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_M 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 -0.017 0.000 1.182 7 V CA 0.000 62.291 62.300 -0.014 0.000 1.235 7 V CB 0.000 31.817 31.823 -0.011 0.000 1.184 8 L N 0.497 121.708 121.223 -0.020 0.000 4.467 8 L HA 0.563 4.903 4.340 0.001 0.000 0.251 8 L C -1.723 175.131 176.870 -0.027 0.000 1.070 8 L CA -0.798 54.029 54.840 -0.023 0.000 1.338 8 L CB -0.900 41.143 42.059 -0.026 0.000 1.985 8 L HN 0.104 nan 8.230 nan 0.000 0.676 9 P HA -0.291 nan 4.420 nan 0.000 0.299 9 P C 0.204 177.490 177.300 -0.024 0.000 1.967 9 P CA 0.444 63.532 63.100 -0.020 0.000 1.763 9 P CB 0.475 32.163 31.700 -0.019 0.000 0.242 10 E N 1.475 121.663 120.200 -0.020 0.000 2.127 10 E HA -0.066 4.284 4.350 0.001 0.000 0.295 10 E C 0.924 177.512 176.600 -0.020 0.000 1.155 10 E CA 0.715 57.104 56.400 -0.017 0.000 1.201 10 E CB -0.854 28.838 29.700 -0.014 0.000 1.083 10 E HN 0.576 nan 8.360 nan 0.000 0.472 11 N N 2.553 121.239 118.700 -0.024 0.000 2.460 11 N HA -0.182 4.559 4.740 0.001 0.000 0.282 11 N C -0.325 175.164 175.510 -0.035 0.000 1.657 11 N CA 0.403 53.438 53.050 -0.025 0.000 3.291 11 N CB -0.896 37.581 38.487 -0.018 0.000 1.513 11 N HN 0.197 nan 8.380 nan 0.000 1.133 12 M N 1.401 120.972 119.600 -0.048 0.000 3.972 12 M HA -0.165 4.315 4.480 0.001 0.000 0.157 12 M C -1.418 174.830 176.300 -0.087 0.000 1.522 12 M CA 1.079 56.339 55.300 -0.068 0.000 1.074 12 M CB -0.897 31.672 32.600 -0.052 0.000 1.341 12 M HN 0.367 nan 8.290 nan 0.000 0.270 13 K N 2.914 123.236 120.400 -0.131 0.000 2.507 13 K HA 0.741 5.061 4.320 0.001 0.000 0.252 13 K C -0.421 175.933 176.600 -0.410 0.000 0.943 13 K CA -0.784 55.361 56.287 -0.236 0.000 0.808 13 K CB 2.347 34.713 32.500 -0.223 0.000 1.142 13 K HN 0.499 nan 8.250 nan 0.000 0.426 14 R N 2.513 122.731 120.500 -0.471 0.000 2.494 14 R HA 0.414 4.755 4.340 0.001 0.000 0.305 14 R C -1.385 174.647 176.300 -0.446 0.000 0.959 14 R CA -0.708 55.173 56.100 -0.366 0.000 0.864 14 R CB 0.868 31.065 30.300 -0.171 0.000 1.159 14 R HN 0.699 nan 8.270 nan 0.000 0.446 15 Y N 4.996 125.300 120.300 0.008 0.000 2.475 15 Y HA 0.203 4.753 4.550 -0.000 0.000 0.343 15 Y C 0.383 176.289 175.900 0.009 0.000 1.068 15 Y CA -1.074 57.033 58.100 0.012 0.000 1.307 15 Y CB 0.809 39.281 38.460 0.021 0.000 1.097 15 Y HN 0.385 nan 8.280 nan 0.000 0.530 16 M N 0.441 120.128 119.600 0.144 0.000 2.055 16 M HA 0.713 5.193 4.480 0.001 0.000 0.279 16 M C 1.196 177.545 176.300 0.082 0.000 1.236 16 M CA 0.833 56.189 55.300 0.093 0.000 1.074 16 M CB 0.116 32.756 32.600 0.066 0.000 1.394 16 M HN 0.740 nan 8.290 nan 0.000 0.492 17 G N 0.805 109.634 108.800 0.048 0.000 2.702 17 G HA2 -0.403 3.557 3.960 0.001 0.000 0.342 17 G HA3 -0.403 3.557 3.960 0.001 0.000 0.342 17 G C 0.835 175.747 174.900 0.019 0.000 1.258 17 G CA 1.398 46.516 45.100 0.030 0.000 0.990 17 G HN 1.071 nan 8.290 nan 0.000 0.548 18 R N 0.666 121.176 120.500 0.017 0.000 2.070 18 R HA -0.089 4.251 4.340 0.001 0.000 0.227 18 R C 2.372 178.650 176.300 -0.037 0.000 1.147 18 R CA 2.305 58.400 56.100 -0.008 0.000 0.924 18 R CB -0.987 29.310 30.300 -0.005 0.000 0.827 18 R HN 0.539 nan 8.270 nan 0.000 0.431 19 D N 0.485 120.865 120.400 -0.034 0.000 2.612 19 D HA -0.291 4.349 4.640 0.001 0.000 0.191 19 D C 1.573 177.761 176.300 -0.187 0.000 1.061 19 D CA 2.228 56.147 54.000 -0.135 0.000 0.912 19 D CB -0.307 40.593 40.800 0.168 0.000 0.891 19 D HN 0.520 nan 8.370 nan 0.000 0.463 20 A N 0.074 122.889 122.820 -0.009 0.000 1.850 20 A HA -0.127 4.193 4.320 0.001 0.000 0.212 20 A C 2.095 179.676 177.584 -0.005 0.000 1.208 20 A CA 1.227 53.287 52.037 0.040 0.000 0.609 20 A CB -0.596 18.440 19.000 0.059 0.000 0.860 20 A HN 0.184 nan 8.150 nan 0.000 0.448 21 Q N -0.668 119.118 119.800 -0.022 0.000 2.103 21 Q HA -0.351 3.989 4.340 0.001 0.000 0.213 21 Q C 2.303 178.270 176.000 -0.055 0.000 1.008 21 Q CA 2.490 58.270 55.803 -0.038 0.000 0.879 21 Q CB -0.330 28.381 28.738 -0.045 0.000 0.946 21 Q HN 0.666 nan 8.270 nan 0.000 0.413 22 R N 0.230 120.677 120.500 -0.087 0.000 2.066 22 R HA -0.060 4.281 4.340 0.001 0.000 0.232 22 R C 2.091 178.313 176.300 -0.130 0.000 1.131 22 R CA 1.538 57.568 56.100 -0.118 0.000 0.955 22 R CB -0.071 30.127 30.300 -0.170 0.000 0.851 22 R HN 0.227 nan 8.270 nan 0.000 0.432 23 M N 0.170 119.701 119.600 -0.115 0.000 2.419 23 M HA -0.023 4.458 4.480 0.001 0.000 0.264 23 M C 0.978 177.266 176.300 -0.019 0.000 1.082 23 M CA 1.343 56.593 55.300 -0.083 0.000 1.119 23 M CB -0.042 32.646 32.600 0.147 0.000 1.398 23 M HN 0.374 nan 8.290 nan 0.000 0.453 24 N N -0.215 118.506 118.700 0.035 0.000 2.388 24 N HA 0.107 4.847 4.740 0.001 0.000 0.176 24 N C 1.509 177.015 175.510 -0.007 0.000 1.062 24 N CA 0.428 53.518 53.050 0.066 0.000 0.895 24 N CB 0.581 39.104 38.487 0.061 0.000 1.018 24 N HN 0.263 nan 8.380 nan 0.000 0.456 25 I N 0.600 121.144 120.570 -0.044 0.000 2.480 25 I HA -0.123 4.047 4.170 0.001 0.000 0.251 25 I C 1.883 177.956 176.117 -0.072 0.000 1.124 25 I CA 0.506 61.773 61.300 -0.055 0.000 1.444 25 I CB 0.194 38.160 38.000 -0.056 0.000 1.098 25 I HN 0.086 nan 8.210 nan 0.000 0.428 26 L N 0.721 121.879 121.223 -0.108 0.000 2.156 26 L HA 0.012 4.352 4.340 0.001 0.000 0.208 26 L C 2.508 179.298 176.870 -0.134 0.000 1.095 26 L CA 1.843 56.608 54.840 -0.126 0.000 0.770 26 L CB -1.089 40.861 42.059 -0.181 0.000 0.914 26 L HN 0.175 nan 8.230 nan 0.000 0.439 27 A N -1.143 121.581 122.820 -0.160 0.000 1.897 27 A HA 0.048 4.368 4.320 0.001 0.000 0.215 27 A C 2.279 179.841 177.584 -0.037 0.000 1.181 27 A CA 1.294 53.266 52.037 -0.109 0.000 0.620 27 A CB -1.042 17.904 19.000 -0.090 0.000 0.821 27 A HN 0.432 nan 8.150 nan 0.000 0.443 28 G N -0.755 108.028 108.800 -0.028 0.000 2.426 28 G HA2 -0.079 3.881 3.960 0.001 0.000 0.214 28 G HA3 -0.079 3.881 3.960 0.001 0.000 0.214 28 G C 1.711 176.593 174.900 -0.029 0.000 1.156 28 G CA 0.566 45.656 45.100 -0.018 0.000 0.802 28 G HN 0.514 nan 8.290 nan 0.000 0.534 29 R N 0.077 120.553 120.500 -0.039 0.000 2.083 29 R HA -0.035 4.306 4.340 0.001 0.000 0.237 29 R C 2.309 178.587 176.300 -0.037 0.000 1.137 29 R CA 1.112 57.188 56.100 -0.040 0.000 0.951 29 R CB -0.590 29.684 30.300 -0.043 0.000 0.851 29 R HN 0.336 nan 8.270 nan 0.000 0.434 30 I N 1.135 121.680 120.570 -0.041 0.000 3.456 30 I HA -0.399 3.771 4.170 0.001 0.000 0.172 30 I C 1.923 178.024 176.117 -0.027 0.000 0.811 30 I CA 1.667 62.946 61.300 -0.036 0.000 1.079 30 I CB -0.407 37.566 38.000 -0.043 0.000 0.826 30 I HN 0.185 nan 8.210 nan 0.000 0.317 31 I N 0.616 121.173 120.570 -0.021 0.000 3.456 31 I HA -0.082 4.089 4.170 0.001 0.000 0.291 31 I C 2.156 178.264 176.117 -0.016 0.000 1.307 31 I CA 0.984 62.276 61.300 -0.014 0.000 1.333 31 I CB -1.880 36.116 38.000 -0.007 0.000 1.032 31 I HN 0.332 nan 8.210 nan 0.000 0.506 32 A N 1.462 124.269 122.820 -0.021 0.000 1.901 32 A HA -0.043 4.277 4.320 0.001 0.000 0.210 32 A C 2.195 179.766 177.584 -0.023 0.000 1.208 32 A CA 0.395 52.418 52.037 -0.023 0.000 0.644 32 A CB -0.218 18.765 19.000 -0.027 0.000 0.863 32 A HN 0.369 nan 8.150 nan 0.000 0.454 33 E N -0.274 119.912 120.200 -0.024 0.000 2.097 33 E HA -0.177 4.173 4.350 0.001 0.000 0.196 33 E C 1.866 178.455 176.600 -0.020 0.000 1.000 33 E CA 1.556 57.942 56.400 -0.023 0.000 0.804 33 E CB -0.608 29.077 29.700 -0.024 0.000 0.740 33 E HN 0.512 nan 8.360 nan 0.000 0.454 34 T N 0.954 115.497 114.554 -0.018 0.000 2.427 34 T HA -0.244 4.106 4.350 0.001 0.000 0.244 34 T C 2.010 176.701 174.700 -0.015 0.000 1.325 34 T CA 2.663 64.754 62.100 -0.015 0.000 1.173 34 T CB -0.427 68.434 68.868 -0.012 0.000 0.859 34 T HN 0.279 nan 8.240 nan 0.000 0.415 35 V N 1.961 121.866 119.914 -0.016 0.000 3.541 35 V HA 0.148 4.268 4.120 0.001 0.000 0.267 35 V C 2.310 178.393 176.094 -0.019 0.000 1.213 35 V CA 1.087 63.377 62.300 -0.015 0.000 1.149 35 V CB -0.823 30.993 31.823 -0.012 0.000 0.822 35 V HN 0.493 nan 8.190 nan 0.000 0.462 36 R N 2.569 123.056 120.500 -0.021 0.000 2.080 36 R HA -0.126 4.214 4.340 0.001 0.000 0.236 36 R C 1.584 177.869 176.300 -0.024 0.000 1.137 36 R CA 2.388 58.473 56.100 -0.024 0.000 0.943 36 R CB -1.361 28.924 30.300 -0.025 0.000 0.846 36 R HN 0.616 nan 8.270 nan 0.000 0.431 37 S N 0.657 116.343 115.700 -0.023 0.000 2.685 37 S HA 0.067 4.538 4.470 0.001 0.000 0.240 37 S C 0.880 175.467 174.600 -0.022 0.000 0.967 37 S CA 0.252 58.438 58.200 -0.024 0.000 1.009 37 S CB 0.614 63.800 63.200 -0.022 0.000 0.776 37 S HN 0.623 nan 8.310 nan 0.000 0.467 38 T N -1.092 113.450 114.554 -0.021 0.000 2.990 38 T HA 0.300 4.650 4.350 0.001 0.000 0.249 38 T C 0.427 175.115 174.700 -0.020 0.000 1.039 38 T CA -0.381 61.708 62.100 -0.019 0.000 1.036 38 T CB -0.309 68.550 68.868 -0.014 0.000 0.994 38 T HN 0.322 nan 8.240 nan 0.000 0.489 39 L N 2.958 124.168 121.223 -0.022 0.000 2.418 39 L HA 0.499 4.839 4.340 0.001 0.000 0.274 39 L C 1.107 177.958 176.870 -0.032 0.000 1.135 39 L CA 1.068 55.893 54.840 -0.024 0.000 0.870 39 L CB -0.529 41.519 42.059 -0.017 0.000 1.154 39 L HN 0.633 nan 8.230 nan 0.000 0.462 40 G N 4.900 113.681 108.800 -0.030 0.000 2.598 40 G HA2 -0.297 3.664 3.960 0.001 0.000 0.269 40 G HA3 -0.297 3.664 3.960 0.001 0.000 0.269 40 G C -1.521 173.347 174.900 -0.053 0.000 1.289 40 G CA -0.054 45.022 45.100 -0.040 0.000 0.926 40 G HN 0.645 nan 8.290 nan 0.000 0.567 41 P HA 0.020 nan 4.420 nan 0.000 0.220 41 P C 1.254 178.490 177.300 -0.107 0.000 1.148 41 P CA 1.464 64.498 63.100 -0.109 0.000 0.803 41 P CB 0.044 31.617 31.700 -0.211 0.000 0.782 42 K N -0.092 120.249 120.400 -0.099 0.000 2.410 42 K HA 0.341 4.661 4.320 0.001 0.000 0.200 42 K C 1.055 177.623 176.600 -0.053 0.000 1.023 42 K CA -0.099 56.140 56.287 -0.080 0.000 1.149 42 K CB 0.159 32.610 32.500 -0.082 0.000 0.859 42 K HN 0.183 nan 8.250 nan 0.000 0.514 43 G N -0.435 108.338 108.800 -0.045 0.000 3.021 43 G HA2 0.669 4.629 3.960 0.001 0.000 0.290 43 G HA3 0.669 4.629 3.960 0.001 0.000 0.290 43 G C -1.381 173.504 174.900 -0.026 0.000 1.291 43 G CA -0.383 44.698 45.100 -0.033 0.000 0.834 43 G HN 0.077 nan 8.290 nan 0.000 0.564 44 M N -0.979 118.608 119.600 -0.021 0.000 2.683 44 M HA 0.584 5.064 4.480 0.001 0.000 0.274 44 M C -1.955 174.336 176.300 -0.015 0.000 1.272 44 M CA -0.487 54.802 55.300 -0.018 0.000 0.833 44 M CB 2.588 35.177 32.600 -0.018 0.000 1.708 44 M HN 0.465 nan 8.290 nan 0.000 0.463 45 D N 0.497 120.889 120.400 -0.014 0.000 2.374 45 D HA 0.682 5.322 4.640 0.001 0.000 0.239 45 D C -1.342 174.952 176.300 -0.011 0.000 0.991 45 D CA -0.251 53.741 54.000 -0.012 0.000 0.960 45 D CB 1.479 42.271 40.800 -0.014 0.000 1.284 45 D HN 0.333 nan 8.370 nan 0.000 0.512 46 K N 0.762 121.157 120.400 -0.008 0.000 2.468 46 K HA 0.526 4.846 4.320 0.001 0.000 0.252 46 K C -1.070 175.527 176.600 -0.005 0.000 0.932 46 K CA -0.863 55.420 56.287 -0.007 0.000 0.794 46 K CB 2.667 35.163 32.500 -0.006 0.000 1.241 46 K HN 0.406 nan 8.250 nan 0.000 0.428 47 M N 4.315 123.912 119.600 -0.004 0.000 2.046 47 M HA 0.315 4.795 4.480 0.001 0.000 0.309 47 M C -1.306 174.993 176.300 -0.001 0.000 0.935 47 M CA -0.695 54.604 55.300 -0.002 0.000 0.915 47 M CB 0.705 33.303 32.600 -0.003 0.000 1.474 47 M HN 0.508 nan 8.290 nan 0.000 0.415 48 L N 4.377 125.601 121.223 0.001 0.000 2.482 48 L HA 0.457 4.798 4.340 0.001 0.000 0.273 48 L C -0.472 176.399 176.870 0.002 0.000 1.228 48 L CA -0.265 54.576 54.840 0.002 0.000 0.827 48 L CB 0.812 42.873 42.059 0.003 0.000 1.099 48 L HN 0.634 nan 8.230 nan 0.000 0.494 49 V N -0.020 119.895 119.914 0.003 0.000 2.851 49 V HA 0.173 4.293 4.120 0.001 0.000 0.290 49 V C -0.967 175.129 176.094 0.003 0.000 1.330 49 V CA -1.152 61.150 62.300 0.003 0.000 0.944 49 V CB 2.027 33.852 31.823 0.002 0.000 1.090 49 V HN 0.868 nan 8.190 nan 0.000 0.436 50 D N 2.094 122.496 120.400 0.004 0.000 2.385 50 D HA 0.575 5.216 4.640 0.001 0.000 0.254 50 D C 0.698 177.001 176.300 0.004 0.000 1.053 50 D CA 0.435 54.437 54.000 0.004 0.000 0.992 50 D CB 1.454 42.257 40.800 0.005 0.000 1.145 50 D HN 0.754 nan 8.370 nan 0.000 0.523 51 D N 0.199 120.601 120.400 0.004 0.000 4.581 51 D HA -0.368 4.273 4.640 0.001 0.000 0.261 51 D C 1.304 177.606 176.300 0.004 0.000 0.490 51 D CA 2.626 56.629 54.000 0.004 0.000 1.265 51 D CB -1.488 39.314 40.800 0.004 0.000 0.776 51 D HN 0.506 nan 8.370 nan 0.000 0.351 52 L N -0.506 120.720 121.223 0.004 0.000 2.784 52 L HA 0.390 4.730 4.340 0.001 0.000 0.247 52 L C 2.226 179.099 176.870 0.004 0.000 1.162 52 L CA 0.600 55.443 54.840 0.004 0.000 0.881 52 L CB -1.452 40.610 42.059 0.004 0.000 1.032 52 L HN 0.761 nan 8.230 nan 0.000 0.446 53 G N 0.432 109.234 108.800 0.004 0.000 2.200 53 G HA2 -0.390 3.571 3.960 0.001 0.000 0.268 53 G HA3 -0.390 3.571 3.960 0.001 0.000 0.268 53 G C 0.143 175.046 174.900 0.004 0.000 0.986 53 G CA 0.828 45.930 45.100 0.003 0.000 0.677 53 G HN 0.573 nan 8.290 nan 0.000 0.532 54 D N 0.025 120.428 120.400 0.004 0.000 2.493 54 D HA 0.371 5.012 4.640 0.001 0.000 0.240 54 D C 0.570 176.873 176.300 0.006 0.000 1.142 54 D CA 1.019 55.023 54.000 0.005 0.000 0.872 54 D CB 0.781 41.584 40.800 0.006 0.000 1.173 54 D HN 0.720 nan 8.370 nan 0.000 0.467 55 V N 2.375 122.293 119.914 0.007 0.000 2.482 55 V HA 0.541 4.661 4.120 0.001 0.000 0.295 55 V C -0.561 175.537 176.094 0.007 0.000 1.026 55 V CA -1.057 61.247 62.300 0.006 0.000 0.856 55 V CB 1.496 33.322 31.823 0.004 0.000 1.001 55 V HN 0.337 nan 8.190 nan 0.000 0.424 56 V N 5.797 125.715 119.914 0.007 0.000 2.462 56 V HA 0.617 4.737 4.120 0.001 0.000 0.288 56 V C -0.484 175.614 176.094 0.007 0.000 1.020 56 V CA -0.270 62.036 62.300 0.010 0.000 0.857 56 V CB 1.813 33.642 31.823 0.010 0.000 1.013 56 V HN 0.800 nan 8.190 nan 0.000 0.431 57 V N 5.707 125.625 119.914 0.007 0.000 2.461 57 V HA 0.821 4.942 4.120 0.001 0.000 0.275 57 V C 0.556 176.653 176.094 0.005 0.000 1.047 57 V CA 0.540 62.841 62.300 0.002 0.000 0.955 57 V CB 0.699 32.520 31.823 -0.003 0.000 0.988 57 V HN 1.135 nan 8.190 nan 0.000 0.471 58 T N 0.174 114.729 114.554 0.003 0.000 2.886 58 T HA 0.315 4.666 4.350 0.001 0.000 0.330 58 T C 0.120 174.820 174.700 -0.000 0.000 1.488 58 T CA -0.461 61.642 62.100 0.004 0.000 1.054 58 T CB 1.880 70.754 68.868 0.010 0.000 1.348 58 T HN 0.556 nan 8.240 nan 0.000 0.489 59 N N 0.376 119.076 118.700 -0.001 0.000 2.254 59 N HA 0.119 4.859 4.740 0.001 0.000 0.190 59 N C -0.540 174.968 175.510 -0.003 0.000 1.107 59 N CA 0.043 53.091 53.050 -0.004 0.000 0.869 59 N CB 0.366 38.849 38.487 -0.008 0.000 0.983 59 N HN 0.703 nan 8.380 nan 0.000 0.487 60 D N -0.969 119.432 120.400 0.001 0.000 2.217 60 D HA 0.521 5.161 4.640 0.001 0.000 0.243 60 D C 1.131 177.431 176.300 0.001 0.000 1.054 60 D CA -0.453 53.548 54.000 0.002 0.000 0.838 60 D CB 1.690 42.494 40.800 0.006 0.000 1.162 60 D HN 0.147 nan 8.370 nan 0.000 0.472 61 G N 2.119 110.919 108.800 -0.000 0.000 2.394 61 G HA2 -0.167 3.793 3.960 0.001 0.000 0.215 61 G HA3 -0.167 3.793 3.960 0.001 0.000 0.215 61 G C 1.523 176.424 174.900 0.001 0.000 1.165 61 G CA 0.778 45.877 45.100 -0.001 0.000 0.784 61 G HN 0.454 nan 8.290 nan 0.000 0.535 62 V N 1.083 120.998 119.914 0.002 0.000 2.215 62 V HA -0.276 3.845 4.120 0.001 0.000 0.249 62 V C 2.799 178.895 176.094 0.004 0.000 1.054 62 V CA 3.475 65.777 62.300 0.003 0.000 1.012 62 V CB -1.128 30.697 31.823 0.004 0.000 0.639 62 V HN 0.399 nan 8.190 nan 0.000 0.448 63 T N 0.824 115.381 114.554 0.005 0.000 2.620 63 T HA -0.277 4.073 4.350 0.001 0.000 0.267 63 T C 1.744 176.447 174.700 0.005 0.000 1.044 63 T CA 2.607 64.711 62.100 0.006 0.000 1.161 63 T CB -0.546 68.326 68.868 0.008 0.000 0.862 63 T HN 0.544 nan 8.240 nan 0.000 0.438 64 I N 0.392 120.964 120.570 0.004 0.000 2.229 64 I HA -0.235 3.936 4.170 0.001 0.000 0.250 64 I C 1.895 178.013 176.117 0.002 0.000 1.096 64 I CA 1.568 62.869 61.300 0.002 0.000 1.358 64 I CB -0.313 37.687 38.000 0.000 0.000 1.047 64 I HN 0.282 nan 8.210 nan 0.000 0.422 65 L N -1.460 119.765 121.223 0.003 0.000 2.575 65 L HA 0.143 4.483 4.340 0.001 0.000 0.228 65 L C 2.296 179.169 176.870 0.006 0.000 1.075 65 L CA 0.036 54.879 54.840 0.004 0.000 0.867 65 L CB -0.484 41.577 42.059 0.004 0.000 1.097 65 L HN -0.064 nan 8.230 nan 0.000 0.485 66 R N 1.197 121.700 120.500 0.005 0.000 2.196 66 R HA -0.223 4.118 4.340 0.001 0.000 0.227 66 R C 2.332 178.635 176.300 0.006 0.000 1.108 66 R CA 2.359 58.462 56.100 0.005 0.000 0.884 66 R CB -0.221 30.082 30.300 0.005 0.000 0.839 66 R HN 0.253 nan 8.270 nan 0.000 0.431 67 E N 0.382 120.586 120.200 0.006 0.000 2.048 67 E HA -0.214 4.136 4.350 0.001 0.000 0.202 67 E C 0.844 177.447 176.600 0.006 0.000 1.021 67 E CA 0.997 57.401 56.400 0.006 0.000 0.825 67 E CB -0.378 29.325 29.700 0.006 0.000 0.756 67 E HN 0.394 nan 8.360 nan 0.000 0.454 68 M N 2.220 121.823 119.600 0.006 0.000 3.047 68 M HA -0.029 4.452 4.480 0.001 0.000 0.296 68 M C 0.610 176.915 176.300 0.008 0.000 1.669 68 M CA 0.317 55.621 55.300 0.006 0.000 1.574 68 M CB -1.197 31.406 32.600 0.005 0.000 1.656 68 M HN -0.102 nan 8.290 nan 0.000 0.481 69 S N 3.091 118.796 115.700 0.009 0.000 3.527 69 S HA 0.075 4.546 4.470 0.001 0.000 0.190 69 S C 0.548 175.157 174.600 0.015 0.000 0.886 69 S CA -0.238 57.969 58.200 0.011 0.000 1.270 69 S CB -1.215 61.991 63.200 0.009 0.000 1.507 69 S HN 0.640 nan 8.310 nan 0.000 0.517 70 V N 2.697 122.622 119.914 0.018 0.000 3.127 70 V HA -0.267 3.853 4.120 0.001 0.000 0.214 70 V C 1.172 177.286 176.094 0.033 0.000 2.180 70 V CA 1.964 64.280 62.300 0.027 0.000 1.936 70 V CB 0.039 31.878 31.823 0.028 0.000 0.902 70 V HN 0.964 nan 8.190 nan 0.000 0.455 71 E N 4.174 124.405 120.200 0.052 0.000 2.378 71 E HA 0.023 4.373 4.350 0.001 0.000 0.200 71 E C 0.761 177.415 176.600 0.089 0.000 0.882 71 E CA -0.027 56.411 56.400 0.063 0.000 1.061 71 E CB -0.070 29.675 29.700 0.075 0.000 1.049 71 E HN 0.860 nan 8.360 nan 0.000 0.494 72 H N 4.214 123.290 119.070 0.009 0.000 3.343 72 H HA -0.012 4.544 4.556 0.000 0.000 0.207 72 H C -1.824 173.510 175.328 0.010 0.000 0.784 72 H CA -0.715 55.339 56.048 0.011 0.000 1.351 72 H CB 0.353 30.118 29.762 0.006 0.000 1.527 72 H HN 0.149 nan 8.280 nan 0.000 0.512 73 P HA -0.309 nan 4.420 nan 0.000 0.219 73 P C 0.888 178.157 177.300 -0.052 0.000 1.149 73 P CA 2.021 65.072 63.100 -0.080 0.000 0.835 73 P CB 0.311 31.950 31.700 -0.103 0.000 0.778 74 A N -0.254 122.532 122.820 -0.057 0.000 1.878 74 A HA 0.170 4.490 4.320 0.001 0.000 0.213 74 A C 2.262 179.883 177.584 0.062 0.000 1.192 74 A CA 1.169 53.216 52.037 0.017 0.000 0.619 74 A CB -1.449 17.625 19.000 0.124 0.000 0.837 74 A HN 0.154 nan 8.150 nan 0.000 0.446 75 A N -0.209 122.682 122.820 0.118 0.000 2.204 75 A HA -0.193 4.128 4.320 0.001 0.000 0.220 75 A C 1.922 179.536 177.584 0.050 0.000 1.165 75 A CA 1.994 54.085 52.037 0.090 0.000 0.671 75 A CB -0.421 18.652 19.000 0.123 0.000 0.792 75 A HN 0.599 nan 8.150 nan 0.000 0.473 76 K N -1.156 119.265 120.400 0.035 0.000 2.244 76 K HA 0.090 4.411 4.320 0.001 0.000 0.200 76 K C 1.401 178.009 176.600 0.013 0.000 1.052 76 K CA 0.961 57.259 56.287 0.019 0.000 0.980 76 K CB -0.072 32.434 32.500 0.011 0.000 0.838 76 K HN 0.630 nan 8.250 nan 0.000 0.481 77 M N 0.148 119.755 119.600 0.012 0.000 2.776 77 M HA 0.094 4.574 4.480 0.001 0.000 0.233 77 M C 1.148 177.456 176.300 0.012 0.000 1.078 77 M CA 1.286 56.592 55.300 0.010 0.000 1.058 77 M CB -0.132 32.471 32.600 0.006 0.000 1.611 77 M HN -0.023 nan 8.290 nan 0.000 0.541 78 L N -1.268 119.963 121.223 0.014 0.000 2.717 78 L HA 0.282 4.622 4.340 0.001 0.000 0.239 78 L C 1.915 178.790 176.870 0.009 0.000 1.086 78 L CA -0.014 54.833 54.840 0.012 0.000 0.897 78 L CB 0.047 42.113 42.059 0.012 0.000 1.214 78 L HN 0.295 nan 8.230 nan 0.000 0.508 79 I N 1.006 121.582 120.570 0.009 0.000 2.068 79 I HA -0.380 3.791 4.170 0.001 0.000 0.238 79 I C 2.021 178.142 176.117 0.007 0.000 1.046 79 I CA 1.987 63.292 61.300 0.008 0.000 1.306 79 I CB -0.189 37.816 38.000 0.008 0.000 1.023 79 I HN 0.315 nan 8.210 nan 0.000 0.399 80 E N -0.695 119.510 120.200 0.007 0.000 2.396 80 E HA -0.265 4.085 4.350 0.001 0.000 0.209 80 E C 1.743 178.348 176.600 0.008 0.000 1.056 80 E CA 1.576 57.981 56.400 0.007 0.000 0.851 80 E CB -0.409 29.296 29.700 0.007 0.000 0.754 80 E HN 0.530 nan 8.360 nan 0.000 0.504 81 V N -0.918 119.000 119.914 0.008 0.000 3.635 81 V HA 0.195 4.315 4.120 0.001 0.000 0.266 81 V C 1.774 177.872 176.094 0.008 0.000 1.316 81 V CA 0.733 63.039 62.300 0.009 0.000 1.060 81 V CB 0.656 32.486 31.823 0.011 0.000 0.820 81 V HN 0.283 nan 8.190 nan 0.000 0.447 82 A N 0.276 123.100 122.820 0.006 0.000 1.930 82 A HA -0.075 4.246 4.320 0.001 0.000 0.215 82 A C 2.215 179.802 177.584 0.005 0.000 1.176 82 A CA 1.522 53.561 52.037 0.004 0.000 0.632 82 A CB -0.305 18.697 19.000 0.002 0.000 0.819 82 A HN 0.359 nan 8.150 nan 0.000 0.445 83 K N -0.561 119.842 120.400 0.005 0.000 2.074 83 K HA -0.165 4.156 4.320 0.001 0.000 0.209 83 K C 1.150 177.754 176.600 0.005 0.000 1.048 83 K CA 1.894 58.184 56.287 0.005 0.000 0.926 83 K CB -0.215 32.288 32.500 0.005 0.000 0.713 83 K HN 0.421 nan 8.250 nan 0.000 0.444 84 T N -0.084 114.474 114.554 0.006 0.000 3.107 84 T HA 0.004 4.354 4.350 0.001 0.000 0.249 84 T C 1.203 175.907 174.700 0.007 0.000 1.096 84 T CA 0.267 62.371 62.100 0.007 0.000 1.012 84 T CB 0.305 69.178 68.868 0.008 0.000 0.977 84 T HN 0.233 nan 8.240 nan 0.000 0.527 85 Q N 0.766 120.570 119.800 0.007 0.000 2.391 85 Q HA 0.165 4.506 4.340 0.001 0.000 0.211 85 Q C 2.175 178.178 176.000 0.006 0.000 0.908 85 Q CA 0.518 56.325 55.803 0.007 0.000 0.920 85 Q CB 0.182 28.925 28.738 0.008 0.000 1.056 85 Q HN 0.273 nan 8.270 nan 0.000 0.523 86 E N 0.460 120.663 120.200 0.005 0.000 2.051 86 E HA -0.158 4.193 4.350 0.001 0.000 0.189 86 E C 1.309 177.911 176.600 0.004 0.000 0.979 86 E CA 1.049 57.451 56.400 0.004 0.000 0.803 86 E CB 0.198 29.900 29.700 0.004 0.000 0.761 86 E HN 0.172 nan 8.360 nan 0.000 0.451 87 K N 0.659 121.061 120.400 0.004 0.000 2.025 87 K HA -0.130 4.190 4.320 0.001 0.000 0.207 87 K C 2.101 178.702 176.600 0.003 0.000 1.049 87 K CA 1.747 58.036 56.287 0.003 0.000 0.933 87 K CB 0.019 32.521 32.500 0.003 0.000 0.714 87 K HN 0.209 nan 8.250 nan 0.000 0.438 88 E N -0.000 120.202 120.200 0.004 0.000 1.992 88 E HA -0.219 4.131 4.350 0.001 0.000 0.202 88 E C 1.986 178.588 176.600 0.004 0.000 1.007 88 E CA 1.473 57.875 56.400 0.004 0.000 0.857 88 E CB -0.698 29.005 29.700 0.005 0.000 0.796 88 E HN 0.045 nan 8.360 nan 0.000 0.486 89 V N -0.165 119.752 119.914 0.005 0.000 2.358 89 V HA -0.069 4.052 4.120 0.001 0.000 0.246 89 V C 1.374 177.471 176.094 0.004 0.000 1.047 89 V CA 2.460 64.762 62.300 0.005 0.000 1.035 89 V CB -0.346 31.481 31.823 0.005 0.000 0.658 89 V HN 0.708 nan 8.190 nan 0.000 0.452 90 G N -0.614 108.188 108.800 0.005 0.000 4.013 90 G HA2 -0.217 3.744 3.960 0.001 0.000 0.255 90 G HA3 -0.217 3.744 3.960 0.001 0.000 0.255 90 G C -0.125 174.778 174.900 0.005 0.000 1.765 90 G CA 0.037 45.139 45.100 0.004 0.000 1.396 90 G HN 0.484 nan 8.290 nan 0.000 0.605 91 D N 2.816 123.219 120.400 0.005 0.000 2.658 91 D HA 0.383 5.024 4.640 0.001 0.000 0.230 91 D C 1.332 177.635 176.300 0.004 0.000 1.118 91 D CA 2.576 56.578 54.000 0.005 0.000 0.848 91 D CB 0.234 41.038 40.800 0.005 0.000 1.160 91 D HN 1.924 nan 8.370 nan 0.000 0.497 92 G N 1.735 110.536 108.800 0.003 0.000 2.154 92 G HA2 -0.317 3.643 3.960 0.001 0.000 0.186 92 G HA3 -0.317 3.643 3.960 0.001 0.000 0.186 92 G C 1.176 176.076 174.900 0.001 0.000 1.000 92 G CA 0.796 45.898 45.100 0.002 0.000 0.664 92 G HN 0.618 nan 8.290 nan 0.000 0.513 93 T N -0.560 113.994 114.554 0.001 0.000 2.428 93 T HA -0.246 4.104 4.350 0.001 0.000 0.248 93 T C 2.446 177.144 174.700 -0.003 0.000 1.284 93 T CA 3.383 65.483 62.100 0.000 0.000 1.217 93 T CB -1.630 67.238 68.868 0.001 0.000 0.864 93 T HN 1.423 nan 8.240 nan 0.000 0.402 94 T N 1.735 116.286 114.554 -0.005 0.000 2.422 94 T HA -0.361 3.989 4.350 0.001 0.000 0.175 94 T C 1.930 176.623 174.700 -0.012 0.000 1.638 94 T CA 3.301 65.396 62.100 -0.009 0.000 0.937 94 T CB -2.244 66.618 68.868 -0.012 0.000 0.798 94 T HN 0.752 nan 8.240 nan 0.000 0.473 95 T N 1.981 116.529 114.554 -0.009 0.000 2.812 95 T HA 0.273 4.623 4.350 0.001 0.000 0.264 95 T C 2.428 177.120 174.700 -0.012 0.000 1.042 95 T CA 1.289 63.383 62.100 -0.011 0.000 1.140 95 T CB -0.683 68.180 68.868 -0.008 0.000 0.870 95 T HN 0.676 nan 8.240 nan 0.000 0.445 96 A N 1.249 124.066 122.820 -0.004 0.000 1.877 96 A HA -0.018 4.303 4.320 0.001 0.000 0.216 96 A C 2.584 180.163 177.584 -0.008 0.000 1.186 96 A CA 1.398 53.436 52.037 0.000 0.000 0.620 96 A CB -1.007 17.997 19.000 0.006 0.000 0.822 96 A HN 0.350 nan 8.150 nan 0.000 0.443 97 V N -0.870 119.038 119.914 -0.010 0.000 2.346 97 V HA -0.157 3.963 4.120 0.001 0.000 0.244 97 V C 2.543 178.623 176.094 -0.023 0.000 1.037 97 V CA 1.668 63.961 62.300 -0.012 0.000 1.029 97 V CB -0.642 31.175 31.823 -0.009 0.000 0.663 97 V HN 0.334 nan 8.190 nan 0.000 0.454 98 V N 0.982 120.881 119.914 -0.026 0.000 2.261 98 V HA -0.189 3.931 4.120 0.001 0.000 0.246 98 V C 2.457 178.524 176.094 -0.045 0.000 1.047 98 V CA 2.209 64.490 62.300 -0.032 0.000 1.015 98 V CB -0.381 31.424 31.823 -0.031 0.000 0.642 98 V HN 0.581 nan 8.190 nan 0.000 0.446 99 V N -1.354 118.527 119.914 -0.054 0.000 3.383 99 V HA 0.101 4.222 4.120 0.001 0.000 0.272 99 V C 1.893 177.925 176.094 -0.103 0.000 1.181 99 V CA 1.545 63.792 62.300 -0.088 0.000 1.171 99 V CB -1.045 30.718 31.823 -0.100 0.000 0.800 99 V HN 0.365 nan 8.190 nan 0.000 0.515 100 A N 0.409 123.191 122.820 -0.064 0.000 2.115 100 A HA 0.514 4.834 4.320 0.001 0.000 0.211 100 A C 2.135 179.693 177.584 -0.043 0.000 1.169 100 A CA 0.839 52.846 52.037 -0.049 0.000 0.787 100 A CB -0.335 18.652 19.000 -0.022 0.000 0.858 100 A HN 0.631 nan 8.150 nan 0.000 0.474 101 G N -0.762 108.012 108.800 -0.043 0.000 2.608 101 G HA2 0.116 4.077 3.960 0.001 0.000 0.210 101 G HA3 0.116 4.077 3.960 0.001 0.000 0.210 101 G C 1.323 176.195 174.900 -0.047 0.000 1.139 101 G CA 0.758 45.834 45.100 -0.040 0.000 0.812 101 G HN 0.369 nan 8.290 nan 0.000 0.529 102 E N 0.413 120.579 120.200 -0.056 0.000 1.999 102 E HA -0.019 4.331 4.350 0.001 0.000 0.194 102 E C 2.314 178.879 176.600 -0.058 0.000 0.995 102 E CA 0.266 56.633 56.400 -0.056 0.000 0.825 102 E CB -0.681 28.983 29.700 -0.061 0.000 0.777 102 E HN 0.066 nan 8.360 nan 0.000 0.459 103 L N -0.219 120.950 121.223 -0.090 0.000 2.463 103 L HA -0.349 3.991 4.340 0.001 0.000 0.225 103 L C 2.203 179.045 176.870 -0.047 0.000 1.130 103 L CA 2.107 56.893 54.840 -0.090 0.000 0.859 103 L CB -0.740 41.207 42.059 -0.187 0.000 0.936 103 L HN 0.267 nan 8.230 nan 0.000 0.452 104 L N -2.445 118.746 121.223 -0.054 0.000 2.130 104 L HA -0.067 4.274 4.340 0.001 0.000 0.200 104 L C 2.607 179.450 176.870 -0.045 0.000 1.075 104 L CA 0.939 55.745 54.840 -0.057 0.000 0.768 104 L CB -0.590 41.441 42.059 -0.048 0.000 0.933 104 L HN 0.334 nan 8.230 nan 0.000 0.451 105 R N 1.254 121.732 120.500 -0.036 0.000 2.134 105 R HA -0.235 4.106 4.340 0.001 0.000 0.248 105 R C 1.956 178.246 176.300 -0.017 0.000 1.143 105 R CA 1.866 57.949 56.100 -0.028 0.000 0.957 105 R CB -0.415 29.870 30.300 -0.026 0.000 0.867 105 R HN 0.196 nan 8.270 nan 0.000 0.441 106 K N 0.229 120.627 120.400 -0.003 0.000 2.148 106 K HA 0.023 4.343 4.320 0.001 0.000 0.204 106 K C 1.942 178.559 176.600 0.029 0.000 1.050 106 K CA 1.245 57.550 56.287 0.030 0.000 0.942 106 K CB -0.308 32.230 32.500 0.065 0.000 0.724 106 K HN 0.354 nan 8.250 nan 0.000 0.446 107 A N 0.822 123.631 122.820 -0.019 0.000 2.168 107 A HA -0.121 4.199 4.320 0.001 0.000 0.215 107 A C 2.025 179.569 177.584 -0.066 0.000 1.152 107 A CA 1.206 53.192 52.037 -0.086 0.000 0.716 107 A CB -0.187 18.693 19.000 -0.201 0.000 0.794 107 A HN 0.387 nan 8.150 nan 0.000 0.465 108 E N 0.334 120.508 120.200 -0.043 0.000 2.021 108 E HA -0.141 4.209 4.350 0.001 0.000 0.189 108 E C 1.725 178.313 176.600 -0.020 0.000 0.980 108 E CA 0.977 57.356 56.400 -0.035 0.000 0.803 108 E CB -0.192 29.488 29.700 -0.033 0.000 0.766 108 E HN 0.643 nan 8.360 nan 0.000 0.449 109 E N 0.126 120.322 120.200 -0.007 0.000 2.197 109 E HA -0.260 4.090 4.350 0.001 0.000 0.205 109 E C 1.952 178.555 176.600 0.006 0.000 1.029 109 E CA 1.090 57.492 56.400 0.003 0.000 0.828 109 E CB -0.091 29.619 29.700 0.017 0.000 0.737 109 E HN 0.239 nan 8.360 nan 0.000 0.464 110 L N 0.188 121.415 121.223 0.006 0.000 2.034 110 L HA -0.101 4.239 4.340 0.001 0.000 0.203 110 L C 2.398 179.264 176.870 -0.006 0.000 1.074 110 L CA 1.344 56.190 54.840 0.010 0.000 0.748 110 L CB -1.132 40.942 42.059 0.024 0.000 0.905 110 L HN 0.159 nan 8.230 nan 0.000 0.439 111 L N 0.217 121.424 121.223 -0.027 0.000 2.189 111 L HA -0.254 4.086 4.340 0.001 0.000 0.214 111 L C 1.667 178.524 176.870 -0.023 0.000 1.097 111 L CA 1.258 56.074 54.840 -0.041 0.000 0.764 111 L CB -0.766 41.253 42.059 -0.066 0.000 0.900 111 L HN 0.403 nan 8.230 nan 0.000 0.436 112 D N -1.149 119.241 120.400 -0.015 0.000 2.363 112 D HA -0.158 4.483 4.640 0.001 0.000 0.220 112 D C 1.669 177.970 176.300 0.002 0.000 0.994 112 D CA 0.277 54.272 54.000 -0.007 0.000 0.890 112 D CB -0.229 40.565 40.800 -0.010 0.000 0.906 112 D HN 0.392 nan 8.370 nan 0.000 0.530 113 Q N 0.770 120.573 119.800 0.006 0.000 2.322 113 Q HA 0.079 4.419 4.340 0.001 0.000 0.203 113 Q C 0.043 176.054 176.000 0.018 0.000 0.923 113 Q CA -0.114 55.697 55.803 0.013 0.000 0.949 113 Q CB -1.101 27.645 28.738 0.013 0.000 1.039 113 Q HN 0.232 nan 8.270 nan 0.000 0.496 114 N N -0.573 118.136 118.700 0.015 0.000 2.628 114 N HA -0.233 4.507 4.740 0.001 0.000 0.247 114 N C -0.210 175.321 175.510 0.036 0.000 1.157 114 N CA 0.563 53.626 53.050 0.022 0.000 0.729 114 N CB -0.842 37.664 38.487 0.032 0.000 1.083 114 N HN 0.497 nan 8.380 nan 0.000 0.554 115 V N 1.190 121.124 119.914 0.033 0.000 3.142 115 V HA -0.254 3.866 4.120 0.001 0.000 0.258 115 V C 0.663 176.765 176.094 0.014 0.000 0.964 115 V CA 0.473 62.795 62.300 0.036 0.000 1.132 115 V CB -0.822 31.032 31.823 0.051 0.000 0.769 115 V HN 0.436 nan 8.190 nan 0.000 0.452 116 H N 6.943 126.017 119.070 0.006 0.000 1.694 116 H HA -0.125 4.431 4.556 0.000 0.000 0.323 116 H C -0.733 174.597 175.328 0.002 0.000 0.802 116 H CA 0.939 56.991 56.048 0.006 0.000 1.074 116 H CB -0.233 29.533 29.762 0.007 0.000 1.518 116 H HN 0.778 nan 8.280 nan 0.000 0.270 117 P HA -0.298 nan 4.420 nan 0.000 0.219 117 P C 1.733 178.989 177.300 -0.072 0.000 1.149 117 P CA 2.287 65.235 63.100 -0.254 0.000 0.835 117 P CB -0.115 31.370 31.700 -0.358 0.000 0.778 118 T N -1.428 113.174 114.554 0.080 0.000 2.582 118 T HA -0.288 4.063 4.350 0.001 0.000 0.246 118 T C 1.769 176.531 174.700 0.103 0.000 1.236 118 T CA 2.091 64.299 62.100 0.180 0.000 1.125 118 T CB -1.311 67.738 68.868 0.301 0.000 0.837 118 T HN -0.055 nan 8.240 nan 0.000 0.458 119 I N 0.916 121.543 120.570 0.095 0.000 2.339 119 I HA 0.073 4.243 4.170 0.001 0.000 0.245 119 I C 2.909 179.082 176.117 0.094 0.000 1.096 119 I CA 0.875 62.227 61.300 0.087 0.000 1.408 119 I CB -1.235 36.814 38.000 0.083 0.000 1.092 119 I HN 0.349 nan 8.210 nan 0.000 0.423 120 V N 1.553 121.497 119.914 0.049 0.000 2.759 120 V HA -0.130 3.990 4.120 0.001 0.000 0.256 120 V C 2.312 178.413 176.094 0.011 0.000 1.080 120 V CA 1.661 63.975 62.300 0.022 0.000 1.101 120 V CB -0.173 31.553 31.823 -0.161 0.000 0.698 120 V HN 0.308 nan 8.190 nan 0.000 0.477 121 V N -2.429 117.500 119.914 0.024 0.000 2.878 121 V HA 0.124 4.245 4.120 0.001 0.000 0.250 121 V C 2.348 178.525 176.094 0.138 0.000 1.075 121 V CA 1.455 63.788 62.300 0.055 0.000 1.096 121 V CB -0.860 30.979 31.823 0.026 0.000 0.724 121 V HN 0.399 nan 8.190 nan 0.000 0.467 122 K N 1.464 121.936 120.400 0.120 0.000 2.555 122 K HA 0.168 4.489 4.320 0.001 0.000 0.193 122 K C 1.796 178.476 176.600 0.134 0.000 1.032 122 K CA 1.004 57.353 56.287 0.103 0.000 1.004 122 K CB -0.305 32.242 32.500 0.079 0.000 0.804 122 K HN 0.634 nan 8.250 nan 0.000 0.496 123 G N -1.260 107.693 108.800 0.255 0.000 2.662 123 G HA2 -0.110 3.850 3.960 0.001 0.000 0.207 123 G HA3 -0.110 3.850 3.960 0.001 0.000 0.207 123 G C 0.735 175.701 174.900 0.109 0.000 1.154 123 G CA -0.092 45.133 45.100 0.209 0.000 0.837 123 G HN 0.219 nan 8.290 nan 0.000 0.580 124 Y N 2.331 122.627 120.300 -0.007 0.000 2.639 124 Y HA -0.032 4.518 4.550 0.001 0.000 0.297 124 Y C 2.984 178.779 175.900 -0.175 0.000 1.151 124 Y CA 0.776 58.819 58.100 -0.095 0.000 1.335 124 Y CB -0.315 38.282 38.460 0.228 0.000 0.994 124 Y HN 0.471 nan 8.280 nan 0.000 0.548 125 Q N -0.556 119.277 119.800 0.055 0.000 2.096 125 Q HA -0.002 4.338 4.340 0.001 0.000 0.197 125 Q C 2.128 178.085 176.000 -0.072 0.000 0.964 125 Q CA 1.201 56.998 55.803 -0.009 0.000 0.838 125 Q CB -0.523 28.239 28.738 0.039 0.000 0.906 125 Q HN 0.300 nan 8.270 nan 0.000 0.444 126 A N 0.749 123.534 122.820 -0.058 0.000 2.206 126 A HA 0.368 4.688 4.320 0.001 0.000 0.211 126 A C 1.933 179.425 177.584 -0.153 0.000 1.158 126 A CA 0.830 52.833 52.037 -0.058 0.000 0.761 126 A CB -0.151 18.871 19.000 0.036 0.000 0.801 126 A HN 0.489 nan 8.150 nan 0.000 0.473 127 A N -1.358 121.291 122.820 -0.284 0.000 2.390 127 A HA 0.654 4.974 4.320 0.001 0.000 0.232 127 A C 1.870 179.054 177.584 -0.667 0.000 1.233 127 A CA 0.946 52.684 52.037 -0.497 0.000 0.907 127 A CB -0.285 18.359 19.000 -0.592 0.000 0.967 127 A HN 0.622 nan 8.150 nan 0.000 0.512 128 A N 0.168 122.698 122.820 -0.482 0.000 1.843 128 A HA 0.022 4.343 4.320 0.001 0.000 0.213 128 A C 1.933 179.408 177.584 -0.181 0.000 1.239 128 A CA 1.441 53.305 52.037 -0.289 0.000 0.606 128 A CB -0.741 18.188 19.000 -0.118 0.000 0.903 128 A HN 0.413 nan 8.150 nan 0.000 0.455 129 Q N 0.190 119.903 119.800 -0.145 0.000 2.045 129 Q HA -0.348 3.993 4.340 0.001 0.000 0.215 129 Q C 2.050 177.955 176.000 -0.159 0.000 1.026 129 Q CA 2.850 58.582 55.803 -0.119 0.000 0.885 129 Q CB -0.458 28.236 28.738 -0.074 0.000 0.984 129 Q HN 0.727 nan 8.270 nan 0.000 0.414 130 K N 0.438 120.686 120.400 -0.254 0.000 2.026 130 K HA -0.118 4.202 4.320 0.001 0.000 0.208 130 K C 2.032 178.476 176.600 -0.260 0.000 1.048 130 K CA 1.496 57.581 56.287 -0.336 0.000 0.929 130 K CB -0.596 31.488 32.500 -0.695 0.000 0.713 130 K HN 0.232 nan 8.250 nan 0.000 0.439 131 A N 0.692 123.361 122.820 -0.253 0.000 1.958 131 A HA -0.267 4.053 4.320 0.001 0.000 0.221 131 A C 2.170 179.696 177.584 -0.096 0.000 1.178 131 A CA 1.979 53.924 52.037 -0.153 0.000 0.642 131 A CB -0.771 18.167 19.000 -0.104 0.000 0.816 131 A HN 0.475 nan 8.150 nan 0.000 0.453 132 Q N -0.242 119.503 119.800 -0.092 0.000 2.167 132 Q HA -0.116 4.225 4.340 0.001 0.000 0.202 132 Q C 1.856 177.820 176.000 -0.060 0.000 0.970 132 Q CA 1.548 57.316 55.803 -0.058 0.000 0.855 132 Q CB -0.278 28.428 28.738 -0.055 0.000 0.911 132 Q HN 0.805 nan 8.270 nan 0.000 0.438 133 E N -0.297 119.852 120.200 -0.086 0.000 2.358 133 E HA -0.033 4.317 4.350 0.001 0.000 0.195 133 E C 1.927 178.488 176.600 -0.065 0.000 1.010 133 E CA 0.356 56.713 56.400 -0.072 0.000 0.856 133 E CB 0.159 29.807 29.700 -0.087 0.000 0.795 133 E HN 0.366 nan 8.360 nan 0.000 0.504 134 L N -0.090 121.087 121.223 -0.077 0.000 2.162 134 L HA -0.015 4.326 4.340 0.001 0.000 0.205 134 L C 2.405 179.249 176.870 -0.042 0.000 1.086 134 L CA 0.521 55.324 54.840 -0.063 0.000 0.778 134 L CB -0.395 41.620 42.059 -0.075 0.000 0.928 134 L HN 0.004 nan 8.230 nan 0.000 0.446 135 L N 0.136 121.338 121.223 -0.035 0.000 2.095 135 L HA -0.101 4.239 4.340 0.001 0.000 0.204 135 L C 2.503 179.363 176.870 -0.017 0.000 1.080 135 L CA 1.150 55.980 54.840 -0.018 0.000 0.759 135 L CB -0.351 41.705 42.059 -0.006 0.000 0.914 135 L HN 0.154 nan 8.230 nan 0.000 0.439 136 K N -0.468 119.919 120.400 -0.022 0.000 2.211 136 K HA -0.150 4.170 4.320 0.001 0.000 0.204 136 K C 1.791 178.378 176.600 -0.022 0.000 1.047 136 K CA 1.833 58.108 56.287 -0.020 0.000 0.935 136 K CB -0.521 31.968 32.500 -0.019 0.000 0.728 136 K HN 0.463 nan 8.250 nan 0.000 0.452 137 T N -1.048 113.489 114.554 -0.029 0.000 3.015 137 T HA 0.063 4.413 4.350 0.001 0.000 0.250 137 T C 1.662 176.340 174.700 -0.037 0.000 1.057 137 T CA 0.048 62.129 62.100 -0.031 0.000 1.066 137 T CB -0.128 68.719 68.868 -0.035 0.000 0.959 137 T HN 0.209 nan 8.240 nan 0.000 0.488 138 I N 0.605 121.151 120.570 -0.040 0.000 3.793 138 I HA 0.585 4.756 4.170 0.001 0.000 0.315 138 I C 1.164 177.265 176.117 -0.027 0.000 1.275 138 I CA -1.615 59.655 61.300 -0.050 0.000 1.214 138 I CB -1.528 36.431 38.000 -0.070 0.000 1.018 138 I HN 0.229 nan 8.210 nan 0.000 0.439 139 A N 1.844 124.655 122.820 -0.014 0.000 1.594 139 A HA -0.198 4.122 4.320 0.001 0.000 0.309 139 A C 0.891 178.468 177.584 -0.013 0.000 1.079 139 A CA 1.010 53.040 52.037 -0.011 0.000 1.316 139 A CB -2.053 16.939 19.000 -0.014 0.000 0.863 139 A HN 1.022 nan 8.150 nan 0.000 0.223 140 C N 2.452 121.749 119.300 -0.006 0.000 2.203 140 C HA 0.525 4.986 4.460 0.001 0.000 0.413 140 C C 0.332 175.321 174.990 -0.002 0.000 1.054 140 C CA -1.094 57.921 59.018 -0.006 0.000 1.496 140 C CB -1.253 26.487 27.740 0.000 0.000 1.573 140 C HN 0.719 nan 8.230 nan 0.000 0.498 141 E N 1.604 121.801 120.200 -0.004 0.000 2.606 141 E HA 0.237 4.587 4.350 0.001 0.000 0.248 141 E C -0.364 176.236 176.600 -0.001 0.000 1.005 141 E CA 0.490 56.889 56.400 -0.003 0.000 0.946 141 E CB 0.621 30.319 29.700 -0.004 0.000 0.928 141 E HN 0.677 nan 8.360 nan 0.000 0.494 142 V N 2.282 122.197 119.914 0.001 0.000 2.623 142 V HA 0.449 4.569 4.120 0.001 0.000 0.304 142 V C 0.520 176.615 176.094 0.001 0.000 1.054 142 V CA -1.032 61.269 62.300 0.002 0.000 0.882 142 V CB 1.956 33.781 31.823 0.003 0.000 1.002 142 V HN 0.731 nan 8.190 nan 0.000 0.424 143 G N 1.949 110.749 108.800 0.000 0.000 2.477 143 G HA2 0.570 4.531 3.960 0.001 0.000 0.304 143 G HA3 0.570 4.531 3.960 0.001 0.000 0.304 143 G C 0.930 175.830 174.900 -0.000 0.000 1.175 143 G CA 0.046 45.145 45.100 -0.000 0.000 0.907 143 G HN 1.034 nan 8.290 nan 0.000 0.509 144 A N 0.035 122.855 122.820 -0.001 0.000 1.933 144 A HA -0.067 4.254 4.320 0.001 0.000 0.218 144 A C 2.048 179.631 177.584 -0.002 0.000 1.175 144 A CA 2.079 54.116 52.037 -0.001 0.000 0.628 144 A CB -0.309 18.690 19.000 -0.002 0.000 0.814 144 A HN 0.753 nan 8.150 nan 0.000 0.444 145 Q N -0.764 119.035 119.800 -0.002 0.000 2.171 145 Q HA 0.247 4.587 4.340 0.001 0.000 0.218 145 Q C -0.336 175.663 176.000 -0.002 0.000 0.822 145 Q CA -0.034 55.767 55.803 -0.003 0.000 0.987 145 Q CB -0.242 28.494 28.738 -0.004 0.000 1.144 145 Q HN 0.331 nan 8.270 nan 0.000 0.494 146 D N 1.719 122.119 120.400 -0.001 0.000 2.583 146 D HA -0.086 4.555 4.640 0.001 0.000 0.232 146 D C 0.649 176.950 176.300 0.001 0.000 1.128 146 D CA 0.583 54.584 54.000 0.000 0.000 0.859 146 D CB 1.007 41.807 40.800 0.001 0.000 1.169 146 D HN 0.225 nan 8.370 nan 0.000 0.481 147 K N 3.337 123.737 120.400 0.001 0.000 2.078 147 K HA -0.120 4.201 4.320 0.001 0.000 0.203 147 K C 1.636 178.238 176.600 0.003 0.000 1.043 147 K CA 0.366 56.654 56.287 0.001 0.000 0.960 147 K CB -0.090 32.411 32.500 0.001 0.000 0.761 147 K HN 0.641 nan 8.250 nan 0.000 0.448 148 E N 1.345 121.547 120.200 0.003 0.000 2.332 148 E HA -0.284 4.067 4.350 0.001 0.000 0.243 148 E C 1.815 178.418 176.600 0.006 0.000 1.088 148 E CA 2.923 59.325 56.400 0.004 0.000 1.048 148 E CB -0.545 29.158 29.700 0.005 0.000 0.911 148 E HN 0.576 nan 8.360 nan 0.000 0.487 149 I N -2.009 118.565 120.570 0.005 0.000 2.876 149 I HA -0.079 4.091 4.170 0.001 0.000 0.264 149 I C 2.316 178.437 176.117 0.006 0.000 1.204 149 I CA 0.247 61.551 61.300 0.007 0.000 1.485 149 I CB -0.164 37.840 38.000 0.007 0.000 1.103 149 I HN 0.028 nan 8.210 nan 0.000 0.446 150 L N 1.956 123.181 121.223 0.005 0.000 2.083 150 L HA -0.121 4.219 4.340 0.001 0.000 0.209 150 L C 2.754 179.627 176.870 0.005 0.000 1.083 150 L CA 2.480 57.322 54.840 0.004 0.000 0.752 150 L CB -1.087 40.973 42.059 0.002 0.000 0.899 150 L HN 0.574 nan 8.230 nan 0.000 0.433 151 T N -4.405 110.152 114.554 0.006 0.000 3.148 151 T HA -0.062 4.289 4.350 0.001 0.000 0.253 151 T C 1.678 176.384 174.700 0.009 0.000 1.134 151 T CA 0.736 62.840 62.100 0.007 0.000 1.051 151 T CB -0.018 68.853 68.868 0.006 0.000 0.959 151 T HN 0.201 nan 8.240 nan 0.000 0.525 152 K N 0.170 120.577 120.400 0.010 0.000 2.399 152 K HA 0.427 4.748 4.320 0.001 0.000 0.196 152 K C 1.720 178.328 176.600 0.014 0.000 1.117 152 K CA 0.116 56.411 56.287 0.013 0.000 0.965 152 K CB 0.154 32.661 32.500 0.013 0.000 0.983 152 K HN 0.373 nan 8.250 nan 0.000 0.531 153 I N 0.569 121.146 120.570 0.012 0.000 2.400 153 I HA -0.007 4.163 4.170 0.001 0.000 0.248 153 I C 2.298 178.421 176.117 0.010 0.000 1.109 153 I CA 0.818 62.124 61.300 0.011 0.000 1.425 153 I CB -0.230 37.775 38.000 0.008 0.000 1.094 153 I HN 0.116 nan 8.210 nan 0.000 0.425 154 A N 2.131 124.957 122.820 0.009 0.000 1.902 154 A HA -0.232 4.088 4.320 0.001 0.000 0.217 154 A C 2.469 180.060 177.584 0.012 0.000 1.181 154 A CA 2.061 54.103 52.037 0.009 0.000 0.623 154 A CB -0.726 18.278 19.000 0.007 0.000 0.818 154 A HN 0.574 nan 8.150 nan 0.000 0.443 155 M N -2.196 117.413 119.600 0.014 0.000 2.159 155 M HA -0.068 4.413 4.480 0.001 0.000 0.263 155 M C 1.708 178.021 176.300 0.022 0.000 1.063 155 M CA 2.339 57.650 55.300 0.018 0.000 1.110 155 M CB -1.057 31.555 32.600 0.020 0.000 1.374 155 M HN 0.078 nan 8.290 nan 0.000 0.411 156 T N 0.483 115.049 114.554 0.020 0.000 3.072 156 T HA 0.035 4.385 4.350 0.001 0.000 0.266 156 T C 1.775 176.485 174.700 0.016 0.000 1.127 156 T CA 1.255 63.367 62.100 0.020 0.000 1.107 156 T CB -0.178 68.701 68.868 0.019 0.000 0.910 156 T HN 0.530 nan 8.240 nan 0.000 0.513 157 S N 0.756 116.465 115.700 0.015 0.000 2.470 157 S HA 0.202 4.672 4.470 0.001 0.000 0.225 157 S C 0.995 175.603 174.600 0.014 0.000 1.006 157 S CA 0.392 58.599 58.200 0.013 0.000 0.934 157 S CB -0.003 63.203 63.200 0.010 0.000 0.778 157 S HN 0.484 nan 8.310 nan 0.000 0.517 158 I N 2.496 123.076 120.570 0.017 0.000 3.261 158 I HA 0.212 4.383 4.170 0.001 0.000 0.341 158 I C 0.185 176.318 176.117 0.026 0.000 1.355 158 I CA -0.305 61.007 61.300 0.021 0.000 1.070 158 I CB 0.048 38.060 38.000 0.020 0.000 1.742 158 I HN 0.058 nan 8.210 nan 0.000 0.498 159 T N -2.000 112.570 114.554 0.027 0.000 2.907 159 T HA 0.661 5.011 4.350 0.001 0.000 0.292 159 T C 0.592 175.306 174.700 0.025 0.000 1.043 159 T CA -0.394 61.726 62.100 0.033 0.000 1.003 159 T CB 1.892 70.784 68.868 0.039 0.000 1.084 159 T HN 0.496 nan 8.240 nan 0.000 0.483 160 G N 2.015 110.831 108.800 0.028 0.000 2.325 160 G HA2 -0.113 3.847 3.960 0.001 0.000 0.274 160 G HA3 -0.113 3.847 3.960 0.001 0.000 0.274 160 G C -0.352 174.556 174.900 0.014 0.000 0.921 160 G CA 0.445 45.555 45.100 0.016 0.000 1.340 160 G HN 0.915 nan 8.290 nan 0.000 0.447 161 K N -1.158 119.254 120.400 0.020 0.000 2.660 161 K HA 0.430 4.750 4.320 0.001 0.000 0.285 161 K C 0.705 177.318 176.600 0.021 0.000 0.997 161 K CA -0.520 55.779 56.287 0.021 0.000 0.861 161 K CB 0.912 33.426 32.500 0.023 0.000 1.469 161 K HN 0.435 nan 8.250 nan 0.000 0.395 162 G N 0.161 108.973 108.800 0.020 0.000 3.314 162 G HA2 0.440 4.400 3.960 0.001 0.000 0.238 162 G HA3 0.440 4.400 3.960 0.001 0.000 0.238 162 G C -0.137 174.776 174.900 0.022 0.000 1.184 162 G CA 0.311 45.420 45.100 0.015 0.000 0.806 162 G HN 0.519 nan 8.290 nan 0.000 0.536 163 A N 0.594 123.429 122.820 0.025 0.000 2.664 163 A HA 0.450 4.770 4.320 0.001 0.000 0.300 163 A C 0.519 178.118 177.584 0.025 0.000 1.210 163 A CA -0.006 52.045 52.037 0.024 0.000 0.863 163 A CB -0.026 18.986 19.000 0.021 0.000 1.464 163 A HN 0.285 nan 8.150 nan 0.000 0.438 164 E N 1.287 121.505 120.200 0.030 0.000 2.474 164 E HA -0.279 4.071 4.350 0.001 0.000 0.207 164 E C 1.137 177.754 176.600 0.028 0.000 1.087 164 E CA 1.697 58.117 56.400 0.034 0.000 0.894 164 E CB 0.050 29.781 29.700 0.052 0.000 0.827 164 E HN 0.463 nan 8.360 nan 0.000 0.575 165 K N 0.525 120.938 120.400 0.021 0.000 1.995 165 K HA 0.056 4.377 4.320 0.001 0.000 0.207 165 K C 2.157 178.762 176.600 0.009 0.000 1.041 165 K CA 1.243 57.537 56.287 0.012 0.000 0.942 165 K CB -1.105 31.400 32.500 0.008 0.000 0.731 165 K HN 0.222 nan 8.250 nan 0.000 0.439 166 A N 2.719 125.546 122.820 0.012 0.000 2.054 166 A HA -0.301 4.019 4.320 0.001 0.000 0.223 166 A C 1.950 179.541 177.584 0.011 0.000 1.169 166 A CA 2.582 54.626 52.037 0.012 0.000 0.655 166 A CB -0.762 18.243 19.000 0.009 0.000 0.812 166 A HN 0.558 nan 8.150 nan 0.000 0.462 167 K N -0.410 119.998 120.400 0.013 0.000 2.242 167 K HA -0.236 4.084 4.320 0.001 0.000 0.206 167 K C 1.608 178.215 176.600 0.011 0.000 1.045 167 K CA 1.948 58.244 56.287 0.015 0.000 0.930 167 K CB -0.281 32.231 32.500 0.019 0.000 0.726 167 K HN 0.597 nan 8.250 nan 0.000 0.462 168 E N 0.144 120.349 120.200 0.008 0.000 2.299 168 E HA -0.057 4.294 4.350 0.001 0.000 0.193 168 E C 1.486 178.090 176.600 0.007 0.000 0.998 168 E CA 0.444 56.848 56.400 0.007 0.000 0.851 168 E CB 0.301 30.003 29.700 0.004 0.000 0.795 168 E HN 0.198 nan 8.360 nan 0.000 0.492 169 K N 0.043 120.447 120.400 0.007 0.000 2.284 169 K HA 0.091 4.411 4.320 0.001 0.000 0.198 169 K C 1.641 178.247 176.600 0.009 0.000 1.048 169 K CA 0.288 56.579 56.287 0.008 0.000 0.987 169 K CB 0.291 32.797 32.500 0.009 0.000 0.800 169 K HN 0.045 nan 8.250 nan 0.000 0.486 170 L N -1.028 120.201 121.223 0.010 0.000 2.492 170 L HA 0.225 4.566 4.340 0.001 0.000 0.223 170 L C 1.713 178.588 176.870 0.008 0.000 1.132 170 L CA 0.692 55.538 54.840 0.010 0.000 0.850 170 L CB -0.108 41.958 42.059 0.012 0.000 0.966 170 L HN 0.021 nan 8.230 nan 0.000 0.454 171 A N -0.723 122.102 122.820 0.008 0.000 2.390 171 A HA 0.091 4.411 4.320 0.001 0.000 0.232 171 A C 1.983 179.570 177.584 0.005 0.000 1.233 171 A CA -0.026 52.016 52.037 0.007 0.000 0.907 171 A CB 0.138 19.143 19.000 0.008 0.000 0.967 171 A HN 0.313 nan 8.150 nan 0.000 0.512 172 E N 0.315 120.518 120.200 0.005 0.000 2.022 172 E HA -0.068 4.282 4.350 0.001 0.000 0.190 172 E C 1.735 178.337 176.600 0.003 0.000 0.973 172 E CA 1.253 57.656 56.400 0.004 0.000 0.816 172 E CB -0.155 29.548 29.700 0.005 0.000 0.781 172 E HN 0.679 nan 8.360 nan 0.000 0.456 173 I N 0.811 121.384 120.570 0.005 0.000 2.614 173 I HA -0.121 4.049 4.170 0.001 0.000 0.258 173 I C 2.382 178.499 176.117 0.001 0.000 1.189 173 I CA 0.637 61.939 61.300 0.004 0.000 1.462 173 I CB -0.779 37.226 38.000 0.007 0.000 1.092 173 I HN 0.202 nan 8.210 nan 0.000 0.442 174 I N -0.012 120.559 120.570 0.001 0.000 2.091 174 I HA -0.222 3.948 4.170 0.001 0.000 0.239 174 I C 2.413 178.528 176.117 -0.003 0.000 1.061 174 I CA 1.834 63.133 61.300 -0.001 0.000 1.317 174 I CB -1.110 36.890 38.000 0.000 0.000 1.031 174 I HN 0.084 nan 8.210 nan 0.000 0.401 175 V N 1.583 121.496 119.914 -0.001 0.000 2.392 175 V HA -0.252 3.868 4.120 0.001 0.000 0.249 175 V C 2.603 178.694 176.094 -0.005 0.000 1.059 175 V CA 2.305 64.604 62.300 -0.003 0.000 1.051 175 V CB -1.007 30.815 31.823 -0.001 0.000 0.658 175 V HN 0.488 nan 8.190 nan 0.000 0.455 176 E N -0.023 120.174 120.200 -0.004 0.000 2.333 176 E HA -0.146 4.205 4.350 0.001 0.000 0.198 176 E C 2.068 178.662 176.600 -0.011 0.000 1.007 176 E CA 1.129 57.525 56.400 -0.007 0.000 0.845 176 E CB -0.149 29.549 29.700 -0.004 0.000 0.766 176 E HN 0.654 nan 8.360 nan 0.000 0.507 177 A N 0.558 123.372 122.820 -0.010 0.000 2.035 177 A HA 0.040 4.360 4.320 0.001 0.000 0.208 177 A C 2.133 179.707 177.584 -0.018 0.000 1.206 177 A CA 0.157 52.185 52.037 -0.014 0.000 0.773 177 A CB 0.056 19.049 19.000 -0.012 0.000 0.878 177 A HN 0.187 nan 8.150 nan 0.000 0.469 178 V N -0.355 119.550 119.914 -0.014 0.000 2.871 178 V HA -0.058 4.062 4.120 0.001 0.000 0.256 178 V C 1.952 178.036 176.094 -0.017 0.000 1.082 178 V CA 2.521 64.812 62.300 -0.015 0.000 1.105 178 V CB -0.216 31.600 31.823 -0.012 0.000 0.713 178 V HN 0.404 nan 8.190 nan 0.000 0.473 179 S N 0.294 115.985 115.700 -0.016 0.000 2.481 179 S HA 0.130 4.600 4.470 0.001 0.000 0.231 179 S C 1.922 176.507 174.600 -0.025 0.000 0.996 179 S CA 1.162 59.351 58.200 -0.017 0.000 0.942 179 S CB -0.091 63.101 63.200 -0.013 0.000 0.768 179 S HN 0.855 nan 8.310 nan 0.000 0.520 180 A N 0.741 123.543 122.820 -0.029 0.000 2.044 180 A HA 0.164 4.484 4.320 0.001 0.000 0.213 180 A C 2.201 179.751 177.584 -0.058 0.000 1.169 180 A CA 0.732 52.744 52.037 -0.042 0.000 0.724 180 A CB -0.430 18.547 19.000 -0.037 0.000 0.840 180 A HN 0.452 nan 8.150 nan 0.000 0.463 181 V N -2.500 117.386 119.914 -0.046 0.000 2.488 181 V HA 0.101 4.221 4.120 0.001 0.000 0.246 181 V C 1.180 177.250 176.094 -0.040 0.000 1.046 181 V CA 1.100 63.372 62.300 -0.046 0.000 1.053 181 V CB -0.739 31.064 31.823 -0.034 0.000 0.679 181 V HN 0.249 nan 8.190 nan 0.000 0.458 182 V N 4.528 124.423 119.914 -0.031 0.000 2.350 182 V HA 0.360 4.480 4.120 0.001 0.000 0.276 182 V C -0.390 175.690 176.094 -0.023 0.000 1.028 182 V CA -0.798 61.488 62.300 -0.023 0.000 0.860 182 V CB 0.874 32.688 31.823 -0.015 0.000 0.990 182 V HN 0.753 nan 8.190 nan 0.000 0.453 183 D N 4.568 124.956 120.400 -0.020 0.000 2.383 183 D HA 0.048 4.688 4.640 0.001 0.000 0.252 183 D C 0.137 176.433 176.300 -0.006 0.000 1.166 183 D CA 0.165 54.158 54.000 -0.012 0.000 0.879 183 D CB 1.131 41.927 40.800 -0.007 0.000 1.164 183 D HN 0.766 nan 8.370 nan 0.000 0.462 184 D N 1.750 122.148 120.400 -0.004 0.000 2.718 184 D HA -0.220 4.421 4.640 0.001 0.000 0.242 184 D C -0.403 175.895 176.300 -0.003 0.000 1.123 184 D CA 0.688 54.687 54.000 -0.002 0.000 0.690 184 D CB -1.211 39.590 40.800 0.001 0.000 1.059 184 D HN 0.662 nan 8.370 nan 0.000 0.429 185 E N 0.171 120.369 120.200 -0.004 0.000 2.249 185 E HA -0.026 4.324 4.350 0.001 0.000 0.335 185 E C 1.040 177.638 176.600 -0.003 0.000 0.669 185 E CA 1.508 57.905 56.400 -0.004 0.000 1.245 185 E CB -0.788 28.909 29.700 -0.004 0.000 0.550 185 E HN 0.862 nan 8.360 nan 0.000 0.426 186 G N 3.404 112.202 108.800 -0.004 0.000 2.337 186 G HA2 -0.203 3.758 3.960 0.001 0.000 0.134 186 G HA3 -0.203 3.758 3.960 0.001 0.000 0.134 186 G C -0.314 174.585 174.900 -0.002 0.000 1.052 186 G CA -0.008 45.090 45.100 -0.003 0.000 0.737 186 G HN 0.496 nan 8.290 nan 0.000 0.485 187 K N -0.566 119.832 120.400 -0.003 0.000 2.557 187 K HA 0.571 4.891 4.320 0.001 0.000 0.257 187 K C -1.344 175.253 176.600 -0.005 0.000 0.933 187 K CA -0.781 55.505 56.287 -0.003 0.000 0.820 187 K CB 2.392 34.891 32.500 -0.002 0.000 1.330 187 K HN 0.500 nan 8.250 nan 0.000 0.432 188 V N 4.370 124.281 119.914 -0.005 0.000 2.320 188 V HA 0.333 4.453 4.120 0.001 0.000 0.257 188 V C -1.462 174.628 176.094 -0.007 0.000 0.996 188 V CA -0.417 61.879 62.300 -0.006 0.000 0.928 188 V CB 0.723 32.542 31.823 -0.008 0.000 1.169 188 V HN 0.727 nan 8.190 nan 0.000 0.475 189 D N 4.251 124.646 120.400 -0.009 0.000 2.274 189 D HA 0.300 4.940 4.640 0.001 0.000 0.239 189 D C 0.918 177.212 176.300 -0.010 0.000 1.104 189 D CA -0.335 53.660 54.000 -0.009 0.000 0.840 189 D CB 2.067 42.861 40.800 -0.010 0.000 1.100 189 D HN 0.530 nan 8.370 nan 0.000 0.477 190 K N 2.146 122.541 120.400 -0.009 0.000 1.973 190 K HA -0.165 4.155 4.320 0.001 0.000 0.210 190 K C 1.105 177.697 176.600 -0.013 0.000 1.045 190 K CA 0.677 56.958 56.287 -0.010 0.000 0.937 190 K CB -0.241 32.254 32.500 -0.008 0.000 0.721 190 K HN 0.213 nan 8.250 nan 0.000 0.438 191 D N 1.277 121.669 120.400 -0.012 0.000 3.248 191 D HA -0.215 4.425 4.640 0.001 0.000 0.190 191 D C 1.806 178.095 176.300 -0.019 0.000 1.167 191 D CA 2.216 56.207 54.000 -0.015 0.000 0.914 191 D CB -0.037 40.756 40.800 -0.012 0.000 0.880 191 D HN 0.325 nan 8.370 nan 0.000 0.498 192 L N -0.550 120.662 121.223 -0.018 0.000 2.141 192 L HA 0.040 4.380 4.340 0.001 0.000 0.209 192 L C 0.781 177.636 176.870 -0.026 0.000 1.094 192 L CA 1.178 56.005 54.840 -0.022 0.000 0.763 192 L CB -1.448 40.598 42.059 -0.021 0.000 0.908 192 L HN 0.033 nan 8.230 nan 0.000 0.437 193 I N 2.352 122.908 120.570 -0.024 0.000 2.269 193 I HA 0.192 4.362 4.170 0.001 0.000 0.293 193 I C 0.713 176.813 176.117 -0.028 0.000 1.106 193 I CA 0.151 61.436 61.300 -0.025 0.000 1.248 193 I CB 0.392 38.380 38.000 -0.020 0.000 1.444 193 I HN 0.162 nan 8.210 nan 0.000 0.497 194 K N 7.161 127.539 120.400 -0.037 0.000 2.107 194 K HA 0.493 4.813 4.320 0.001 0.000 0.251 194 K C -0.423 176.153 176.600 -0.039 0.000 1.012 194 K CA -0.579 55.682 56.287 -0.042 0.000 0.920 194 K CB 1.029 33.495 32.500 -0.056 0.000 1.033 194 K HN 0.575 nan 8.250 nan 0.000 0.478 195 I N 0.973 121.519 120.570 -0.039 0.000 2.563 195 I HA 0.347 4.517 4.170 0.001 0.000 0.276 195 I C -0.857 175.235 176.117 -0.042 0.000 1.074 195 I CA -0.805 60.475 61.300 -0.034 0.000 1.124 195 I CB 0.403 38.388 38.000 -0.025 0.000 1.225 195 I HN 0.544 nan 8.210 nan 0.000 0.482 196 E N 5.228 125.396 120.200 -0.054 0.000 2.343 196 E HA 0.539 4.889 4.350 0.001 0.000 0.269 196 E C -0.882 175.697 176.600 -0.035 0.000 1.047 196 E CA -0.191 56.174 56.400 -0.059 0.000 0.874 196 E CB 1.115 30.755 29.700 -0.100 0.000 1.033 196 E HN 0.584 nan 8.360 nan 0.000 0.409 197 K N 3.248 123.631 120.400 -0.029 0.000 2.616 197 K HA 0.491 4.811 4.320 0.001 0.000 0.241 197 K C -0.977 175.621 176.600 -0.004 0.000 0.961 197 K CA -0.893 55.387 56.287 -0.012 0.000 0.942 197 K CB 1.464 33.952 32.500 -0.020 0.000 1.153 197 K HN 0.080 nan 8.250 nan 0.000 0.452 198 K N 1.335 121.742 120.400 0.012 0.000 2.443 198 K HA 0.263 4.583 4.320 0.001 0.000 0.252 198 K C -0.518 176.101 176.600 0.032 0.000 0.933 198 K CA -0.690 55.613 56.287 0.027 0.000 0.792 198 K CB 2.200 34.725 32.500 0.043 0.000 1.185 198 K HN 0.649 nan 8.250 nan 0.000 0.425 199 S N 1.257 116.975 115.700 0.030 0.000 2.575 199 S HA 0.327 4.798 4.470 0.001 0.000 0.295 199 S C 0.394 175.013 174.600 0.032 0.000 1.267 199 S CA 1.067 59.284 58.200 0.029 0.000 1.074 199 S CB -0.389 62.826 63.200 0.026 0.000 0.829 199 S HN 0.863 nan 8.310 nan 0.000 0.497 200 G N 2.400 111.217 108.800 0.028 0.000 3.233 200 G HA2 0.521 4.482 3.960 0.001 0.000 0.686 200 G HA3 0.521 4.482 3.960 0.001 0.000 0.686 200 G C -0.292 174.623 174.900 0.025 0.000 1.153 200 G CA -0.203 44.913 45.100 0.025 0.000 0.853 200 G HN 2.429 nan 8.290 nan 0.000 0.582 201 A N 0.037 122.869 122.820 0.020 0.000 2.307 201 A HA 0.837 5.158 4.320 0.001 0.000 0.296 201 A C 0.234 177.827 177.584 0.015 0.000 0.973 201 A CA 0.837 52.886 52.037 0.019 0.000 0.513 201 A CB -0.776 18.235 19.000 0.018 0.000 1.667 201 A HN 2.566 nan 8.150 nan 0.000 0.703 202 S N -1.883 113.826 115.700 0.015 0.000 2.855 202 S HA 0.720 5.190 4.470 0.001 0.000 0.308 202 S C 1.370 175.979 174.600 0.015 0.000 1.077 202 S CA -0.045 58.164 58.200 0.014 0.000 0.896 202 S CB 0.521 63.727 63.200 0.010 0.000 1.339 202 S HN 1.407 nan 8.310 nan 0.000 0.602 203 I N -0.071 120.507 120.570 0.014 0.000 3.001 203 I HA 0.086 4.257 4.170 0.001 0.000 0.268 203 I C 0.029 176.154 176.117 0.014 0.000 1.267 203 I CA 1.138 62.446 61.300 0.015 0.000 1.472 203 I CB -0.771 37.236 38.000 0.013 0.000 1.089 203 I HN 0.329 nan 8.210 nan 0.000 0.468 204 D N -0.317 120.090 120.400 0.012 0.000 2.431 204 D HA -0.001 4.640 4.640 0.001 0.000 0.213 204 D C 1.169 177.477 176.300 0.013 0.000 1.130 204 D CA 0.101 54.108 54.000 0.011 0.000 0.834 204 D CB 0.275 41.079 40.800 0.008 0.000 0.985 204 D HN 0.153 nan 8.370 nan 0.000 0.504 205 D N 0.462 120.871 120.400 0.016 0.000 2.398 205 D HA -0.002 4.638 4.640 0.001 0.000 0.210 205 D C -0.203 176.112 176.300 0.025 0.000 1.094 205 D CA 0.260 54.271 54.000 0.018 0.000 0.839 205 D CB 0.404 41.215 40.800 0.018 0.000 0.963 205 D HN -0.006 nan 8.370 nan 0.000 0.506 206 T N 2.028 116.597 114.554 0.025 0.000 2.657 206 T HA -0.081 4.269 4.350 0.001 0.000 0.245 206 T C 0.350 175.066 174.700 0.027 0.000 1.021 206 T CA 0.578 62.694 62.100 0.026 0.000 1.155 206 T CB 0.130 69.010 68.868 0.020 0.000 1.022 206 T HN 0.281 nan 8.240 nan 0.000 0.477 207 E N 1.504 121.725 120.200 0.034 0.000 2.392 207 E HA 0.670 5.020 4.350 0.001 0.000 0.269 207 E C -1.205 175.415 176.600 0.033 0.000 0.924 207 E CA -1.360 55.061 56.400 0.035 0.000 0.784 207 E CB 1.560 31.290 29.700 0.050 0.000 1.292 207 E HN 0.367 nan 8.360 nan 0.000 0.447 208 L N 2.299 123.539 121.223 0.028 0.000 2.366 208 L HA 0.377 4.717 4.340 0.001 0.000 0.266 208 L C -0.771 176.117 176.870 0.029 0.000 1.010 208 L CA -0.632 54.221 54.840 0.021 0.000 0.879 208 L CB 0.932 42.997 42.059 0.010 0.000 1.228 208 L HN 0.631 nan 8.230 nan 0.000 0.439 209 I N 2.207 122.801 120.570 0.041 0.000 2.436 209 I HA 0.228 4.398 4.170 0.001 0.000 0.289 209 I C 1.094 177.227 176.117 0.026 0.000 1.083 209 I CA -0.424 60.908 61.300 0.054 0.000 1.372 209 I CB 0.826 38.882 38.000 0.093 0.000 1.408 209 I HN 0.835 nan 8.210 nan 0.000 0.516 210 K N 4.360 124.774 120.400 0.022 0.000 2.589 210 K HA 0.050 4.371 4.320 0.001 0.000 0.195 210 K C 0.614 177.216 176.600 0.004 0.000 1.042 210 K CA 0.944 57.237 56.287 0.009 0.000 0.940 210 K CB -0.229 32.268 32.500 -0.005 0.000 0.776 210 K HN 0.917 nan 8.250 nan 0.000 0.487 211 G N 0.048 108.851 108.800 0.006 0.000 3.310 211 G HA2 0.413 4.373 3.960 0.001 0.000 0.174 211 G HA3 0.413 4.373 3.960 0.001 0.000 0.174 211 G C -1.330 173.546 174.900 -0.041 0.000 1.097 211 G CA -0.550 44.544 45.100 -0.010 0.000 0.795 211 G HN -0.013 nan 8.290 nan 0.000 0.670 212 V N 0.981 120.853 119.914 -0.070 0.000 2.409 212 V HA 0.531 4.651 4.120 0.001 0.000 0.291 212 V C -0.813 175.175 176.094 -0.177 0.000 1.020 212 V CA -0.412 61.813 62.300 -0.125 0.000 0.848 212 V CB 1.392 33.130 31.823 -0.143 0.000 0.990 212 V HN 0.481 nan 8.190 nan 0.000 0.430 213 L N 7.094 128.188 121.223 -0.215 0.000 2.324 213 L HA 0.619 4.959 4.340 0.001 0.000 0.274 213 L C 0.035 176.748 176.870 -0.262 0.000 1.012 213 L CA -0.383 54.255 54.840 -0.336 0.000 0.859 213 L CB 1.391 43.144 42.059 -0.510 0.000 1.224 213 L HN 0.661 nan 8.230 nan 0.000 0.429 214 V N 0.740 120.525 119.914 -0.215 0.000 3.653 214 V HA 0.542 4.662 4.120 0.001 0.000 0.281 214 V C -0.239 175.801 176.094 -0.089 0.000 1.132 214 V CA -0.485 61.732 62.300 -0.138 0.000 0.915 214 V CB 1.397 33.143 31.823 -0.129 0.000 1.241 214 V HN 0.605 nan 8.190 nan 0.000 0.441 215 D N 0.348 120.730 120.400 -0.030 0.000 3.010 215 D HA 0.343 4.983 4.640 0.001 0.000 0.347 215 D C -0.753 175.563 176.300 0.026 0.000 1.340 215 D CA -0.198 53.794 54.000 -0.013 0.000 0.858 215 D CB -0.011 40.770 40.800 -0.030 0.000 1.111 215 D HN 0.501 nan 8.370 nan 0.000 0.482 216 K N 0.862 121.296 120.400 0.056 0.000 2.507 216 K HA 0.344 4.664 4.320 0.001 0.000 0.251 216 K C 0.045 176.697 176.600 0.087 0.000 0.943 216 K CA -0.573 55.769 56.287 0.092 0.000 0.794 216 K CB 2.308 34.881 32.500 0.122 0.000 1.188 216 K HN 0.074 nan 8.250 nan 0.000 0.428 217 E N 1.622 121.857 120.200 0.058 0.000 2.342 217 E HA 0.310 4.660 4.350 0.001 0.000 0.257 217 E C -0.204 176.409 176.600 0.021 0.000 1.150 217 E CA -0.701 55.722 56.400 0.039 0.000 0.926 217 E CB 0.930 30.645 29.700 0.025 0.000 1.074 217 E HN 0.121 nan 8.360 nan 0.000 0.449 218 R N 1.348 121.854 120.500 0.009 0.000 2.221 218 R HA 0.075 4.416 4.340 0.001 0.000 0.327 218 R C 1.161 177.448 176.300 -0.021 0.000 1.033 218 R CA -0.184 55.903 56.100 -0.022 0.000 0.887 218 R CB 0.950 31.236 30.300 -0.023 0.000 1.057 218 R HN 0.581 nan 8.270 nan 0.000 0.455 219 V N 1.530 121.425 119.914 -0.031 0.000 2.250 219 V HA -0.272 3.848 4.120 0.001 0.000 0.250 219 V C 1.071 177.154 176.094 -0.019 0.000 1.039 219 V CA 1.814 64.101 62.300 -0.022 0.000 1.042 219 V CB -0.703 31.105 31.823 -0.025 0.000 0.673 219 V HN 0.659 nan 8.190 nan 0.000 0.477 220 S N 0.229 115.909 115.700 -0.034 0.000 2.545 220 S HA 0.638 5.108 4.470 0.001 0.000 0.275 220 S C 0.775 175.345 174.600 -0.050 0.000 1.299 220 S CA -0.195 57.978 58.200 -0.045 0.000 1.048 220 S CB 1.093 64.248 63.200 -0.074 0.000 0.938 220 S HN 1.203 nan 8.310 nan 0.000 0.496 221 A N 4.171 126.966 122.820 -0.042 0.000 2.275 221 A HA 0.157 4.477 4.320 0.001 0.000 0.212 221 A C 1.867 179.421 177.584 -0.050 0.000 1.201 221 A CA 0.126 52.143 52.037 -0.034 0.000 0.843 221 A CB -0.367 18.626 19.000 -0.011 0.000 0.873 221 A HN 0.771 nan 8.150 nan 0.000 0.492 222 Q N 0.195 119.937 119.800 -0.098 0.000 2.045 222 Q HA -0.071 4.269 4.340 0.001 0.000 0.206 222 Q C 0.822 176.759 176.000 -0.105 0.000 0.991 222 Q CA 1.316 57.031 55.803 -0.148 0.000 0.851 222 Q CB -0.476 28.075 28.738 -0.311 0.000 0.911 222 Q HN 0.700 nan 8.270 nan 0.000 0.418 223 M N 1.940 121.485 119.600 -0.092 0.000 2.364 223 M HA 0.081 4.561 4.480 0.001 0.000 0.342 223 M C -2.046 174.223 176.300 -0.051 0.000 1.601 223 M CA -1.479 53.779 55.300 -0.070 0.000 1.156 223 M CB 0.510 33.066 32.600 -0.072 0.000 1.912 223 M HN -0.136 nan 8.290 nan 0.000 0.460 224 P HA -0.146 nan 4.420 nan 0.000 0.257 224 P C -0.399 176.888 177.300 -0.022 0.000 1.153 224 P CA 0.621 63.703 63.100 -0.029 0.000 0.762 224 P CB 0.352 32.038 31.700 -0.024 0.000 0.743 225 K N 4.523 124.913 120.400 -0.016 0.000 3.216 225 K HA 0.154 4.474 4.320 0.001 0.000 0.277 225 K C -0.037 176.562 176.600 -0.003 0.000 1.246 225 K CA 0.250 56.533 56.287 -0.007 0.000 1.227 225 K CB -0.974 31.522 32.500 -0.007 0.000 1.487 225 K HN 0.329 nan 8.250 nan 0.000 0.341 226 K N -1.032 119.367 120.400 -0.002 0.000 3.002 226 K HA 0.012 4.332 4.320 0.001 0.000 0.357 226 K C -1.638 174.965 176.600 0.005 0.000 1.293 226 K CA -0.318 55.973 56.287 0.006 0.000 1.032 226 K CB -0.068 32.431 32.500 -0.002 0.000 1.294 226 K HN -0.071 nan 8.250 nan 0.000 0.432 227 V N 1.973 121.895 119.914 0.014 0.000 2.715 227 V HA 0.533 4.654 4.120 0.001 0.000 0.310 227 V C 1.122 177.228 176.094 0.020 0.000 1.054 227 V CA -0.280 62.028 62.300 0.013 0.000 0.928 227 V CB 1.339 33.168 31.823 0.010 0.000 1.007 227 V HN 0.981 nan 8.190 nan 0.000 0.437 228 T N 0.944 115.507 114.554 0.015 0.000 4.160 228 T HA 0.103 4.453 4.350 0.001 0.000 0.200 228 T C 0.007 174.720 174.700 0.022 0.000 0.730 228 T CA 0.097 62.207 62.100 0.016 0.000 2.369 228 T CB -0.239 68.635 68.868 0.010 0.000 2.049 228 T HN 0.622 nan 8.240 nan 0.000 0.309 229 D N 1.992 122.403 120.400 0.019 0.000 2.374 229 D HA 0.570 5.210 4.640 0.001 0.000 0.240 229 D C -0.563 175.752 176.300 0.024 0.000 1.229 229 D CA 0.155 54.168 54.000 0.023 0.000 0.895 229 D CB 0.307 41.119 40.800 0.020 0.000 1.046 229 D HN 0.737 nan 8.370 nan 0.000 0.498 230 A N 2.839 125.679 122.820 0.034 0.000 2.324 230 A HA 0.585 4.906 4.320 0.001 0.000 0.330 230 A C -0.309 177.300 177.584 0.043 0.000 1.165 230 A CA -0.915 51.144 52.037 0.038 0.000 0.813 230 A CB 0.790 19.822 19.000 0.053 0.000 1.197 230 A HN 0.268 nan 8.150 nan 0.000 0.484 231 K N 2.716 123.139 120.400 0.037 0.000 2.356 231 K HA 0.406 4.726 4.320 0.001 0.000 0.243 231 K C -0.575 176.056 176.600 0.052 0.000 1.072 231 K CA 0.010 56.321 56.287 0.039 0.000 1.014 231 K CB 0.405 32.920 32.500 0.025 0.000 1.523 231 K HN 0.595 nan 8.250 nan 0.000 0.455 232 I N 2.039 122.659 120.570 0.085 0.000 2.588 232 I HA 0.160 4.330 4.170 0.001 0.000 0.283 232 I C 0.525 176.714 176.117 0.120 0.000 1.119 232 I CA -0.437 60.949 61.300 0.143 0.000 1.419 232 I CB 1.026 39.162 38.000 0.226 0.000 1.394 232 I HN 0.518 nan 8.210 nan 0.000 0.562 233 A N 7.724 130.614 122.820 0.117 0.000 2.295 233 A HA 0.754 5.074 4.320 0.001 0.000 0.318 233 A C -0.530 177.134 177.584 0.134 0.000 1.134 233 A CA -0.603 51.488 52.037 0.089 0.000 0.827 233 A CB 0.936 19.966 19.000 0.049 0.000 1.136 233 A HN 0.702 nan 8.150 nan 0.000 0.493 234 L N 2.544 123.824 121.223 0.095 0.000 2.318 234 L HA 0.395 4.736 4.340 0.001 0.000 0.277 234 L C -1.203 175.707 176.870 0.067 0.000 1.008 234 L CA -0.108 54.790 54.840 0.097 0.000 0.846 234 L CB 0.868 42.967 42.059 0.067 0.000 1.220 234 L HN 0.553 nan 8.230 nan 0.000 0.423 235 L N 3.915 125.179 121.223 0.069 0.000 2.298 235 L HA 0.329 4.669 4.340 0.001 0.000 0.284 235 L C 1.307 178.206 176.870 0.048 0.000 1.013 235 L CA -0.299 54.568 54.840 0.046 0.000 0.824 235 L CB 1.519 43.601 42.059 0.038 0.000 1.221 235 L HN 0.560 nan 8.230 nan 0.000 0.418 236 N N 1.924 120.645 118.700 0.035 0.000 2.457 236 N HA -0.067 4.674 4.740 0.001 0.000 0.180 236 N C -0.111 175.413 175.510 0.024 0.000 1.050 236 N CA 0.171 53.238 53.050 0.029 0.000 0.906 236 N CB 0.451 38.950 38.487 0.021 0.000 0.968 236 N HN 0.555 nan 8.380 nan 0.000 0.445 237 C N 0.453 119.766 119.300 0.022 0.000 2.779 237 C HA 0.765 5.225 4.460 0.001 0.000 0.314 237 C C 0.082 175.082 174.990 0.018 0.000 1.231 237 C CA -0.598 58.431 59.018 0.017 0.000 1.652 237 C CB 0.665 28.413 27.740 0.013 0.000 2.198 237 C HN 0.487 nan 8.230 nan 0.000 0.483 238 A N 3.394 126.223 122.820 0.015 0.000 2.591 238 A HA -0.003 4.317 4.320 0.001 0.000 0.265 238 A C 0.121 177.714 177.584 0.015 0.000 0.946 238 A CA 1.016 53.062 52.037 0.015 0.000 0.928 238 A CB -0.338 18.669 19.000 0.012 0.000 0.816 238 A HN 1.217 nan 8.150 nan 0.000 0.466 239 I N 2.283 122.863 120.570 0.017 0.000 3.207 239 I HA 0.197 4.367 4.170 0.001 0.000 0.343 239 I C 0.483 176.613 176.117 0.021 0.000 1.378 239 I CA -0.138 61.173 61.300 0.017 0.000 1.004 239 I CB -0.280 37.730 38.000 0.018 0.000 1.836 239 I HN 0.779 nan 8.210 nan 0.000 0.513 240 E N 2.006 122.218 120.200 0.019 0.000 2.151 240 E HA 0.511 4.862 4.350 0.001 0.000 0.275 240 E C -1.080 175.530 176.600 0.017 0.000 0.936 240 E CA -0.705 55.706 56.400 0.020 0.000 0.777 240 E CB 1.738 31.448 29.700 0.017 0.000 1.108 240 E HN 0.131 nan 8.360 nan 0.000 0.401 241 E N 2.049 122.261 120.200 0.020 0.000 2.445 241 E HA 0.300 4.651 4.350 0.001 0.000 0.273 241 E C -0.911 175.701 176.600 0.020 0.000 0.961 241 E CA -1.091 55.319 56.400 0.016 0.000 0.807 241 E CB 2.021 31.730 29.700 0.015 0.000 1.362 241 E HN 0.485 nan 8.360 nan 0.000 0.453 242 T N 1.185 115.749 114.554 0.016 0.000 2.761 242 T HA 0.392 4.743 4.350 0.001 0.000 0.296 242 T C -0.111 174.602 174.700 0.021 0.000 0.934 242 T CA 0.178 62.288 62.100 0.017 0.000 1.091 242 T CB 0.067 68.942 68.868 0.013 0.000 0.896 242 T HN 0.579 nan 8.240 nan 0.000 0.515 243 A N 4.443 127.278 122.820 0.026 0.000 1.834 243 A HA 0.096 4.416 4.320 0.001 0.000 0.339 243 A C 0.966 178.573 177.584 0.038 0.000 0.986 243 A CA 1.057 53.113 52.037 0.032 0.000 1.549 243 A CB -1.099 17.919 19.000 0.029 0.000 0.635 243 A HN 1.464 nan 8.150 nan 0.000 0.206 244 S N 0.363 116.099 115.700 0.059 0.000 3.697 244 S HA -0.210 4.260 4.470 0.001 0.000 0.638 244 S C 1.121 175.756 174.600 0.058 0.000 2.176 244 S CA 1.511 59.755 58.200 0.072 0.000 2.349 244 S CB -1.091 62.157 63.200 0.079 0.000 0.329 244 S HN 2.062 nan 8.310 nan 0.000 1.794 245 E N -0.400 119.825 120.200 0.042 0.000 3.385 245 E HA -0.416 3.935 4.350 0.001 0.000 0.248 245 E C 1.749 178.348 176.600 -0.000 0.000 1.077 245 E CA 2.805 59.212 56.400 0.011 0.000 1.827 245 E CB -0.738 28.965 29.700 0.006 0.000 1.724 245 E HN 0.580 nan 8.360 nan 0.000 0.326 246 M N -0.071 119.533 119.600 0.006 0.000 2.103 246 M HA -0.255 4.225 4.480 0.001 0.000 0.255 246 M C 2.494 178.796 176.300 0.003 0.000 1.074 246 M CA 1.816 57.118 55.300 0.003 0.000 1.090 246 M CB -0.324 32.279 32.600 0.004 0.000 1.325 246 M HN 0.340 nan 8.290 nan 0.000 0.403 247 L N -0.413 120.825 121.223 0.024 0.000 2.376 247 L HA -0.145 4.195 4.340 0.001 0.000 0.219 247 L C 2.439 179.325 176.870 0.026 0.000 1.133 247 L CA 0.918 55.781 54.840 0.040 0.000 0.816 247 L CB -0.260 41.843 42.059 0.072 0.000 0.933 247 L HN 0.314 nan 8.230 nan 0.000 0.449 248 K N -0.205 120.177 120.400 -0.031 0.000 2.155 248 K HA -0.169 4.152 4.320 0.001 0.000 0.203 248 K C 1.259 177.741 176.600 -0.196 0.000 1.052 248 K CA 1.378 57.532 56.287 -0.222 0.000 0.948 248 K CB 0.190 32.453 32.500 -0.394 0.000 0.728 248 K HN 0.236 nan 8.250 nan 0.000 0.448 249 D N 0.225 120.561 120.400 -0.107 0.000 2.269 249 D HA -0.075 4.566 4.640 0.001 0.000 0.208 249 D C 1.559 177.825 176.300 -0.058 0.000 0.963 249 D CA 1.008 54.962 54.000 -0.077 0.000 0.864 249 D CB 0.122 40.889 40.800 -0.056 0.000 0.936 249 D HN 0.283 nan 8.370 nan 0.000 0.505 250 M N -0.551 119.023 119.600 -0.044 0.000 2.394 250 M HA -0.019 4.461 4.480 0.001 0.000 0.266 250 M C 1.938 178.220 176.300 -0.030 0.000 1.098 250 M CA 0.552 55.836 55.300 -0.026 0.000 1.149 250 M CB 0.272 32.866 32.600 -0.009 0.000 1.369 250 M HN -0.142 nan 8.290 nan 0.000 0.450 251 V N -0.291 119.596 119.914 -0.046 0.000 2.719 251 V HA 0.024 4.144 4.120 0.001 0.000 0.252 251 V C 2.312 178.365 176.094 -0.068 0.000 1.065 251 V CA 1.524 63.798 62.300 -0.043 0.000 1.086 251 V CB -1.322 30.500 31.823 -0.000 0.000 0.700 251 V HN 0.469 nan 8.190 nan 0.000 0.467 252 A N -0.409 122.348 122.820 -0.105 0.000 2.275 252 A HA 0.068 4.388 4.320 0.001 0.000 0.212 252 A C 2.046 179.595 177.584 -0.057 0.000 1.201 252 A CA 0.608 52.589 52.037 -0.094 0.000 0.843 252 A CB -0.151 18.770 19.000 -0.133 0.000 0.873 252 A HN 0.363 nan 8.150 nan 0.000 0.492 253 E N 0.001 120.174 120.200 -0.046 0.000 2.472 253 E HA 0.104 4.455 4.350 0.001 0.000 0.196 253 E C 1.252 177.840 176.600 -0.020 0.000 1.033 253 E CA 0.248 56.630 56.400 -0.030 0.000 0.886 253 E CB -0.101 29.582 29.700 -0.027 0.000 0.944 253 E HN 0.644 nan 8.360 nan 0.000 0.492 254 I N 0.628 121.187 120.570 -0.020 0.000 2.296 254 I HA -0.117 4.053 4.170 0.001 0.000 0.242 254 I C 2.338 178.447 176.117 -0.012 0.000 1.087 254 I CA 0.857 62.150 61.300 -0.012 0.000 1.393 254 I CB -0.148 37.845 38.000 -0.011 0.000 1.093 254 I HN -0.067 nan 8.210 nan 0.000 0.421 255 K N 1.824 122.215 120.400 -0.015 0.000 2.589 255 K HA -0.082 4.239 4.320 0.001 0.000 0.195 255 K C 1.638 178.230 176.600 -0.014 0.000 1.040 255 K CA 1.078 57.357 56.287 -0.013 0.000 0.950 255 K CB 0.022 32.515 32.500 -0.012 0.000 0.781 255 K HN 0.348 nan 8.250 nan 0.000 0.486 256 A N -0.439 122.372 122.820 -0.015 0.000 1.956 256 A HA 0.071 4.391 4.320 0.001 0.000 0.212 256 A C 1.977 179.556 177.584 -0.009 0.000 1.188 256 A CA 0.953 52.982 52.037 -0.014 0.000 0.675 256 A CB -0.108 18.883 19.000 -0.016 0.000 0.845 256 A HN 0.311 nan 8.150 nan 0.000 0.455 257 S N -1.547 114.149 115.700 -0.007 0.000 2.339 257 S HA 0.363 4.834 4.470 0.001 0.000 0.213 257 S C 1.376 175.976 174.600 -0.001 0.000 1.033 257 S CA 1.029 59.227 58.200 -0.004 0.000 0.950 257 S CB 0.171 63.369 63.200 -0.003 0.000 0.893 257 S HN 1.188 nan 8.310 nan 0.000 0.492 258 G N 0.048 108.848 108.800 0.000 0.000 4.718 258 G HA2 0.358 4.318 3.960 0.001 0.000 0.221 258 G HA3 0.358 4.318 3.960 0.001 0.000 0.221 258 G C -0.248 174.655 174.900 0.005 0.000 0.720 258 G CA -0.035 45.066 45.100 0.002 0.000 1.094 258 G HN 0.612 nan 8.290 nan 0.000 0.760 259 A N 0.994 123.815 122.820 0.002 0.000 2.289 259 A HA 0.597 4.917 4.320 0.001 0.000 0.298 259 A C 1.223 178.803 177.584 -0.007 0.000 1.208 259 A CA 0.225 52.264 52.037 0.002 0.000 0.845 259 A CB 0.569 19.568 19.000 -0.001 0.000 1.125 259 A HN 0.512 nan 8.150 nan 0.000 0.517 260 N N 2.035 120.731 118.700 -0.007 0.000 2.409 260 N HA -0.029 4.711 4.740 0.001 0.000 0.179 260 N C -0.287 175.202 175.510 -0.035 0.000 1.032 260 N CA 1.220 54.261 53.050 -0.015 0.000 0.898 260 N CB 0.067 38.547 38.487 -0.011 0.000 0.971 260 N HN 0.273 nan 8.380 nan 0.000 0.441 261 V N 0.649 120.542 119.914 -0.036 0.000 2.686 261 V HA 0.532 4.652 4.120 0.001 0.000 0.306 261 V C -1.238 174.801 176.094 -0.092 0.000 1.065 261 V CA -0.930 61.322 62.300 -0.080 0.000 0.894 261 V CB 1.976 33.802 31.823 0.006 0.000 1.004 261 V HN 0.193 nan 8.190 nan 0.000 0.424 262 L N 4.878 125.946 121.223 -0.258 0.000 2.516 262 L HA 0.690 5.030 4.340 0.001 0.000 0.267 262 L C -1.870 174.792 176.870 -0.346 0.000 0.957 262 L CA -0.032 54.702 54.840 -0.178 0.000 0.860 262 L CB 1.645 43.644 42.059 -0.099 0.000 1.265 262 L HN 0.536 nan 8.230 nan 0.000 0.403 263 F N 4.249 124.203 119.950 0.008 0.000 2.403 263 F HA 0.475 5.002 4.527 0.000 0.000 0.355 263 F C -0.052 175.751 175.800 0.005 0.000 1.119 263 F CA -0.703 57.301 58.000 0.006 0.000 1.007 263 F CB 1.265 40.267 39.000 0.004 0.000 1.194 263 F HN 0.438 nan 8.300 nan 0.000 0.443 264 C N 1.900 121.276 119.300 0.126 0.000 2.281 264 C HA 0.349 4.809 4.460 0.001 0.000 0.323 264 C C 1.357 176.390 174.990 0.072 0.000 1.270 264 C CA -0.950 58.117 59.018 0.082 0.000 1.559 264 C CB 0.733 28.500 27.740 0.045 0.000 2.239 264 C HN 1.021 nan 8.230 nan 0.000 0.488 265 Q N 1.237 121.075 119.800 0.064 0.000 2.515 265 Q HA -0.062 4.279 4.340 0.001 0.000 0.215 265 Q C 0.103 176.123 176.000 0.034 0.000 0.983 265 Q CA 1.282 57.112 55.803 0.045 0.000 0.905 265 Q CB 0.148 28.906 28.738 0.033 0.000 0.961 265 Q HN 0.678 nan 8.270 nan 0.000 0.503 266 K N 0.208 120.627 120.400 0.032 0.000 2.565 266 K HA 0.289 4.609 4.320 0.001 0.000 0.249 266 K C -0.225 176.390 176.600 0.025 0.000 0.958 266 K CA -0.073 56.229 56.287 0.025 0.000 0.806 266 K CB 1.608 34.120 32.500 0.021 0.000 1.194 266 K HN 0.194 nan 8.250 nan 0.000 0.434 267 G N 2.227 111.040 108.800 0.022 0.000 2.504 267 G HA2 0.199 4.160 3.960 0.001 0.000 0.291 267 G HA3 0.199 4.160 3.960 0.001 0.000 0.291 267 G C 0.151 175.062 174.900 0.020 0.000 1.345 267 G CA -0.171 44.941 45.100 0.021 0.000 1.090 267 G HN 0.555 nan 8.290 nan 0.000 0.591 268 I N -1.673 118.908 120.570 0.018 0.000 2.647 268 I HA 0.394 4.565 4.170 0.001 0.000 0.295 268 I C -0.777 175.354 176.117 0.024 0.000 1.078 268 I CA -0.933 60.379 61.300 0.021 0.000 1.048 268 I CB 2.377 40.387 38.000 0.018 0.000 1.239 268 I HN 0.387 nan 8.210 nan 0.000 0.421 269 D N 2.291 122.710 120.400 0.032 0.000 2.451 269 D HA 0.184 4.824 4.640 0.001 0.000 0.259 269 D C 0.621 176.938 176.300 0.028 0.000 1.201 269 D CA -0.058 53.960 54.000 0.029 0.000 1.028 269 D CB 1.082 41.902 40.800 0.034 0.000 1.095 269 D HN 0.658 nan 8.370 nan 0.000 0.539 270 D N -0.028 120.384 120.400 0.021 0.000 2.156 270 D HA -0.236 4.404 4.640 0.001 0.000 0.190 270 D C 1.789 178.103 176.300 0.024 0.000 0.998 270 D CA 1.506 55.517 54.000 0.018 0.000 0.842 270 D CB -0.533 40.275 40.800 0.014 0.000 0.974 270 D HN 0.344 nan 8.370 nan 0.000 0.447 271 L N -0.760 120.469 121.223 0.010 0.000 2.465 271 L HA 0.218 4.558 4.340 0.001 0.000 0.224 271 L C 1.880 178.765 176.870 0.025 0.000 1.145 271 L CA 1.264 56.085 54.840 -0.030 0.000 0.834 271 L CB -0.321 41.679 42.059 -0.099 0.000 0.944 271 L HN 0.065 nan 8.230 nan 0.000 0.451 272 A N -0.622 122.271 122.820 0.122 0.000 2.067 272 A HA -0.064 4.256 4.320 0.001 0.000 0.217 272 A C 2.114 179.774 177.584 0.126 0.000 1.156 272 A CA 1.050 53.200 52.037 0.189 0.000 0.683 272 A CB -0.335 18.756 19.000 0.151 0.000 0.808 272 A HN 0.647 nan 8.150 nan 0.000 0.455 273 Q N -1.323 118.516 119.800 0.064 0.000 2.245 273 Q HA -0.094 4.246 4.340 0.001 0.000 0.201 273 Q C 1.893 177.891 176.000 -0.003 0.000 0.955 273 Q CA 1.015 56.834 55.803 0.026 0.000 0.870 273 Q CB -0.218 28.521 28.738 0.001 0.000 0.945 273 Q HN 0.767 nan 8.270 nan 0.000 0.461 274 H N -0.763 118.270 119.070 -0.062 0.000 2.457 274 H HA -0.096 4.461 4.556 0.000 0.000 0.294 274 H C 0.934 176.197 175.328 -0.108 0.000 1.064 274 H CA 1.240 57.212 56.048 -0.127 0.000 1.330 274 H CB 0.416 30.048 29.762 -0.216 0.000 1.395 274 H HN 0.298 nan 8.280 nan 0.000 0.541 275 Y N -0.047 120.298 120.300 0.075 0.000 2.262 275 Y HA -0.113 4.438 4.550 0.000 0.000 0.295 275 Y C 2.636 178.523 175.900 -0.022 0.000 1.121 275 Y CA 0.061 58.185 58.100 0.040 0.000 1.144 275 Y CB -0.530 37.955 38.460 0.041 0.000 1.043 275 Y HN 0.055 nan 8.280 nan 0.000 0.528 276 L N -0.259 121.046 121.223 0.136 0.000 2.085 276 L HA -0.325 4.016 4.340 0.001 0.000 0.218 276 L C 2.278 179.136 176.870 -0.019 0.000 1.080 276 L CA 2.417 57.278 54.840 0.035 0.000 0.776 276 L CB -1.862 40.198 42.059 0.002 0.000 0.891 276 L HN 0.275 nan 8.230 nan 0.000 0.437 277 A N -1.768 121.005 122.820 -0.078 0.000 2.178 277 A HA -0.059 4.261 4.320 0.001 0.000 0.211 277 A C 2.252 179.757 177.584 -0.132 0.000 1.157 277 A CA 0.287 52.246 52.037 -0.130 0.000 0.780 277 A CB -0.148 18.731 19.000 -0.202 0.000 0.828 277 A HN 0.226 nan 8.150 nan 0.000 0.476 278 K N -0.010 120.331 120.400 -0.099 0.000 2.097 278 K HA -0.114 4.206 4.320 0.001 0.000 0.206 278 K C 1.157 177.766 176.600 0.016 0.000 1.049 278 K CA 1.493 57.776 56.287 -0.007 0.000 0.933 278 K CB -0.003 32.556 32.500 0.099 0.000 0.717 278 K HN 0.581 nan 8.250 nan 0.000 0.442 279 E N -1.182 119.028 120.200 0.016 0.000 2.474 279 E HA 0.052 4.403 4.350 0.001 0.000 0.195 279 E C 0.432 177.029 176.600 -0.005 0.000 1.039 279 E CA 0.207 56.615 56.400 0.012 0.000 0.881 279 E CB 0.669 30.378 29.700 0.015 0.000 0.970 279 E HN 0.450 nan 8.360 nan 0.000 0.486 280 G N 1.422 110.211 108.800 -0.019 0.000 2.143 280 G HA2 -0.260 3.700 3.960 0.001 0.000 0.248 280 G HA3 -0.260 3.700 3.960 0.001 0.000 0.248 280 G C 0.201 175.085 174.900 -0.027 0.000 0.991 280 G CA -0.136 44.950 45.100 -0.023 0.000 0.689 280 G HN 0.241 nan 8.290 nan 0.000 0.522 281 I N 1.894 122.446 120.570 -0.030 0.000 2.322 281 I HA 0.286 4.456 4.170 0.001 0.000 0.292 281 I C 1.272 177.352 176.117 -0.062 0.000 1.060 281 I CA -0.485 60.791 61.300 -0.041 0.000 1.309 281 I CB 0.868 38.850 38.000 -0.031 0.000 1.415 281 I HN 0.139 nan 8.210 nan 0.000 0.492 282 V N 4.018 123.882 119.914 -0.083 0.000 2.863 282 V HA 0.918 5.038 4.120 0.001 0.000 0.307 282 V C 0.149 176.143 176.094 -0.166 0.000 1.061 282 V CA -0.556 61.677 62.300 -0.113 0.000 1.024 282 V CB 1.497 33.248 31.823 -0.121 0.000 1.049 282 V HN 0.811 nan 8.190 nan 0.000 0.471 283 A N 2.159 124.872 122.820 -0.179 0.000 2.520 283 A HA 0.945 5.265 4.320 0.001 0.000 0.298 283 A C -0.401 177.067 177.584 -0.194 0.000 1.051 283 A CA -0.249 51.667 52.037 -0.200 0.000 0.690 283 A CB 1.686 20.622 19.000 -0.106 0.000 1.281 283 A HN 2.279 nan 8.150 nan 0.000 0.402 284 A N 2.236 124.929 122.820 -0.211 0.000 2.332 284 A HA 0.684 5.004 4.320 0.001 0.000 0.300 284 A C 0.084 177.675 177.584 0.012 0.000 1.153 284 A CA -0.641 51.346 52.037 -0.084 0.000 0.764 284 A CB 0.479 19.459 19.000 -0.033 0.000 1.174 284 A HN 1.205 nan 8.150 nan 0.000 0.467 285 R N 1.691 122.202 120.500 0.018 0.000 2.490 285 R HA 0.619 4.959 4.340 0.001 0.000 0.278 285 R C 0.034 176.359 176.300 0.041 0.000 1.069 285 R CA -0.364 55.751 56.100 0.026 0.000 1.080 285 R CB 0.351 30.660 30.300 0.016 0.000 1.030 285 R HN 0.579 nan 8.270 nan 0.000 0.491 286 R N 0.169 120.690 120.500 0.037 0.000 4.000 286 R HA -0.133 4.207 4.340 0.001 0.000 0.362 286 R C -0.623 175.700 176.300 0.039 0.000 1.183 286 R CA 1.110 57.230 56.100 0.032 0.000 1.011 286 R CB -2.355 27.958 30.300 0.023 0.000 1.501 286 R HN 0.532 nan 8.270 nan 0.000 0.553 287 V N 2.679 122.629 119.914 0.059 0.000 2.572 287 V HA 0.052 4.172 4.120 0.001 0.000 0.291 287 V C 1.166 177.285 176.094 0.042 0.000 1.039 287 V CA -0.190 62.151 62.300 0.068 0.000 1.055 287 V CB 0.948 32.849 31.823 0.131 0.000 0.969 287 V HN 0.107 nan 8.190 nan 0.000 0.482 288 K N 4.149 124.562 120.400 0.022 0.000 2.440 288 K HA 0.006 4.326 4.320 0.001 0.000 0.270 288 K C 0.945 177.546 176.600 0.001 0.000 0.980 288 K CA -0.337 55.954 56.287 0.007 0.000 0.953 288 K CB 0.850 33.351 32.500 0.002 0.000 0.925 288 K HN 0.640 nan 8.250 nan 0.000 0.497 289 K N 1.223 121.622 120.400 -0.001 0.000 2.504 289 K HA -0.075 4.245 4.320 0.001 0.000 0.195 289 K C 1.645 178.236 176.600 -0.016 0.000 1.036 289 K CA 0.728 57.012 56.287 -0.005 0.000 0.984 289 K CB 0.165 32.665 32.500 -0.001 0.000 0.788 289 K HN 0.505 nan 8.250 nan 0.000 0.488 290 S N 1.642 117.330 115.700 -0.020 0.000 2.338 290 S HA -0.171 4.300 4.470 0.001 0.000 0.218 290 S C 0.997 175.570 174.600 -0.045 0.000 1.032 290 S CA 1.448 59.630 58.200 -0.029 0.000 0.999 290 S CB -0.391 62.791 63.200 -0.029 0.000 0.905 290 S HN 0.676 nan 8.310 nan 0.000 0.439 291 D N 1.218 121.586 120.400 -0.053 0.000 3.523 291 D HA -0.368 4.272 4.640 0.001 0.000 0.258 291 D C 1.763 178.001 176.300 -0.104 0.000 1.189 291 D CA 2.024 55.978 54.000 -0.076 0.000 0.935 291 D CB -0.874 39.859 40.800 -0.112 0.000 1.003 291 D HN 0.336 nan 8.370 nan 0.000 0.545 292 M N 1.354 120.918 119.600 -0.061 0.000 2.204 292 M HA -0.253 4.227 4.480 0.001 0.000 0.255 292 M C 2.232 178.501 176.300 -0.052 0.000 1.073 292 M CA 2.375 57.649 55.300 -0.043 0.000 1.084 292 M CB -0.230 32.364 32.600 -0.010 0.000 1.289 292 M HN 0.187 nan 8.290 nan 0.000 0.419 293 E N -1.265 118.909 120.200 -0.044 0.000 2.086 293 E HA -0.134 4.216 4.350 0.001 0.000 0.190 293 E C 1.904 178.476 176.600 -0.047 0.000 0.975 293 E CA 0.990 57.369 56.400 -0.035 0.000 0.813 293 E CB -0.097 29.589 29.700 -0.023 0.000 0.768 293 E HN 0.501 nan 8.360 nan 0.000 0.457 294 K N 0.715 121.077 120.400 -0.063 0.000 2.113 294 K HA -0.160 4.160 4.320 0.001 0.000 0.208 294 K C 1.997 178.535 176.600 -0.103 0.000 1.047 294 K CA 1.064 57.304 56.287 -0.077 0.000 0.928 294 K CB -0.178 32.274 32.500 -0.079 0.000 0.716 294 K HN 0.110 nan 8.250 nan 0.000 0.446 295 L N 0.363 121.496 121.223 -0.150 0.000 2.376 295 L HA -0.060 4.281 4.340 0.001 0.000 0.219 295 L C 2.438 179.238 176.870 -0.116 0.000 1.133 295 L CA 0.524 55.239 54.840 -0.208 0.000 0.816 295 L CB -0.344 41.466 42.059 -0.416 0.000 0.933 295 L HN 0.174 nan 8.230 nan 0.000 0.449 296 A N 0.340 123.120 122.820 -0.066 0.000 1.898 296 A HA -0.159 4.161 4.320 0.001 0.000 0.216 296 A C 2.283 179.865 177.584 -0.003 0.000 1.181 296 A CA 1.512 53.534 52.037 -0.026 0.000 0.620 296 A CB -0.136 18.854 19.000 -0.015 0.000 0.819 296 A HN 0.340 nan 8.150 nan 0.000 0.442 297 K N -0.639 119.758 120.400 -0.005 0.000 2.308 297 K HA 0.360 4.680 4.320 0.001 0.000 0.197 297 K C 2.093 178.719 176.600 0.042 0.000 1.049 297 K CA 0.497 56.806 56.287 0.037 0.000 0.991 297 K CB -0.107 32.414 32.500 0.035 0.000 0.836 297 K HN 0.367 nan 8.250 nan 0.000 0.500 298 A N 1.912 124.730 122.820 -0.003 0.000 1.953 298 A HA -0.306 4.014 4.320 0.001 0.000 0.212 298 A C 2.382 179.975 177.584 0.015 0.000 1.250 298 A CA 3.075 55.105 52.037 -0.011 0.000 0.726 298 A CB -1.708 17.264 19.000 -0.046 0.000 0.837 298 A HN 0.452 nan 8.150 nan 0.000 0.481 299 T N -3.720 110.835 114.554 0.002 0.000 2.720 299 T HA 0.234 4.585 4.350 0.001 0.000 0.268 299 T C 1.525 176.242 174.700 0.028 0.000 1.037 299 T CA 2.436 64.548 62.100 0.019 0.000 1.144 299 T CB -0.405 68.477 68.868 0.023 0.000 0.864 299 T HN 2.158 nan 8.240 nan 0.000 0.444 300 G N 0.583 109.396 108.800 0.021 0.000 2.485 300 G HA2 0.241 4.201 3.960 0.001 0.000 0.181 300 G HA3 0.241 4.201 3.960 0.001 0.000 0.181 300 G C 0.385 175.274 174.900 -0.019 0.000 0.999 300 G CA -0.015 45.093 45.100 0.012 0.000 0.721 300 G HN 1.269 nan 8.290 nan 0.000 0.486 301 A N 0.588 123.406 122.820 -0.004 0.000 2.608 301 A HA 0.270 4.590 4.320 0.001 0.000 0.247 301 A C 0.555 178.133 177.584 -0.010 0.000 0.972 301 A CA 1.267 53.304 52.037 -0.001 0.000 0.838 301 A CB -0.219 18.784 19.000 0.006 0.000 0.856 301 A HN 1.412 nan 8.150 nan 0.000 0.478 302 N N 1.702 120.397 118.700 -0.009 0.000 2.414 302 N HA 0.375 5.115 4.740 0.001 0.000 0.256 302 N C -0.328 175.183 175.510 0.002 0.000 1.029 302 N CA -0.321 52.724 53.050 -0.007 0.000 0.948 302 N CB 1.445 39.924 38.487 -0.012 0.000 1.102 302 N HN 0.776 nan 8.380 nan 0.000 0.496 303 V N 3.959 123.874 119.914 0.002 0.000 2.485 303 V HA 0.181 4.301 4.120 0.001 0.000 0.287 303 V C 0.512 176.611 176.094 0.008 0.000 1.022 303 V CA -0.688 61.616 62.300 0.006 0.000 1.067 303 V CB -0.910 30.915 31.823 0.002 0.000 0.967 303 V HN 0.680 nan 8.190 nan 0.000 0.479 304 I N 4.182 124.760 120.570 0.013 0.000 3.110 304 I HA 0.545 4.715 4.170 0.001 0.000 0.314 304 I C 1.380 177.505 176.117 0.012 0.000 1.020 304 I CA -0.117 61.190 61.300 0.012 0.000 1.169 304 I CB 1.257 39.264 38.000 0.012 0.000 1.437 304 I HN 0.768 nan 8.210 nan 0.000 0.595 305 T N 0.859 115.419 114.554 0.010 0.000 3.269 305 T HA -0.121 4.229 4.350 0.001 0.000 0.216 305 T C 1.005 175.713 174.700 0.013 0.000 1.111 305 T CA 0.954 63.060 62.100 0.010 0.000 2.053 305 T CB -0.745 68.128 68.868 0.008 0.000 1.224 305 T HN 0.858 nan 8.240 nan 0.000 0.352 306 N N 1.186 119.893 118.700 0.012 0.000 2.235 306 N HA -0.025 4.715 4.740 0.001 0.000 0.231 306 N C 0.844 176.363 175.510 0.015 0.000 1.330 306 N CA -0.315 52.743 53.050 0.013 0.000 0.898 306 N CB 0.105 38.599 38.487 0.010 0.000 1.151 306 N HN 0.449 nan 8.380 nan 0.000 0.472 307 I N 0.071 120.650 120.570 0.015 0.000 3.226 307 I HA 0.039 4.210 4.170 0.001 0.000 0.277 307 I C 1.759 177.881 176.117 0.008 0.000 1.243 307 I CA 0.966 62.275 61.300 0.014 0.000 1.459 307 I CB -0.855 37.153 38.000 0.014 0.000 1.093 307 I HN 0.789 nan 8.210 nan 0.000 0.453 308 K N -0.616 119.787 120.400 0.006 0.000 2.432 308 K HA -0.021 4.299 4.320 0.001 0.000 0.196 308 K C 0.594 177.194 176.600 0.001 0.000 1.038 308 K CA 1.187 57.475 56.287 0.001 0.000 0.986 308 K CB -0.172 32.328 32.500 -0.000 0.000 0.782 308 K HN 0.164 nan 8.250 nan 0.000 0.485 309 D N 1.013 121.416 120.400 0.004 0.000 2.354 309 D HA 0.066 4.707 4.640 0.001 0.000 0.209 309 D C 0.340 176.643 176.300 0.005 0.000 1.015 309 D CA -0.024 53.978 54.000 0.004 0.000 0.867 309 D CB 0.217 41.020 40.800 0.005 0.000 0.933 309 D HN 0.075 nan 8.370 nan 0.000 0.520 310 L N 1.295 122.522 121.223 0.008 0.000 2.601 310 L HA 0.032 4.373 4.340 0.001 0.000 0.277 310 L C -0.497 176.377 176.870 0.006 0.000 1.219 310 L CA 1.224 56.071 54.840 0.011 0.000 0.915 310 L CB 0.016 42.082 42.059 0.012 0.000 1.160 310 L HN -0.076 nan 8.230 nan 0.000 0.494 311 S N 2.508 118.213 115.700 0.009 0.000 2.596 311 S HA 0.266 4.736 4.470 0.001 0.000 0.305 311 S C 0.480 175.085 174.600 0.008 0.000 1.086 311 S CA -0.071 58.132 58.200 0.006 0.000 0.909 311 S CB 1.612 64.814 63.200 0.004 0.000 1.106 311 S HN 0.758 nan 8.310 nan 0.000 0.450 312 A N 2.200 125.024 122.820 0.007 0.000 2.121 312 A HA -0.117 4.203 4.320 0.001 0.000 0.218 312 A C 2.013 179.601 177.584 0.008 0.000 1.154 312 A CA 1.343 53.386 52.037 0.009 0.000 0.679 312 A CB -0.284 18.720 19.000 0.007 0.000 0.795 312 A HN 0.778 nan 8.150 nan 0.000 0.458 313 Q N 0.125 119.927 119.800 0.004 0.000 2.061 313 Q HA -0.096 4.244 4.340 0.001 0.000 0.195 313 Q C 0.343 176.341 176.000 -0.002 0.000 0.967 313 Q CA 1.074 56.877 55.803 -0.000 0.000 0.829 313 Q CB -0.972 27.765 28.738 -0.002 0.000 0.900 313 Q HN 0.594 nan 8.270 nan 0.000 0.450 314 D N 1.402 121.801 120.400 -0.001 0.000 2.429 314 D HA 0.018 4.659 4.640 0.001 0.000 0.237 314 D C 0.131 176.435 176.300 0.007 0.000 1.045 314 D CA 0.666 54.666 54.000 0.000 0.000 0.974 314 D CB -0.050 40.752 40.800 0.003 0.000 0.871 314 D HN 0.239 nan 8.370 nan 0.000 0.525 315 L N -0.715 120.513 121.223 0.009 0.000 2.409 315 L HA 0.469 4.810 4.340 0.001 0.000 0.262 315 L C 0.824 177.705 176.870 0.019 0.000 0.992 315 L CA -1.096 53.756 54.840 0.020 0.000 0.817 315 L CB 2.252 44.327 42.059 0.028 0.000 1.350 315 L HN -0.197 nan 8.230 nan 0.000 0.411 316 G N -0.483 108.337 108.800 0.034 0.000 2.557 316 G HA2 0.411 4.371 3.960 0.001 0.000 0.292 316 G HA3 0.411 4.371 3.960 0.001 0.000 0.292 316 G C -1.540 173.381 174.900 0.034 0.000 1.237 316 G CA -0.018 45.102 45.100 0.033 0.000 0.978 316 G HN 0.573 nan 8.290 nan 0.000 0.498 317 D N -0.884 119.537 120.400 0.035 0.000 2.620 317 D HA 0.609 5.250 4.640 0.001 0.000 0.252 317 D C -0.533 175.794 176.300 0.045 0.000 1.207 317 D CA 0.006 54.028 54.000 0.036 0.000 0.884 317 D CB 1.514 42.330 40.800 0.027 0.000 1.262 317 D HN 0.574 nan 8.370 nan 0.000 0.552 318 A N 1.906 124.756 122.820 0.051 0.000 2.459 318 A HA 0.618 4.939 4.320 0.001 0.000 0.296 318 A C 0.869 178.485 177.584 0.054 0.000 1.039 318 A CA -0.377 51.694 52.037 0.058 0.000 0.698 318 A CB 1.614 20.661 19.000 0.079 0.000 1.261 318 A HN 0.517 nan 8.150 nan 0.000 0.405 319 G N 0.187 109.018 108.800 0.051 0.000 2.572 319 G HA2 0.405 4.365 3.960 0.001 0.000 0.216 319 G HA3 0.405 4.365 3.960 0.001 0.000 0.216 319 G C -0.000 174.925 174.900 0.043 0.000 1.133 319 G CA 0.842 45.968 45.100 0.042 0.000 0.791 319 G HN 0.589 nan 8.290 nan 0.000 0.538 320 L N -0.689 120.567 121.223 0.055 0.000 2.612 320 L HA 0.526 4.866 4.340 0.001 0.000 0.256 320 L C -1.338 175.586 176.870 0.091 0.000 0.949 320 L CA -0.768 54.105 54.840 0.054 0.000 0.867 320 L CB 2.586 44.668 42.059 0.037 0.000 1.417 320 L HN -0.170 nan 8.230 nan 0.000 0.414 321 V N 2.107 122.078 119.914 0.094 0.000 2.595 321 V HA 0.453 4.574 4.120 0.001 0.000 0.269 321 V C -0.513 175.645 176.094 0.105 0.000 0.982 321 V CA -0.595 61.786 62.300 0.135 0.000 0.873 321 V CB 1.509 33.419 31.823 0.146 0.000 1.051 321 V HN 0.752 nan 8.190 nan 0.000 0.466 322 E N 2.449 122.720 120.200 0.117 0.000 2.221 322 E HA 0.427 4.778 4.350 0.001 0.000 0.268 322 E C -0.474 176.212 176.600 0.142 0.000 0.933 322 E CA -0.725 55.719 56.400 0.072 0.000 0.809 322 E CB 1.819 31.515 29.700 -0.005 0.000 1.190 322 E HN 0.666 nan 8.360 nan 0.000 0.406 323 E N 3.805 124.069 120.200 0.107 0.000 2.003 323 E HA 0.065 4.415 4.350 0.001 0.000 0.279 323 E C -0.828 175.833 176.600 0.101 0.000 1.132 323 E CA -0.088 56.387 56.400 0.125 0.000 0.888 323 E CB 0.390 30.138 29.700 0.079 0.000 1.056 323 E HN 0.327 nan 8.360 nan 0.000 0.399 324 R N 4.472 125.063 120.500 0.151 0.000 2.215 324 R HA 0.184 4.524 4.340 0.001 0.000 0.337 324 R C -0.236 176.144 176.300 0.133 0.000 1.010 324 R CA -0.481 55.672 56.100 0.089 0.000 0.871 324 R CB 0.991 31.276 30.300 -0.025 0.000 1.134 324 R HN 0.256 nan 8.270 nan 0.000 0.477 325 K N 3.135 123.580 120.400 0.075 0.000 2.412 325 K HA 0.113 4.433 4.320 0.001 0.000 0.284 325 K C 0.034 176.679 176.600 0.075 0.000 1.046 325 K CA 0.343 56.673 56.287 0.072 0.000 0.999 325 K CB 0.583 33.110 32.500 0.045 0.000 0.941 325 K HN 0.506 nan 8.250 nan 0.000 0.474 326 I N 3.011 123.636 120.570 0.092 0.000 2.537 326 I HA 0.055 4.225 4.170 0.001 0.000 0.276 326 I C -0.180 175.975 176.117 0.063 0.000 1.063 326 I CA 0.085 61.441 61.300 0.093 0.000 1.144 326 I CB 0.571 38.666 38.000 0.158 0.000 1.252 326 I HN 0.841 nan 8.210 nan 0.000 0.480 327 S N 4.457 120.183 115.700 0.045 0.000 3.593 327 S HA -0.136 4.335 4.470 0.001 0.000 0.301 327 S C 0.715 175.333 174.600 0.030 0.000 1.209 327 S CA 1.197 59.417 58.200 0.034 0.000 0.878 327 S CB -1.948 61.273 63.200 0.036 0.000 1.000 327 S HN 2.494 nan 8.310 nan 0.000 0.578 328 G N -0.471 108.348 108.800 0.031 0.000 2.255 328 G HA2 0.074 4.034 3.960 0.001 0.000 0.239 328 G HA3 0.074 4.034 3.960 0.001 0.000 0.239 328 G C -0.520 174.396 174.900 0.027 0.000 1.083 328 G CA 0.154 45.270 45.100 0.026 0.000 0.826 328 G HN 1.110 nan 8.290 nan 0.000 0.493 329 D N -0.854 119.568 120.400 0.036 0.000 2.836 329 D HA 0.498 5.138 4.640 0.001 0.000 0.215 329 D C -0.315 176.017 176.300 0.053 0.000 1.255 329 D CA -0.452 53.570 54.000 0.036 0.000 0.822 329 D CB 1.166 41.983 40.800 0.029 0.000 1.656 329 D HN 0.123 nan 8.370 nan 0.000 0.511 330 S N 2.020 117.751 115.700 0.051 0.000 2.523 330 S HA 0.647 5.118 4.470 0.001 0.000 0.275 330 S C -0.317 174.330 174.600 0.077 0.000 1.281 330 S CA -0.381 57.861 58.200 0.069 0.000 1.050 330 S CB 0.409 63.642 63.200 0.056 0.000 0.937 330 S HN 0.326 nan 8.310 nan 0.000 0.492 331 M N 2.400 122.070 119.600 0.117 0.000 2.618 331 M HA 0.530 5.010 4.480 0.001 0.000 0.281 331 M C -1.200 175.201 176.300 0.168 0.000 1.267 331 M CA -0.535 54.820 55.300 0.092 0.000 0.845 331 M CB 1.788 34.390 32.600 0.004 0.000 1.732 331 M HN 0.406 nan 8.290 nan 0.000 0.461 332 I N 1.772 122.416 120.570 0.123 0.000 2.315 332 I HA 0.345 4.515 4.170 0.001 0.000 0.291 332 I C -1.079 175.137 176.117 0.165 0.000 1.006 332 I CA -0.289 61.146 61.300 0.226 0.000 1.265 332 I CB 0.516 38.716 38.000 0.333 0.000 1.387 332 I HN 0.399 nan 8.210 nan 0.000 0.475 333 F N 5.530 125.531 119.950 0.085 0.000 2.377 333 F HA 0.486 5.013 4.527 0.001 0.000 0.328 333 F C 0.318 176.160 175.800 0.068 0.000 1.094 333 F CA -0.585 57.447 58.000 0.053 0.000 1.093 333 F CB 1.578 40.601 39.000 0.037 0.000 1.214 333 F HN 0.020 nan 8.300 nan 0.000 0.518 334 V N 1.901 121.919 119.914 0.173 0.000 2.629 334 V HA 0.243 4.363 4.120 0.001 0.000 0.263 334 V C -0.342 175.806 176.094 0.090 0.000 0.959 334 V CA -0.894 61.477 62.300 0.118 0.000 0.869 334 V CB 0.162 32.014 31.823 0.049 0.000 1.060 334 V HN 0.824 nan 8.190 nan 0.000 0.474 335 E N 2.019 122.289 120.200 0.117 0.000 3.769 335 E HA 0.419 4.769 4.350 0.001 0.000 0.318 335 E C -0.007 176.632 176.600 0.064 0.000 0.894 335 E CA -0.869 55.586 56.400 0.092 0.000 1.973 335 E CB 0.375 30.142 29.700 0.112 0.000 1.858 335 E HN 0.370 nan 8.360 nan 0.000 0.628 336 E N -0.110 120.121 120.200 0.052 0.000 1.561 336 E HA -0.232 4.118 4.350 0.001 0.000 0.174 336 E C -0.559 176.064 176.600 0.037 0.000 1.114 336 E CA -0.086 56.338 56.400 0.040 0.000 0.551 336 E CB -1.519 28.200 29.700 0.031 0.000 1.034 336 E HN 0.269 nan 8.360 nan 0.000 0.269 337 C N 1.225 120.547 119.300 0.036 0.000 2.653 337 C HA 0.018 4.478 4.460 0.001 0.000 0.421 337 C C 2.084 177.101 174.990 0.045 0.000 1.334 337 C CA -0.676 58.366 59.018 0.039 0.000 1.885 337 C CB 0.933 28.692 27.740 0.032 0.000 2.645 337 C HN 0.505 nan 8.230 nan 0.000 0.601 338 K N 2.177 122.613 120.400 0.060 0.000 1.973 338 K HA -0.145 4.175 4.320 0.001 0.000 0.212 338 K C 1.045 177.707 176.600 0.104 0.000 1.047 338 K CA 1.818 58.148 56.287 0.073 0.000 0.937 338 K CB -0.215 32.325 32.500 0.066 0.000 0.721 338 K HN 0.886 nan 8.250 nan 0.000 0.440 339 H N 1.237 120.309 119.070 0.003 0.000 2.535 339 H HA 0.290 4.846 4.556 0.000 0.000 0.232 339 H C -2.514 172.812 175.328 -0.003 0.000 1.405 339 H CA -1.688 54.360 56.048 0.000 0.000 1.224 339 H CB 0.625 30.387 29.762 -0.000 0.000 1.763 339 H HN 0.082 nan 8.280 nan 0.000 0.529 340 P HA 0.040 nan 4.420 nan 0.000 0.270 340 P C 0.505 177.719 177.300 -0.144 0.000 1.242 340 P CA -0.330 62.744 63.100 -0.045 0.000 0.768 340 P CB 1.123 32.805 31.700 -0.030 0.000 0.820 341 K N 2.694 123.029 120.400 -0.108 0.000 2.360 341 K HA 0.198 4.518 4.320 0.001 0.000 0.201 341 K C 0.557 177.117 176.600 -0.067 0.000 1.046 341 K CA 0.446 56.670 56.287 -0.106 0.000 0.945 341 K CB -0.826 31.576 32.500 -0.162 0.000 0.750 341 K HN 0.497 nan 8.250 nan 0.000 0.464 342 A N -0.445 122.345 122.820 -0.050 0.000 2.560 342 A HA 0.578 4.899 4.320 0.001 0.000 0.300 342 A C -1.686 175.878 177.584 -0.033 0.000 1.062 342 A CA -0.355 51.662 52.037 -0.033 0.000 0.767 342 A CB 1.159 20.144 19.000 -0.024 0.000 1.288 342 A HN 0.188 nan 8.150 nan 0.000 0.396 343 V N 1.575 121.470 119.914 -0.033 0.000 3.012 343 V HA 0.862 4.982 4.120 0.001 0.000 0.307 343 V C -0.643 175.431 176.094 -0.034 0.000 1.166 343 V CA -0.087 62.195 62.300 -0.030 0.000 0.974 343 V CB 2.488 34.296 31.823 -0.025 0.000 1.040 343 V HN 1.160 nan 8.190 nan 0.000 0.428 344 T N 6.786 121.317 114.554 -0.037 0.000 2.859 344 T HA 0.589 4.939 4.350 0.001 0.000 0.281 344 T C -0.443 174.240 174.700 -0.029 0.000 1.005 344 T CA -0.285 61.787 62.100 -0.046 0.000 1.025 344 T CB 1.254 70.076 68.868 -0.077 0.000 0.977 344 T HN 0.661 nan 8.240 nan 0.000 0.458 345 M N 3.165 122.748 119.600 -0.028 0.000 2.085 345 M HA 0.402 4.882 4.480 0.001 0.000 0.309 345 M C -0.676 175.615 176.300 -0.014 0.000 0.947 345 M CA -0.661 54.632 55.300 -0.011 0.000 0.918 345 M CB 1.364 33.959 32.600 -0.009 0.000 1.504 345 M HN 0.433 nan 8.290 nan 0.000 0.420 346 L N 5.803 127.026 121.223 -0.001 0.000 2.534 346 L HA 0.174 4.514 4.340 0.001 0.000 0.271 346 L C -0.966 175.919 176.870 0.025 0.000 1.178 346 L CA 0.323 55.173 54.840 0.017 0.000 0.907 346 L CB 0.165 42.274 42.059 0.083 0.000 1.164 346 L HN 0.604 nan 8.230 nan 0.000 0.482 347 I N 4.657 125.238 120.570 0.018 0.000 2.420 347 I HA 0.404 4.574 4.170 0.001 0.000 0.282 347 I C -0.287 175.845 176.117 0.026 0.000 1.019 347 I CA -0.689 60.623 61.300 0.019 0.000 1.130 347 I CB 0.988 38.995 38.000 0.012 0.000 1.262 347 I HN 0.432 nan 8.210 nan 0.000 0.454 348 R N 4.436 124.954 120.500 0.030 0.000 2.500 348 R HA 0.871 5.211 4.340 0.001 0.000 0.277 348 R C 0.020 176.336 176.300 0.026 0.000 1.026 348 R CA -0.999 55.120 56.100 0.032 0.000 1.058 348 R CB 1.443 31.766 30.300 0.037 0.000 1.078 348 R HN 0.897 nan 8.270 nan 0.000 0.509 349 G N 0.586 109.402 108.800 0.026 0.000 1.885 349 G HA2 0.190 4.151 3.960 0.001 0.000 0.309 349 G HA3 0.190 4.151 3.960 0.001 0.000 0.309 349 G C 0.390 175.307 174.900 0.028 0.000 1.751 349 G CA -0.058 45.058 45.100 0.027 0.000 0.949 349 G HN 0.804 nan 8.290 nan 0.000 0.564 350 T N 0.094 114.664 114.554 0.027 0.000 7.103 350 T HA -0.338 4.012 4.350 0.001 0.000 0.229 350 T C 1.173 175.894 174.700 0.034 0.000 1.666 350 T CA 2.660 64.778 62.100 0.030 0.000 1.411 350 T CB -1.469 67.415 68.868 0.026 0.000 1.637 350 T HN 1.778 nan 8.240 nan 0.000 0.518 351 T N -0.243 114.339 114.554 0.047 0.000 2.910 351 T HA 0.551 4.901 4.350 0.001 0.000 0.287 351 T C 0.877 175.609 174.700 0.053 0.000 1.050 351 T CA 0.204 62.335 62.100 0.053 0.000 1.011 351 T CB 1.883 70.789 68.868 0.062 0.000 1.195 351 T HN 0.587 nan 8.240 nan 0.000 0.540 352 E N -0.142 120.078 120.200 0.034 0.000 2.253 352 E HA -0.204 4.146 4.350 0.001 0.000 0.202 352 E C 1.480 178.080 176.600 0.000 0.000 1.014 352 E CA 1.763 58.162 56.400 -0.001 0.000 0.823 352 E CB -0.141 29.543 29.700 -0.027 0.000 0.736 352 E HN 0.589 nan 8.360 nan 0.000 0.478 353 H N -1.487 117.586 119.070 0.005 0.000 2.395 353 H HA -0.004 4.552 4.556 0.000 0.000 0.299 353 H C 1.689 177.020 175.328 0.005 0.000 1.070 353 H CA 1.200 57.250 56.048 0.004 0.000 1.356 353 H CB 0.340 30.105 29.762 0.004 0.000 1.401 353 H HN -0.003 nan 8.280 nan 0.000 0.524 354 V N 0.698 120.696 119.914 0.141 0.000 3.041 354 V HA -0.142 3.978 4.120 0.001 0.000 0.260 354 V C 2.021 178.146 176.094 0.053 0.000 1.105 354 V CA 0.862 63.210 62.300 0.081 0.000 1.125 354 V CB -0.191 31.664 31.823 0.053 0.000 0.730 354 V HN 0.423 nan 8.190 nan 0.000 0.479 355 I N 0.209 120.803 120.570 0.039 0.000 2.141 355 I HA -0.168 4.002 4.170 0.001 0.000 0.236 355 I C 2.499 178.621 176.117 0.007 0.000 1.071 355 I CA 1.354 62.665 61.300 0.019 0.000 1.345 355 I CB -0.766 37.239 38.000 0.008 0.000 1.066 355 I HN 0.354 nan 8.210 nan 0.000 0.406 356 E N 0.955 121.150 120.200 -0.008 0.000 2.196 356 E HA -0.377 3.973 4.350 0.001 0.000 0.222 356 E C 1.880 178.483 176.600 0.004 0.000 1.072 356 E CA 2.414 58.803 56.400 -0.020 0.000 0.902 356 E CB -0.422 29.240 29.700 -0.062 0.000 0.780 356 E HN 0.499 nan 8.360 nan 0.000 0.467 357 E N 1.021 121.241 120.200 0.032 0.000 2.112 357 E HA -0.092 4.258 4.350 0.001 0.000 0.190 357 E C 1.913 178.529 176.600 0.026 0.000 0.979 357 E CA 0.881 57.305 56.400 0.041 0.000 0.814 357 E CB 0.031 29.771 29.700 0.066 0.000 0.762 357 E HN 0.125 nan 8.360 nan 0.000 0.460 358 V N 0.860 120.787 119.914 0.023 0.000 3.380 358 V HA 0.041 4.161 4.120 0.001 0.000 0.268 358 V C 2.014 178.113 176.094 0.008 0.000 1.168 358 V CA 1.148 63.458 62.300 0.017 0.000 1.156 358 V CB -0.439 31.394 31.823 0.017 0.000 0.785 358 V HN 0.441 nan 8.190 nan 0.000 0.487 359 A N -0.035 122.788 122.820 0.004 0.000 2.021 359 A HA -0.020 4.301 4.320 0.001 0.000 0.216 359 A C 2.372 179.954 177.584 -0.002 0.000 1.163 359 A CA 0.902 52.937 52.037 -0.004 0.000 0.676 359 A CB -0.184 18.809 19.000 -0.012 0.000 0.818 359 A HN 0.455 nan 8.150 nan 0.000 0.453 360 R N -1.079 119.423 120.500 0.004 0.000 2.206 360 R HA 0.220 4.560 4.340 0.001 0.000 0.198 360 R C 1.971 178.276 176.300 0.008 0.000 0.986 360 R CA 0.729 56.832 56.100 0.005 0.000 1.029 360 R CB -0.066 30.239 30.300 0.010 0.000 0.966 360 R HN 0.403 nan 8.270 nan 0.000 0.487 361 A N 0.395 123.222 122.820 0.011 0.000 2.239 361 A HA -0.026 4.294 4.320 0.001 0.000 0.209 361 A C 1.767 179.356 177.584 0.008 0.000 1.171 361 A CA 0.799 52.843 52.037 0.012 0.000 0.768 361 A CB -0.069 18.940 19.000 0.015 0.000 0.790 361 A HN 0.223 nan 8.150 nan 0.000 0.478 362 V N -1.522 118.395 119.914 0.004 0.000 2.908 362 V HA 0.012 4.132 4.120 0.001 0.000 0.240 362 V C 1.689 177.782 176.094 -0.002 0.000 1.117 362 V CA 1.652 63.953 62.300 0.001 0.000 1.133 362 V CB -0.013 31.809 31.823 -0.002 0.000 0.857 362 V HN 0.374 nan 8.190 nan 0.000 0.478 363 D N 0.633 121.032 120.400 -0.003 0.000 2.144 363 D HA -0.129 4.512 4.640 0.001 0.000 0.199 363 D C 1.673 177.972 176.300 -0.002 0.000 0.984 363 D CA 1.750 55.748 54.000 -0.005 0.000 0.834 363 D CB -0.008 40.788 40.800 -0.006 0.000 0.955 363 D HN 0.566 nan 8.370 nan 0.000 0.465 364 D N -0.625 119.775 120.400 0.001 0.000 2.355 364 D HA 0.103 4.743 4.640 0.001 0.000 0.206 364 D C 1.912 178.214 176.300 0.003 0.000 1.010 364 D CA 0.422 54.424 54.000 0.003 0.000 0.875 364 D CB 0.079 40.882 40.800 0.004 0.000 0.966 364 D HN 0.082 nan 8.370 nan 0.000 0.512 365 A N 1.080 123.902 122.820 0.004 0.000 1.892 365 A HA -0.167 4.154 4.320 0.001 0.000 0.218 365 A C 2.426 180.010 177.584 0.001 0.000 1.188 365 A CA 1.333 53.372 52.037 0.003 0.000 0.631 365 A CB -0.803 18.199 19.000 0.004 0.000 0.822 365 A HN 0.140 nan 8.150 nan 0.000 0.447 366 V N -0.233 119.680 119.914 -0.002 0.000 2.626 366 V HA -0.108 4.012 4.120 0.001 0.000 0.252 366 V C 2.641 178.733 176.094 -0.003 0.000 1.067 366 V CA 1.539 63.836 62.300 -0.004 0.000 1.081 366 V CB -1.231 30.588 31.823 -0.007 0.000 0.686 366 V HN 0.643 nan 8.190 nan 0.000 0.468 367 G N 0.876 109.675 108.800 -0.002 0.000 2.575 367 G HA2 -0.237 3.724 3.960 0.001 0.000 0.215 367 G HA3 -0.237 3.724 3.960 0.001 0.000 0.215 367 G C 1.801 176.701 174.900 0.000 0.000 1.262 367 G CA 1.589 46.688 45.100 -0.001 0.000 0.807 367 G HN 0.576 nan 8.290 nan 0.000 0.567 368 V N 0.180 120.095 119.914 0.002 0.000 2.402 368 V HA -0.288 3.832 4.120 0.001 0.000 0.264 368 V C 2.504 178.600 176.094 0.003 0.000 1.112 368 V CA 2.765 65.067 62.300 0.003 0.000 1.110 368 V CB -1.101 30.725 31.823 0.005 0.000 0.689 368 V HN 0.211 nan 8.190 nan 0.000 0.459 369 V N 0.945 120.859 119.914 0.001 0.000 2.951 369 V HA 0.184 4.305 4.120 0.001 0.000 0.255 369 V C 2.716 178.809 176.094 -0.001 0.000 1.088 369 V CA 1.367 63.667 62.300 0.000 0.000 1.109 369 V CB -0.959 30.864 31.823 -0.000 0.000 0.724 369 V HN 0.679 nan 8.190 nan 0.000 0.471 370 G N -1.540 107.259 108.800 -0.002 0.000 2.848 370 G HA2 -0.102 3.858 3.960 0.001 0.000 0.208 370 G HA3 -0.102 3.858 3.960 0.001 0.000 0.208 370 G C 1.279 176.178 174.900 -0.001 0.000 1.152 370 G CA 0.869 45.968 45.100 -0.003 0.000 0.789 370 G HN 0.538 nan 8.290 nan 0.000 0.531 371 C N -0.119 119.181 119.300 -0.000 0.000 2.524 371 C HA 0.075 4.535 4.460 0.001 0.000 0.284 371 C C 2.927 177.918 174.990 0.001 0.000 1.346 371 C CA 1.192 60.210 59.018 0.001 0.000 1.739 371 C CB -0.363 27.378 27.740 0.002 0.000 2.119 371 C HN 0.540 nan 8.230 nan 0.000 0.501 372 T N -0.525 114.030 114.554 0.001 0.000 3.496 372 T HA 0.143 4.493 4.350 0.001 0.000 0.253 372 T C 1.163 175.862 174.700 -0.001 0.000 1.134 372 T CA 0.730 62.831 62.100 0.001 0.000 0.993 372 T CB -0.589 68.280 68.868 0.002 0.000 1.018 372 T HN 0.438 nan 8.240 nan 0.000 0.571 373 I N 0.331 120.900 120.570 -0.001 0.000 2.900 373 I HA 0.145 4.315 4.170 0.001 0.000 0.251 373 I C 2.416 178.532 176.117 -0.002 0.000 1.102 373 I CA 0.551 61.849 61.300 -0.002 0.000 1.457 373 I CB -0.402 37.596 38.000 -0.003 0.000 1.285 373 I HN 0.325 nan 8.210 nan 0.000 0.459 374 E N 0.583 120.783 120.200 -0.001 0.000 2.170 374 E HA -0.039 4.311 4.350 0.001 0.000 0.191 374 E C -0.324 176.275 176.600 -0.001 0.000 0.981 374 E CA 0.592 56.991 56.400 -0.001 0.000 0.830 374 E CB 0.364 30.063 29.700 -0.001 0.000 0.775 374 E HN 0.333 nan 8.360 nan 0.000 0.470 375 D N 0.194 120.593 120.400 -0.001 0.000 2.440 375 D HA 0.163 4.803 4.640 0.001 0.000 0.252 375 D C -0.373 175.927 176.300 -0.000 0.000 1.180 375 D CA -0.159 53.841 54.000 -0.001 0.000 0.894 375 D CB 1.431 42.231 40.800 -0.001 0.000 1.111 375 D HN 0.061 nan 8.370 nan 0.000 0.544 376 G N 2.122 110.922 108.800 -0.001 0.000 3.741 376 G HA2 0.105 4.066 3.960 0.001 0.000 0.263 376 G HA3 0.105 4.066 3.960 0.001 0.000 0.263 376 G C 0.635 175.534 174.900 -0.000 0.000 1.175 376 G CA -0.326 44.774 45.100 -0.000 0.000 1.642 376 G HN 0.108 nan 8.290 nan 0.000 0.644 377 R N 0.240 120.740 120.500 -0.000 0.000 2.532 377 R HA 0.718 5.058 4.340 0.001 0.000 0.272 377 R C -0.042 176.260 176.300 0.003 0.000 1.032 377 R CA -0.578 55.522 56.100 0.001 0.000 1.089 377 R CB 1.012 31.311 30.300 -0.001 0.000 1.098 377 R HN 0.371 nan 8.270 nan 0.000 0.526 378 I N 0.278 120.852 120.570 0.005 0.000 2.611 378 I HA 0.373 4.543 4.170 0.001 0.000 0.287 378 I C -1.299 174.826 176.117 0.014 0.000 1.184 378 I CA -1.010 60.296 61.300 0.009 0.000 1.054 378 I CB 1.841 39.847 38.000 0.010 0.000 1.257 378 I HN 0.420 nan 8.210 nan 0.000 0.435 379 V N 2.417 122.341 119.914 0.017 0.000 2.581 379 V HA 0.727 4.848 4.120 0.001 0.000 0.303 379 V C 0.610 176.724 176.094 0.034 0.000 1.041 379 V CA 0.162 62.478 62.300 0.026 0.000 0.907 379 V CB 1.267 33.106 31.823 0.026 0.000 0.994 379 V HN 1.182 nan 8.190 nan 0.000 0.442 380 S N 1.424 117.154 115.700 0.050 0.000 3.748 380 S HA -0.142 4.328 4.470 0.001 0.000 0.329 380 S C 1.022 175.649 174.600 0.045 0.000 1.104 380 S CA 0.449 58.690 58.200 0.069 0.000 0.954 380 S CB -2.258 61.023 63.200 0.135 0.000 0.910 380 S HN 2.702 nan 8.310 nan 0.000 0.494 381 G N 1.286 110.108 108.800 0.036 0.000 2.816 381 G HA2 0.190 4.151 3.960 0.001 0.000 0.341 381 G HA3 0.190 4.151 3.960 0.001 0.000 0.341 381 G C 0.713 175.615 174.900 0.003 0.000 0.171 381 G CA 0.089 45.202 45.100 0.021 0.000 1.218 381 G HN 1.695 nan 8.290 nan 0.000 0.433 382 G N 1.322 110.120 108.800 -0.003 0.000 2.576 382 G HA2 0.529 4.489 3.960 0.001 0.000 0.291 382 G HA3 0.529 4.489 3.960 0.001 0.000 0.291 382 G C 1.275 176.164 174.900 -0.019 0.000 0.782 382 G CA 0.557 45.652 45.100 -0.008 0.000 1.886 382 G HN 2.097 nan 8.290 nan 0.000 0.493 383 G N 1.331 110.125 108.800 -0.009 0.000 2.183 383 G HA2 -0.081 3.880 3.960 0.001 0.000 0.168 383 G HA3 -0.081 3.880 3.960 0.001 0.000 0.168 383 G C 1.405 176.275 174.900 -0.049 0.000 1.008 383 G CA 0.726 45.815 45.100 -0.019 0.000 0.677 383 G HN 2.004 nan 8.290 nan 0.000 0.498 384 S N -0.127 115.529 115.700 -0.074 0.000 3.209 384 S HA -0.422 4.048 4.470 0.001 0.000 0.538 384 S C 1.721 176.424 174.600 0.172 0.000 0.915 384 S CA 2.951 61.162 58.200 0.018 0.000 3.391 384 S CB -1.483 61.690 63.200 -0.045 0.000 2.357 384 S HN 1.171 nan 8.310 nan 0.000 0.541 385 T N 2.852 117.498 114.554 0.154 0.000 3.077 385 T HA -0.011 4.339 4.350 0.001 0.000 0.269 385 T C 1.643 176.396 174.700 0.089 0.000 1.146 385 T CA 1.332 63.507 62.100 0.125 0.000 1.091 385 T CB -0.493 68.419 68.868 0.073 0.000 0.892 385 T HN 0.565 nan 8.240 nan 0.000 0.533 386 E N 1.304 121.549 120.200 0.076 0.000 2.021 386 E HA -0.059 4.291 4.350 0.001 0.000 0.189 386 E C 2.718 179.355 176.600 0.062 0.000 0.980 386 E CA 1.067 57.499 56.400 0.053 0.000 0.803 386 E CB -1.226 28.490 29.700 0.028 0.000 0.766 386 E HN 0.553 nan 8.360 nan 0.000 0.449 387 V N 0.482 120.436 119.914 0.067 0.000 2.568 387 V HA -0.241 3.879 4.120 0.001 0.000 0.253 387 V C 2.304 178.466 176.094 0.115 0.000 1.072 387 V CA 2.311 64.655 62.300 0.074 0.000 1.084 387 V CB -0.671 31.177 31.823 0.042 0.000 0.676 387 V HN 0.088 nan 8.190 nan 0.000 0.469 388 E N 0.817 121.118 120.200 0.168 0.000 2.046 388 E HA -0.082 4.268 4.350 0.001 0.000 0.190 388 E C 2.032 178.660 176.600 0.046 0.000 0.982 388 E CA 1.534 57.999 56.400 0.108 0.000 0.800 388 E CB -0.471 29.260 29.700 0.051 0.000 0.756 388 E HN 0.633 nan 8.360 nan 0.000 0.449 389 L N 0.383 121.633 121.223 0.045 0.000 2.079 389 L HA -0.222 4.118 4.340 0.001 0.000 0.210 389 L C 2.581 179.470 176.870 0.033 0.000 1.081 389 L CA 1.299 56.154 54.840 0.025 0.000 0.752 389 L CB -0.694 41.387 42.059 0.037 0.000 0.896 389 L HN 0.243 nan 8.230 nan 0.000 0.433 390 S N 1.232 116.960 115.700 0.048 0.000 2.460 390 S HA -0.331 4.140 4.470 0.001 0.000 0.241 390 S C 1.909 176.535 174.600 0.042 0.000 1.051 390 S CA 2.524 60.752 58.200 0.047 0.000 1.223 390 S CB -0.349 62.878 63.200 0.045 0.000 1.160 390 S HN 0.521 nan 8.310 nan 0.000 0.424 391 M N -0.679 118.947 119.600 0.043 0.000 2.659 391 M HA 0.190 4.670 4.480 0.001 0.000 0.243 391 M C 1.550 177.871 176.300 0.035 0.000 1.111 391 M CA 1.048 56.371 55.300 0.038 0.000 1.070 391 M CB -0.204 32.420 32.600 0.039 0.000 1.525 391 M HN 0.184 nan 8.290 nan 0.000 0.517 392 K N 1.229 121.648 120.400 0.032 0.000 2.141 392 K HA 0.215 4.535 4.320 0.001 0.000 0.202 392 K C 1.771 178.410 176.600 0.064 0.000 1.045 392 K CA 0.809 57.115 56.287 0.032 0.000 0.971 392 K CB 0.131 32.634 32.500 0.005 0.000 0.795 392 K HN 0.353 nan 8.250 nan 0.000 0.459 393 L N 0.719 121.971 121.223 0.049 0.000 2.492 393 L HA 0.077 4.417 4.340 0.001 0.000 0.223 393 L C 2.455 179.402 176.870 0.128 0.000 1.132 393 L CA 0.274 55.159 54.840 0.074 0.000 0.850 393 L CB -0.162 41.886 42.059 -0.017 0.000 0.966 393 L HN 0.140 nan 8.230 nan 0.000 0.454 394 R N 0.858 121.407 120.500 0.082 0.000 2.075 394 R HA -0.137 4.203 4.340 0.001 0.000 0.232 394 R C 1.873 178.204 176.300 0.051 0.000 1.126 394 R CA 1.365 57.499 56.100 0.058 0.000 0.963 394 R CB 0.060 30.384 30.300 0.040 0.000 0.858 394 R HN 0.337 nan 8.270 nan 0.000 0.435 395 E N -0.560 119.677 120.200 0.062 0.000 2.371 395 E HA -0.177 4.173 4.350 0.001 0.000 0.194 395 E C 1.426 178.056 176.600 0.050 0.000 1.012 395 E CA 0.484 56.910 56.400 0.044 0.000 0.860 395 E CB -0.050 29.672 29.700 0.036 0.000 0.811 395 E HN 0.439 nan 8.360 nan 0.000 0.502 396 Y N 1.700 121.986 120.300 -0.024 0.000 2.293 396 Y HA -0.109 4.441 4.550 0.000 0.000 0.291 396 Y C 2.218 178.098 175.900 -0.033 0.000 1.137 396 Y CA 1.137 59.218 58.100 -0.032 0.000 1.202 396 Y CB -0.147 38.286 38.460 -0.045 0.000 0.990 396 Y HN -0.022 nan 8.280 nan 0.000 0.537 397 A N 0.126 122.897 122.820 -0.082 0.000 1.968 397 A HA -0.098 4.222 4.320 0.001 0.000 0.217 397 A C 1.909 179.401 177.584 -0.153 0.000 1.169 397 A CA 1.332 53.293 52.037 -0.127 0.000 0.638 397 A CB -0.531 18.462 19.000 -0.013 0.000 0.812 397 A HN 0.570 nan 8.150 nan 0.000 0.446 398 E N -0.402 119.735 120.200 -0.105 0.000 2.516 398 E HA -0.010 4.340 4.350 0.001 0.000 0.199 398 E C 1.543 178.073 176.600 -0.117 0.000 1.069 398 E CA 0.310 56.658 56.400 -0.086 0.000 0.876 398 E CB -0.082 29.591 29.700 -0.046 0.000 0.843 398 E HN 0.633 nan 8.360 nan 0.000 0.530 399 G N 1.060 109.735 108.800 -0.209 0.000 2.724 399 G HA2 -0.028 3.932 3.960 0.001 0.000 0.205 399 G HA3 -0.028 3.932 3.960 0.001 0.000 0.205 399 G C 1.570 176.310 174.900 -0.267 0.000 1.112 399 G CA 0.124 45.080 45.100 -0.241 0.000 0.793 399 G HN 0.257 nan 8.290 nan 0.000 0.526 400 I N -0.414 119.955 120.570 -0.335 0.000 2.060 400 I HA 0.142 4.313 4.170 0.001 0.000 0.233 400 I C 1.069 177.114 176.117 -0.120 0.000 1.054 400 I CA 0.746 61.909 61.300 -0.228 0.000 1.318 400 I CB -1.011 36.839 38.000 -0.249 0.000 1.054 400 I HN 0.021 nan 8.210 nan 0.000 0.395 401 S N 0.222 115.871 115.700 -0.085 0.000 3.446 401 S HA 0.228 4.698 4.470 0.001 0.000 0.855 401 S C 0.054 174.639 174.600 -0.025 0.000 1.192 401 S CA 0.725 58.897 58.200 -0.048 0.000 0.926 401 S CB -1.371 61.806 63.200 -0.038 0.000 0.618 401 S HN 1.827 nan 8.310 nan 0.000 0.281 402 G N 2.302 111.096 108.800 -0.010 0.000 2.418 402 G HA2 -0.162 3.798 3.960 0.001 0.000 0.206 402 G HA3 -0.162 3.798 3.960 0.001 0.000 0.206 402 G C 0.236 175.147 174.900 0.018 0.000 1.202 402 G CA 0.446 45.549 45.100 0.005 0.000 1.061 402 G HN 1.002 nan 8.290 nan 0.000 0.563 403 R N 0.792 121.311 120.500 0.032 0.000 2.139 403 R HA -0.043 4.297 4.340 0.001 0.000 0.243 403 R C 1.915 178.259 176.300 0.072 0.000 1.145 403 R CA 2.066 58.197 56.100 0.052 0.000 0.976 403 R CB -0.293 30.043 30.300 0.059 0.000 0.866 403 R HN 0.477 nan 8.270 nan 0.000 0.449 404 E N 0.907 121.142 120.200 0.059 0.000 2.418 404 E HA -0.140 4.210 4.350 0.001 0.000 0.197 404 E C 1.713 178.331 176.600 0.030 0.000 1.026 404 E CA 0.547 56.986 56.400 0.064 0.000 0.862 404 E CB -0.084 29.647 29.700 0.051 0.000 0.799 404 E HN 0.427 nan 8.360 nan 0.000 0.518 405 Q N 0.235 120.043 119.800 0.014 0.000 1.985 405 Q HA -0.174 4.166 4.340 0.001 0.000 0.207 405 Q C 1.263 177.274 176.000 0.019 0.000 0.996 405 Q CA 1.271 57.072 55.803 -0.004 0.000 0.851 405 Q CB 0.042 28.781 28.738 0.001 0.000 0.921 405 Q HN 0.246 nan 8.270 nan 0.000 0.418 406 L N 0.038 121.293 121.223 0.054 0.000 2.554 406 L HA 0.085 4.426 4.340 0.001 0.000 0.226 406 L C 2.047 179.003 176.870 0.143 0.000 1.137 406 L CA 1.023 55.912 54.840 0.082 0.000 0.863 406 L CB -1.715 40.392 42.059 0.080 0.000 0.985 406 L HN 0.296 nan 8.230 nan 0.000 0.451 407 A N 0.923 123.833 122.820 0.150 0.000 1.835 407 A HA -0.099 4.221 4.320 0.001 0.000 0.213 407 A C 2.278 179.614 177.584 -0.414 0.000 1.210 407 A CA 1.734 53.872 52.037 0.168 0.000 0.605 407 A CB -0.785 18.453 19.000 0.398 0.000 0.860 407 A HN 0.217 nan 8.150 nan 0.000 0.447 408 V N -1.227 118.559 119.914 -0.213 0.000 2.809 408 V HA -0.120 4.000 4.120 0.001 0.000 0.256 408 V C 2.082 178.127 176.094 -0.083 0.000 1.080 408 V CA 1.886 64.070 62.300 -0.193 0.000 1.102 408 V CB -0.929 30.896 31.823 0.003 0.000 0.705 408 V HN 0.523 nan 8.190 nan 0.000 0.475 409 R N 1.369 121.849 120.500 -0.032 0.000 2.075 409 R HA 0.216 4.556 4.340 0.001 0.000 0.226 409 R C 2.604 178.921 176.300 0.027 0.000 1.114 409 R CA 1.351 57.458 56.100 0.011 0.000 0.972 409 R CB -0.796 29.518 30.300 0.024 0.000 0.869 409 R HN 0.558 nan 8.270 nan 0.000 0.437 410 A N 0.959 123.800 122.820 0.034 0.000 1.978 410 A HA -0.181 4.139 4.320 0.001 0.000 0.220 410 A C 1.800 179.434 177.584 0.083 0.000 1.170 410 A CA 1.120 53.210 52.037 0.088 0.000 0.636 410 A CB -0.488 18.632 19.000 0.200 0.000 0.810 410 A HN 0.355 nan 8.150 nan 0.000 0.448 411 F N -0.023 119.795 119.950 -0.220 0.000 2.743 411 F HA 0.360 4.888 4.527 0.001 0.000 0.297 411 F C 2.103 177.842 175.800 -0.100 0.000 1.131 411 F CA 0.052 57.931 58.000 -0.202 0.000 1.426 411 F CB -0.261 38.452 39.000 -0.478 0.000 1.116 411 F HN 0.235 nan 8.300 nan 0.000 0.583 412 A N -0.436 122.474 122.820 0.151 0.000 1.862 412 A HA -0.025 4.295 4.320 0.001 0.000 0.211 412 A C 1.957 179.576 177.584 0.059 0.000 1.220 412 A CA 1.181 53.279 52.037 0.101 0.000 0.616 412 A CB -0.896 18.142 19.000 0.063 0.000 0.878 412 A HN 0.197 nan 8.150 nan 0.000 0.453 413 D N 0.181 120.608 120.400 0.045 0.000 2.265 413 D HA -0.016 4.624 4.640 0.001 0.000 0.208 413 D C 1.796 178.102 176.300 0.010 0.000 0.977 413 D CA 1.198 55.214 54.000 0.027 0.000 0.871 413 D CB -0.043 40.774 40.800 0.029 0.000 0.925 413 D HN 0.380 nan 8.370 nan 0.000 0.485 414 A N -0.296 122.523 122.820 -0.003 0.000 2.178 414 A HA 0.082 4.402 4.320 0.001 0.000 0.211 414 A C 2.136 179.679 177.584 -0.067 0.000 1.157 414 A CA -0.060 51.947 52.037 -0.050 0.000 0.780 414 A CB -0.290 18.656 19.000 -0.091 0.000 0.828 414 A HN 0.225 nan 8.150 nan 0.000 0.476 415 L N -0.435 120.768 121.223 -0.034 0.000 2.353 415 L HA -0.145 4.195 4.340 0.001 0.000 0.220 415 L C 1.871 178.737 176.870 -0.006 0.000 1.133 415 L CA 1.089 55.923 54.840 -0.010 0.000 0.798 415 L CB -0.543 41.540 42.059 0.041 0.000 0.922 415 L HN 0.468 nan 8.230 nan 0.000 0.445 416 E N 0.001 120.198 120.200 -0.006 0.000 2.502 416 E HA -0.071 4.280 4.350 0.001 0.000 0.194 416 E C 2.062 178.651 176.600 -0.018 0.000 1.062 416 E CA 0.354 56.749 56.400 -0.008 0.000 0.867 416 E CB 0.243 29.942 29.700 -0.002 0.000 0.888 416 E HN 0.471 nan 8.360 nan 0.000 0.510 417 V N -0.193 119.705 119.914 -0.027 0.000 2.231 417 V HA -0.320 3.801 4.120 0.001 0.000 0.248 417 V C 2.068 178.143 176.094 -0.031 0.000 1.054 417 V CA 1.407 63.688 62.300 -0.032 0.000 1.015 417 V CB -0.666 31.136 31.823 -0.035 0.000 0.638 417 V HN 0.138 nan 8.190 nan 0.000 0.444 418 I N 0.901 121.452 120.570 -0.031 0.000 2.179 418 I HA -0.039 4.131 4.170 0.001 0.000 0.242 418 I C 0.174 176.274 176.117 -0.030 0.000 1.088 418 I CA 0.736 62.018 61.300 -0.029 0.000 1.357 418 I CB -2.592 35.392 38.000 -0.026 0.000 1.051 418 I HN 0.341 nan 8.210 nan 0.000 0.409 419 P HA -0.081 nan 4.420 nan 0.000 0.214 419 P C 1.801 179.081 177.300 -0.033 0.000 1.162 419 P CA 1.249 64.330 63.100 -0.032 0.000 0.874 419 P CB -0.044 31.638 31.700 -0.029 0.000 0.784 420 R N -0.315 120.168 120.500 -0.028 0.000 2.273 420 R HA -0.233 4.107 4.340 0.001 0.000 0.229 420 R C 2.245 178.526 176.300 -0.032 0.000 1.104 420 R CA 3.291 59.374 56.100 -0.027 0.000 0.870 420 R CB -1.932 28.354 30.300 -0.022 0.000 0.894 420 R HN 0.307 nan 8.270 nan 0.000 0.421 421 T N -0.437 114.098 114.554 -0.032 0.000 2.897 421 T HA -0.071 4.279 4.350 0.001 0.000 0.271 421 T C 1.814 176.489 174.700 -0.041 0.000 1.084 421 T CA 1.059 63.139 62.100 -0.034 0.000 1.123 421 T CB -0.167 68.681 68.868 -0.032 0.000 0.865 421 T HN 0.214 nan 8.240 nan 0.000 0.496 422 L N -0.135 121.061 121.223 -0.046 0.000 2.558 422 L HA 0.367 4.707 4.340 0.001 0.000 0.225 422 L C 2.923 179.752 176.870 -0.067 0.000 1.128 422 L CA 0.444 55.248 54.840 -0.059 0.000 0.868 422 L CB -0.540 41.482 42.059 -0.061 0.000 1.006 422 L HN 0.348 nan 8.230 nan 0.000 0.454 423 A N 0.260 123.048 122.820 -0.054 0.000 1.850 423 A HA -0.152 4.168 4.320 0.001 0.000 0.212 423 A C 2.165 179.724 177.584 -0.042 0.000 1.208 423 A CA 0.954 52.962 52.037 -0.048 0.000 0.609 423 A CB -0.312 18.666 19.000 -0.037 0.000 0.860 423 A HN 0.297 nan 8.150 nan 0.000 0.448 424 E N 0.162 120.341 120.200 -0.037 0.000 2.085 424 E HA -0.215 4.135 4.350 0.001 0.000 0.194 424 E C 1.430 178.010 176.600 -0.033 0.000 0.994 424 E CA 1.320 57.702 56.400 -0.030 0.000 0.801 424 E CB -0.133 29.550 29.700 -0.027 0.000 0.743 424 E HN 0.517 nan 8.360 nan 0.000 0.453 425 N N -0.213 118.463 118.700 -0.040 0.000 2.519 425 N HA -0.127 4.613 4.740 0.001 0.000 0.186 425 N C 0.898 176.380 175.510 -0.047 0.000 1.062 425 N CA 1.012 54.036 53.050 -0.042 0.000 0.910 425 N CB 0.113 38.571 38.487 -0.048 0.000 0.958 425 N HN 0.125 nan 8.380 nan 0.000 0.445 426 A N -0.550 122.239 122.820 -0.052 0.000 2.390 426 A HA 0.477 4.797 4.320 0.001 0.000 0.232 426 A C 1.405 178.967 177.584 -0.037 0.000 1.233 426 A CA 0.387 52.390 52.037 -0.057 0.000 0.907 426 A CB -0.095 18.856 19.000 -0.081 0.000 0.967 426 A HN 0.178 nan 8.150 nan 0.000 0.512 427 G N -0.192 108.590 108.800 -0.029 0.000 2.258 427 G HA2 -0.236 3.724 3.960 0.001 0.000 0.274 427 G HA3 -0.236 3.724 3.960 0.001 0.000 0.274 427 G C 0.129 175.018 174.900 -0.018 0.000 1.021 427 G CA 0.693 45.781 45.100 -0.020 0.000 0.798 427 G HN 0.455 nan 8.290 nan 0.000 0.507 428 L N 0.483 121.693 121.223 -0.022 0.000 2.379 428 L HA 0.309 4.650 4.340 0.001 0.000 0.269 428 L C 0.742 177.602 176.870 -0.017 0.000 1.084 428 L CA -0.743 54.085 54.840 -0.019 0.000 0.802 428 L CB 0.993 43.039 42.059 -0.021 0.000 1.175 428 L HN 0.368 nan 8.230 nan 0.000 0.448 429 D N 1.866 122.258 120.400 -0.013 0.000 2.401 429 D HA 0.042 4.683 4.640 0.001 0.000 0.254 429 D C 0.413 176.705 176.300 -0.014 0.000 1.192 429 D CA 0.095 54.088 54.000 -0.012 0.000 0.885 429 D CB 1.831 42.625 40.800 -0.011 0.000 1.147 429 D HN 0.609 nan 8.370 nan 0.000 0.478 430 A N 4.962 127.774 122.820 -0.015 0.000 1.843 430 A HA -0.083 4.237 4.320 0.001 0.000 0.213 430 A C 2.314 179.890 177.584 -0.013 0.000 1.202 430 A CA 0.945 52.972 52.037 -0.016 0.000 0.607 430 A CB -0.635 18.354 19.000 -0.018 0.000 0.847 430 A HN 0.810 nan 8.150 nan 0.000 0.445 431 I N -1.609 118.955 120.570 -0.009 0.000 2.756 431 I HA -0.139 4.031 4.170 0.001 0.000 0.262 431 I C 1.666 177.779 176.117 -0.006 0.000 1.225 431 I CA 1.598 62.894 61.300 -0.007 0.000 1.472 431 I CB -0.263 37.735 38.000 -0.004 0.000 1.094 431 I HN 0.244 nan 8.210 nan 0.000 0.454 432 E N 1.638 121.833 120.200 -0.007 0.000 2.028 432 E HA -0.133 4.218 4.350 0.001 0.000 0.190 432 E C 2.386 178.981 176.600 -0.008 0.000 0.984 432 E CA 1.300 57.696 56.400 -0.006 0.000 0.800 432 E CB -0.142 29.555 29.700 -0.005 0.000 0.758 432 E HN 0.573 nan 8.360 nan 0.000 0.448 433 I N 1.857 122.420 120.570 -0.012 0.000 2.315 433 I HA -0.225 3.945 4.170 0.001 0.000 0.248 433 I C 2.729 178.835 176.117 -0.019 0.000 1.117 433 I CA 0.690 61.979 61.300 -0.017 0.000 1.404 433 I CB -0.783 37.202 38.000 -0.024 0.000 1.071 433 I HN 0.101 nan 8.210 nan 0.000 0.419 434 L N -0.333 120.880 121.223 -0.015 0.000 1.989 434 L HA -0.148 4.192 4.340 0.001 0.000 0.211 434 L C 2.498 179.363 176.870 -0.008 0.000 1.071 434 L CA 1.607 56.439 54.840 -0.013 0.000 0.749 434 L CB -1.518 40.528 42.059 -0.021 0.000 0.890 434 L HN -0.135 nan 8.230 nan 0.000 0.431 435 V N 0.163 120.074 119.914 -0.004 0.000 2.380 435 V HA -0.291 3.829 4.120 0.001 0.000 0.251 435 V C 2.915 179.009 176.094 0.000 0.000 1.063 435 V CA 2.227 64.527 62.300 0.001 0.000 1.055 435 V CB -0.819 31.004 31.823 -0.000 0.000 0.657 435 V HN 0.487 nan 8.190 nan 0.000 0.455 436 K N -0.545 119.851 120.400 -0.006 0.000 2.001 436 K HA -0.112 4.209 4.320 0.001 0.000 0.208 436 K C 2.094 178.685 176.600 -0.014 0.000 1.048 436 K CA 1.490 57.772 56.287 -0.008 0.000 0.932 436 K CB -0.353 32.139 32.500 -0.014 0.000 0.715 436 K HN 0.366 nan 8.250 nan 0.000 0.437 437 V N 1.230 121.126 119.914 -0.030 0.000 2.323 437 V HA -0.194 3.927 4.120 0.001 0.000 0.244 437 V C 2.352 178.428 176.094 -0.030 0.000 1.041 437 V CA 1.442 63.703 62.300 -0.065 0.000 1.025 437 V CB -0.439 31.326 31.823 -0.097 0.000 0.656 437 V HN 0.287 nan 8.190 nan 0.000 0.451 438 R N 0.123 120.626 120.500 0.005 0.000 2.094 438 R HA -0.203 4.138 4.340 0.001 0.000 0.239 438 R C 2.447 178.782 176.300 0.058 0.000 1.137 438 R CA 1.753 57.879 56.100 0.043 0.000 0.943 438 R CB -0.739 29.578 30.300 0.029 0.000 0.850 438 R HN 0.526 nan 8.270 nan 0.000 0.433 439 A N 0.647 123.488 122.820 0.035 0.000 1.978 439 A HA -0.142 4.178 4.320 0.001 0.000 0.220 439 A C 2.168 179.781 177.584 0.049 0.000 1.170 439 A CA 1.933 53.991 52.037 0.034 0.000 0.636 439 A CB -0.422 18.592 19.000 0.022 0.000 0.810 439 A HN 0.470 nan 8.150 nan 0.000 0.448 440 A N -2.730 120.124 122.820 0.055 0.000 2.147 440 A HA 0.109 4.429 4.320 0.001 0.000 0.211 440 A C 1.831 179.509 177.584 0.158 0.000 1.160 440 A CA 0.779 52.856 52.037 0.067 0.000 0.781 440 A CB -0.607 18.413 19.000 0.034 0.000 0.842 440 A HN 0.714 nan 8.150 nan 0.000 0.475 441 H N -1.009 118.064 119.070 0.005 0.000 2.448 441 H HA 0.113 4.669 4.556 0.001 0.000 0.292 441 H C 2.210 177.541 175.328 0.005 0.000 1.035 441 H CA 0.595 56.646 56.048 0.005 0.000 1.349 441 H CB 0.290 30.055 29.762 0.005 0.000 1.425 441 H HN 0.524 nan 8.280 nan 0.000 0.539 442 A N -0.175 122.696 122.820 0.085 0.000 2.209 442 A HA -0.037 4.284 4.320 0.001 0.000 0.212 442 A C 1.758 179.351 177.584 0.015 0.000 1.158 442 A CA 1.246 53.299 52.037 0.026 0.000 0.742 442 A CB 0.066 19.085 19.000 0.032 0.000 0.790 442 A HN 0.270 nan 8.150 nan 0.000 0.472 443 S N -1.803 113.916 115.700 0.032 0.000 2.653 443 S HA 0.073 4.544 4.470 0.001 0.000 0.259 443 S C 1.224 175.838 174.600 0.023 0.000 1.076 443 S CA 0.221 58.435 58.200 0.023 0.000 1.051 443 S CB 0.007 63.223 63.200 0.027 0.000 0.994 443 S HN 0.657 nan 8.310 nan 0.000 0.552 444 N N 1.060 119.785 118.700 0.040 0.000 2.413 444 N HA 0.499 5.240 4.740 0.001 0.000 0.193 444 N C 0.853 176.369 175.510 0.009 0.000 1.043 444 N CA 0.822 53.897 53.050 0.041 0.000 0.910 444 N CB 0.314 38.843 38.487 0.069 0.000 1.111 444 N HN 0.422 nan 8.380 nan 0.000 0.452 445 G N -0.494 108.286 108.800 -0.033 0.000 2.339 445 G HA2 -0.135 3.825 3.960 0.001 0.000 0.275 445 G HA3 -0.135 3.825 3.960 0.001 0.000 0.275 445 G C -0.606 174.134 174.900 -0.267 0.000 1.323 445 G CA -0.024 45.001 45.100 -0.125 0.000 0.927 445 G HN 0.298 nan 8.290 nan 0.000 0.486 446 N N 1.390 119.976 118.700 -0.191 0.000 2.004 446 N HA -0.176 4.565 4.740 0.001 0.000 0.196 446 N C 2.130 177.656 175.510 0.026 0.000 1.064 446 N CA 2.374 55.330 53.050 -0.158 0.000 0.855 446 N CB -0.610 37.839 38.487 -0.064 0.000 1.056 446 N HN 1.088 nan 8.380 nan 0.000 0.423 447 K N 0.181 120.615 120.400 0.056 0.000 2.200 447 K HA -0.387 3.933 4.320 0.001 0.000 0.206 447 K C 0.625 177.310 176.600 0.142 0.000 0.782 447 K CA 2.047 58.383 56.287 0.082 0.000 1.047 447 K CB -1.798 30.728 32.500 0.043 0.000 0.989 447 K HN 0.548 nan 8.250 nan 0.000 0.595 448 C N 1.725 121.118 119.300 0.155 0.000 2.394 448 C HA 0.697 5.157 4.460 0.001 0.000 0.362 448 C C 0.274 175.398 174.990 0.222 0.000 1.268 448 C CA 0.074 59.183 59.018 0.152 0.000 1.828 448 C CB -0.275 27.510 27.740 0.075 0.000 2.442 448 C HN 0.922 nan 8.230 nan 0.000 0.549 449 A N 4.298 127.116 122.820 -0.002 0.000 2.111 449 A HA 0.396 4.716 4.320 0.001 0.000 0.230 449 A C -0.064 177.189 177.584 -0.552 0.000 2.725 449 A CA 0.165 51.906 52.037 -0.494 0.000 2.096 449 A CB -1.578 17.225 19.000 -0.329 0.000 0.237 449 A HN 2.048 nan 8.150 nan 0.000 0.930 450 G N -0.604 108.059 108.800 -0.229 0.000 2.568 450 G HA2 0.718 4.678 3.960 0.001 0.000 0.313 450 G HA3 0.718 4.678 3.960 0.001 0.000 0.313 450 G C -0.422 174.414 174.900 -0.107 0.000 1.227 450 G CA -0.803 44.215 45.100 -0.137 0.000 0.979 450 G HN 0.891 nan 8.290 nan 0.000 0.486 451 L N 1.187 122.363 121.223 -0.079 0.000 2.701 451 L HA 0.336 4.676 4.340 0.001 0.000 0.237 451 L C 0.196 177.032 176.870 -0.056 0.000 1.204 451 L CA -1.441 53.361 54.840 -0.063 0.000 1.109 451 L CB -0.381 41.639 42.059 -0.065 0.000 1.409 451 L HN 0.442 nan 8.230 nan 0.000 0.428 452 N N 0.310 118.991 118.700 -0.030 0.000 2.442 452 N HA 0.105 4.845 4.740 0.001 0.000 0.265 452 N C 1.491 176.965 175.510 -0.060 0.000 1.138 452 N CA 0.038 53.079 53.050 -0.015 0.000 0.956 452 N CB 1.395 39.932 38.487 0.084 0.000 1.067 452 N HN 0.279 nan 8.380 nan 0.000 0.474 453 V N 3.199 123.000 119.914 -0.188 0.000 2.353 453 V HA -0.333 3.788 4.120 0.001 0.000 0.260 453 V C 1.171 177.128 176.094 -0.228 0.000 1.091 453 V CA 1.891 63.998 62.300 -0.323 0.000 1.088 453 V CB -1.080 30.301 31.823 -0.737 0.000 0.672 453 V HN 0.559 nan 8.190 nan 0.000 0.455 454 F N 1.684 121.628 119.950 -0.011 0.000 2.204 454 F HA 0.138 4.665 4.527 0.001 0.000 0.276 454 F C 2.865 178.660 175.800 -0.009 0.000 1.085 454 F CA 2.032 60.027 58.000 -0.009 0.000 1.160 454 F CB -1.277 37.718 39.000 -0.008 0.000 1.091 454 F HN 0.231 nan 8.300 nan 0.000 0.522 455 T N -2.012 112.686 114.554 0.240 0.000 3.014 455 T HA 0.317 4.667 4.350 0.001 0.000 0.263 455 T C 1.236 175.977 174.700 0.068 0.000 1.078 455 T CA 0.658 62.827 62.100 0.115 0.000 1.135 455 T CB -0.543 68.375 68.868 0.083 0.000 0.895 455 T HN 0.522 nan 8.240 nan 0.000 0.480 456 G N 1.098 109.930 108.800 0.054 0.000 2.756 456 G HA2 0.401 4.361 3.960 0.001 0.000 0.272 456 G HA3 0.401 4.361 3.960 0.001 0.000 0.272 456 G C -0.151 174.755 174.900 0.010 0.000 1.128 456 G CA -0.426 44.684 45.100 0.017 0.000 1.145 456 G HN 1.215 nan 8.290 nan 0.000 0.545 457 A N -0.620 122.205 122.820 0.008 0.000 2.522 457 A HA 0.916 5.237 4.320 0.001 0.000 0.291 457 A C 0.058 177.638 177.584 -0.008 0.000 1.039 457 A CA 0.021 52.057 52.037 -0.000 0.000 0.643 457 A CB 0.489 19.495 19.000 0.010 0.000 1.310 457 A HN 1.856 nan 8.150 nan 0.000 0.436 458 V N -0.190 119.713 119.914 -0.018 0.000 2.843 458 V HA 0.580 4.700 4.120 0.001 0.000 0.305 458 V C 0.333 176.412 176.094 -0.024 0.000 1.065 458 V CA 0.368 62.645 62.300 -0.039 0.000 1.116 458 V CB 0.831 32.629 31.823 -0.042 0.000 0.968 458 V HN 1.035 nan 8.190 nan 0.000 0.487 459 E N 0.387 120.569 120.200 -0.030 0.000 2.407 459 E HA 0.259 4.610 4.350 0.001 0.000 0.279 459 E C -1.462 175.138 176.600 -0.001 0.000 1.012 459 E CA -0.765 55.634 56.400 -0.002 0.000 0.800 459 E CB 1.678 31.387 29.700 0.015 0.000 1.276 459 E HN 0.787 nan 8.360 nan 0.000 0.452 460 D N 3.442 123.853 120.400 0.018 0.000 2.359 460 D HA -0.017 4.623 4.640 0.001 0.000 0.273 460 D C 0.901 177.218 176.300 0.029 0.000 1.362 460 D CA 0.311 54.328 54.000 0.029 0.000 1.010 460 D CB 0.499 41.317 40.800 0.029 0.000 1.090 460 D HN 0.425 nan 8.370 nan 0.000 0.521 461 M N 2.364 121.982 119.600 0.030 0.000 2.132 461 M HA -0.166 4.315 4.480 0.001 0.000 0.263 461 M C 2.530 178.851 176.300 0.034 0.000 1.065 461 M CA 0.501 55.820 55.300 0.031 0.000 1.122 461 M CB -1.419 31.198 32.600 0.028 0.000 1.365 461 M HN 0.522 nan 8.290 nan 0.000 0.411 462 C N 1.230 120.553 119.300 0.037 0.000 2.320 462 C HA -0.253 4.207 4.460 0.001 0.000 0.266 462 C C 2.646 177.651 174.990 0.025 0.000 1.119 462 C CA 1.900 60.937 59.018 0.032 0.000 1.813 462 C CB -0.954 26.805 27.740 0.032 0.000 2.057 462 C HN 0.581 nan 8.230 nan 0.000 0.433 463 E N -0.970 119.245 120.200 0.025 0.000 2.340 463 E HA -0.047 4.303 4.350 0.001 0.000 0.194 463 E C 1.646 178.257 176.600 0.018 0.000 0.996 463 E CA 0.306 56.718 56.400 0.019 0.000 0.869 463 E CB -0.230 29.481 29.700 0.017 0.000 0.835 463 E HN 0.656 nan 8.360 nan 0.000 0.493 464 N N 0.824 119.537 118.700 0.021 0.000 2.112 464 N HA -0.178 4.563 4.740 0.001 0.000 0.200 464 N C 0.893 176.415 175.510 0.020 0.000 1.011 464 N CA 1.435 54.499 53.050 0.023 0.000 0.891 464 N CB -0.243 38.265 38.487 0.034 0.000 1.060 464 N HN 0.116 nan 8.380 nan 0.000 0.478 465 G N 0.453 109.265 108.800 0.021 0.000 2.428 465 G HA2 0.196 4.157 3.960 0.001 0.000 0.290 465 G HA3 0.196 4.157 3.960 0.001 0.000 0.290 465 G C 0.233 175.149 174.900 0.025 0.000 0.996 465 G CA 0.012 45.127 45.100 0.024 0.000 1.406 465 G HN 0.451 nan 8.290 nan 0.000 0.445 466 V N 1.089 121.022 119.914 0.032 0.000 3.486 466 V HA -0.002 4.118 4.120 0.001 0.000 0.251 466 V C -0.016 176.096 176.094 0.029 0.000 0.967 466 V CA 0.357 62.679 62.300 0.035 0.000 1.073 466 V CB -1.860 29.991 31.823 0.046 0.000 0.683 466 V HN 0.607 nan 8.190 nan 0.000 0.430 467 V N 3.270 123.199 119.914 0.025 0.000 3.178 467 V HA 0.734 4.854 4.120 0.001 0.000 0.302 467 V C -0.316 175.789 176.094 0.019 0.000 1.262 467 V CA -0.607 61.707 62.300 0.023 0.000 1.030 467 V CB 2.214 34.051 31.823 0.023 0.000 1.074 467 V HN 0.936 nan 8.190 nan 0.000 0.438 468 E N 1.535 121.746 120.200 0.018 0.000 2.336 468 E HA 0.704 5.054 4.350 0.001 0.000 0.267 468 E C -3.008 173.599 176.600 0.013 0.000 0.906 468 E CA -2.253 54.156 56.400 0.014 0.000 0.781 468 E CB 2.307 32.015 29.700 0.013 0.000 1.261 468 E HN 0.424 nan 8.360 nan 0.000 0.436 469 P HA -0.021 nan 4.420 nan 0.000 0.274 469 P C 0.220 177.525 177.300 0.009 0.000 1.264 469 P CA -0.381 62.724 63.100 0.009 0.000 0.795 469 P CB 0.808 32.512 31.700 0.007 0.000 1.064 470 L N -0.796 120.431 121.223 0.007 0.000 2.590 470 L HA 0.198 4.538 4.340 0.001 0.000 0.227 470 L C 2.302 179.175 176.870 0.006 0.000 1.099 470 L CA 0.539 55.383 54.840 0.007 0.000 0.872 470 L CB -0.089 41.973 42.059 0.005 0.000 1.088 470 L HN 0.316 nan 8.230 nan 0.000 0.479 471 R N -0.442 120.061 120.500 0.006 0.000 2.100 471 R HA -0.104 4.236 4.340 0.001 0.000 0.220 471 R C 2.171 178.476 176.300 0.008 0.000 1.091 471 R CA 1.121 57.224 56.100 0.006 0.000 0.986 471 R CB -0.218 30.085 30.300 0.005 0.000 0.888 471 R HN 0.187 nan 8.270 nan 0.000 0.444 472 V N 1.223 121.142 119.914 0.008 0.000 2.257 472 V HA -0.412 3.708 4.120 0.001 0.000 0.257 472 V C 2.010 178.111 176.094 0.011 0.000 1.077 472 V CA 2.733 65.038 62.300 0.009 0.000 1.063 472 V CB -0.376 31.451 31.823 0.008 0.000 0.664 472 V HN 0.452 nan 8.190 nan 0.000 0.450 473 K N 0.190 120.598 120.400 0.012 0.000 2.137 473 K HA -0.049 4.271 4.320 0.001 0.000 0.202 473 K C 2.217 178.828 176.600 0.018 0.000 1.052 473 K CA 1.844 58.140 56.287 0.015 0.000 0.961 473 K CB -0.627 31.883 32.500 0.016 0.000 0.741 473 K HN 0.775 nan 8.250 nan 0.000 0.452 474 T N -1.513 113.049 114.554 0.014 0.000 2.708 474 T HA -0.162 4.188 4.350 0.001 0.000 0.266 474 T C 2.004 176.715 174.700 0.018 0.000 1.037 474 T CA 1.267 63.375 62.100 0.014 0.000 1.146 474 T CB -0.373 68.500 68.868 0.008 0.000 0.865 474 T HN 0.160 nan 8.240 nan 0.000 0.435 475 Q N 1.143 120.952 119.800 0.016 0.000 2.212 475 Q HA 0.432 4.773 4.340 0.001 0.000 0.199 475 Q C 2.413 178.425 176.000 0.021 0.000 0.950 475 Q CA 1.308 57.121 55.803 0.017 0.000 0.863 475 Q CB -0.827 27.919 28.738 0.012 0.000 0.944 475 Q HN 0.686 nan 8.270 nan 0.000 0.465 476 A N -0.068 122.763 122.820 0.019 0.000 2.015 476 A HA -0.076 4.244 4.320 0.001 0.000 0.219 476 A C 1.860 179.461 177.584 0.027 0.000 1.163 476 A CA 1.086 53.134 52.037 0.019 0.000 0.646 476 A CB -0.398 18.610 19.000 0.014 0.000 0.806 476 A HN 0.399 nan 8.150 nan 0.000 0.448 477 I N -1.012 119.580 120.570 0.037 0.000 2.628 477 I HA -0.162 4.008 4.170 0.001 0.000 0.255 477 I C 2.552 178.716 176.117 0.079 0.000 1.119 477 I CA 0.903 62.238 61.300 0.059 0.000 1.448 477 I CB -0.718 37.327 38.000 0.075 0.000 1.133 477 I HN 0.468 nan 8.210 nan 0.000 0.438 478 Q N 1.287 121.122 119.800 0.059 0.000 1.994 478 Q HA -0.132 4.208 4.340 0.001 0.000 0.198 478 Q C 2.316 178.350 176.000 0.056 0.000 0.976 478 Q CA 2.057 57.895 55.803 0.059 0.000 0.828 478 Q CB -0.476 28.285 28.738 0.038 0.000 0.894 478 Q HN 0.455 nan 8.270 nan 0.000 0.432 479 S N 1.356 117.080 115.700 0.040 0.000 2.400 479 S HA -0.148 4.323 4.470 0.001 0.000 0.232 479 S C 2.214 176.836 174.600 0.036 0.000 1.025 479 S CA 0.806 59.026 58.200 0.034 0.000 0.993 479 S CB -0.590 62.624 63.200 0.024 0.000 0.808 479 S HN 0.432 nan 8.310 nan 0.000 0.478 480 A N 2.707 125.549 122.820 0.037 0.000 1.869 480 A HA 0.019 4.340 4.320 0.001 0.000 0.218 480 A C 2.616 180.234 177.584 0.057 0.000 1.203 480 A CA 2.446 54.504 52.037 0.035 0.000 0.638 480 A CB -1.678 17.332 19.000 0.016 0.000 0.831 480 A HN 0.947 nan 8.150 nan 0.000 0.450 481 A N -0.571 122.309 122.820 0.100 0.000 1.933 481 A HA -0.138 4.182 4.320 0.001 0.000 0.218 481 A C 1.849 179.544 177.584 0.185 0.000 1.175 481 A CA 1.549 53.695 52.037 0.182 0.000 0.628 481 A CB -0.456 18.760 19.000 0.359 0.000 0.814 481 A HN 0.652 nan 8.150 nan 0.000 0.444 482 E N -0.533 119.739 120.200 0.120 0.000 2.481 482 E HA 0.001 4.351 4.350 0.001 0.000 0.195 482 E C 1.685 178.320 176.600 0.058 0.000 1.047 482 E CA 0.616 57.067 56.400 0.085 0.000 0.867 482 E CB 0.025 29.764 29.700 0.065 0.000 0.858 482 E HN 0.507 nan 8.360 nan 0.000 0.513 483 S N 0.779 116.510 115.700 0.051 0.000 2.404 483 S HA -0.067 4.403 4.470 0.001 0.000 0.223 483 S C 2.096 176.712 174.600 0.027 0.000 1.040 483 S CA 1.296 59.516 58.200 0.033 0.000 0.957 483 S CB 0.069 63.284 63.200 0.024 0.000 0.826 483 S HN 0.416 nan 8.310 nan 0.000 0.491 484 T N 0.272 114.845 114.554 0.032 0.000 3.148 484 T HA 0.137 4.487 4.350 0.001 0.000 0.253 484 T C 1.160 175.868 174.700 0.013 0.000 1.134 484 T CA 0.695 62.805 62.100 0.017 0.000 1.051 484 T CB -0.171 68.697 68.868 -0.000 0.000 0.959 484 T HN 0.718 nan 8.240 nan 0.000 0.525 485 E N 0.358 120.578 120.200 0.033 0.000 2.372 485 E HA 0.144 4.495 4.350 0.001 0.000 0.201 485 E C 2.124 178.731 176.600 0.012 0.000 0.938 485 E CA -0.181 56.232 56.400 0.021 0.000 0.944 485 E CB -0.382 29.339 29.700 0.034 0.000 0.937 485 E HN 0.432 nan 8.360 nan 0.000 0.495 486 M N 1.279 120.891 119.600 0.019 0.000 2.352 486 M HA -0.246 4.234 4.480 0.001 0.000 0.260 486 M C 1.932 178.234 176.300 0.003 0.000 1.068 486 M CA 1.836 57.143 55.300 0.012 0.000 1.082 486 M CB -0.197 32.411 32.600 0.014 0.000 1.262 486 M HN 0.282 nan 8.290 nan 0.000 0.444 487 L N 0.462 121.686 121.223 0.003 0.000 2.362 487 L HA -0.156 4.184 4.340 0.001 0.000 0.219 487 L C 2.206 179.069 176.870 -0.011 0.000 1.134 487 L CA 0.075 54.915 54.840 -0.000 0.000 0.807 487 L CB -0.535 41.527 42.059 0.004 0.000 0.927 487 L HN 0.443 nan 8.230 nan 0.000 0.447 488 L N 0.704 121.912 121.223 -0.025 0.000 2.064 488 L HA -0.254 4.086 4.340 0.001 0.000 0.216 488 L C 2.590 179.430 176.870 -0.049 0.000 1.077 488 L CA 2.284 57.095 54.840 -0.049 0.000 0.766 488 L CB -0.686 41.327 42.059 -0.077 0.000 0.890 488 L HN 0.479 nan 8.230 nan 0.000 0.435 489 R N -2.186 118.297 120.500 -0.028 0.000 2.316 489 R HA 0.230 4.570 4.340 0.001 0.000 0.201 489 R C 0.906 177.198 176.300 -0.013 0.000 0.888 489 R CA -0.246 55.838 56.100 -0.026 0.000 1.041 489 R CB -0.224 30.066 30.300 -0.017 0.000 1.115 489 R HN 0.169 nan 8.270 nan 0.000 0.559 490 I N 4.404 124.971 120.570 -0.005 0.000 2.505 490 I HA -0.055 4.115 4.170 0.001 0.000 0.287 490 I C 0.356 176.475 176.117 0.004 0.000 1.104 490 I CA 0.130 61.432 61.300 0.004 0.000 1.387 490 I CB 0.938 38.941 38.000 0.005 0.000 1.404 490 I HN 0.364 nan 8.210 nan 0.000 0.528 491 D N 4.744 125.149 120.400 0.009 0.000 2.379 491 D HA -0.002 4.638 4.640 0.001 0.000 0.208 491 D C 0.187 176.507 176.300 0.034 0.000 1.065 491 D CA 0.116 54.125 54.000 0.013 0.000 0.848 491 D CB 0.427 41.226 40.800 -0.002 0.000 0.949 491 D HN 0.398 nan 8.370 nan 0.000 0.509 492 D N 0.701 121.122 120.400 0.036 0.000 2.602 492 D HA 0.217 4.858 4.640 0.001 0.000 0.245 492 D C -1.334 174.986 176.300 0.034 0.000 1.325 492 D CA -0.581 53.442 54.000 0.037 0.000 0.952 492 D CB 2.198 43.013 40.800 0.024 0.000 1.317 492 D HN -0.185 nan 8.370 nan 0.000 0.577 493 V N 5.116 125.061 119.914 0.052 0.000 2.305 493 V HA 0.368 4.489 4.120 0.001 0.000 0.275 493 V C 0.578 176.669 176.094 -0.004 0.000 1.020 493 V CA -0.806 61.515 62.300 0.036 0.000 0.811 493 V CB 0.834 32.692 31.823 0.058 0.000 1.031 493 V HN 0.425 nan 8.190 nan 0.000 0.439 494 I N 3.253 123.803 120.570 -0.034 0.000 2.269 494 I HA 0.721 4.891 4.170 0.001 0.000 0.293 494 I C 0.755 176.839 176.117 -0.055 0.000 1.106 494 I CA -0.032 61.230 61.300 -0.063 0.000 1.248 494 I CB 0.639 38.605 38.000 -0.057 0.000 1.444 494 I HN 0.585 nan 8.210 nan 0.000 0.497 495 A N 5.433 128.216 122.820 -0.062 0.000 2.263 495 A HA 1.008 5.328 4.320 0.001 0.000 0.318 495 A C 0.120 177.682 177.584 -0.037 0.000 1.111 495 A CA -0.136 51.875 52.037 -0.044 0.000 0.901 495 A CB 1.335 20.312 19.000 -0.037 0.000 1.280 495 A HN 1.359 nan 8.150 nan 0.000 0.503 496 A N -0.356 122.450 122.820 -0.023 0.000 2.187 496 A HA 0.436 4.757 4.320 0.001 0.000 0.589 496 A C -0.155 177.420 177.584 -0.016 0.000 0.245 496 A CA 0.207 52.232 52.037 -0.019 0.000 0.252 496 A CB -1.379 17.607 19.000 -0.023 0.000 3.358 496 A HN 2.090 nan 8.150 nan 0.000 0.492 497 E N 0.000 120.194 120.200 -0.010 0.000 2.725 497 E HA 0.000 4.350 4.350 0.001 0.000 0.291 497 E CA 0.000 56.397 56.400 -0.006 0.000 0.976 497 E CB 0.000 29.696 29.700 -0.007 0.000 0.812 497 E HN 0.000 nan 8.360 nan 0.000 0.440