.707 496 A CB 0.351 19.352 19.000 0.001 0.000 1.276 496 A HN 2.399 nan 8.150 nan 0.000 0.414 497 E N 0.000 120.204 120.200 0.006 0.000 2.725 497 E HA 0.000 4.350 4.350 0.001 0.000 0.291 497 E CA 0.000 56.401 56.400 0.002 0.000 0.976 497 E CB 0.000 29.703 29.700 0.004 0.000 0.812 497 E HN 0.000 nan 8.360 nan 0.000 0.440