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 1s70_1_B DATA FIRST_RESID 1 DATA SEQUENCE MKMADAKQKR NEQLKRWIGS ETDLEPPVVK RKKTKVKFDD GAVFLAACSS DATA SEQUENCE GDTEEVLRLL ERGADINYAN VDGLTALHQA CIDDNVDMVK FLVENGANIN DATA SEQUENCE QPDNEGWIPL HAAASCGYLD IAEYLISQGA HVGAVNSEGD TPLDIAEEEA DATA SEQUENCE MEELLQNEVN RQGVDIEAAR KEEERIMLRD ARQWLNSGHI NDVRHAKSGG DATA SEQUENCE TALHVAAAKG YTEVLKLLIQ ARYDVNIKDY DGWTPLHAAA HWGKEEACRI DATA SEQUENCE LVENLCDMEA VNKVGQTAFD VADEDILGYL EELQKKQNLL H VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.301 176.300 0.001 0.000 1.140 1 M CA 0.000 55.301 55.300 0.002 0.000 0.988 1 M CB 0.000 32.601 32.600 0.002 0.000 1.302 2 K N -0.762 119.639 120.400 0.001 0.000 2.511 2 K HA 0.283 4.603 4.320 -0.000 0.000 0.206 2 K C 1.103 177.703 176.600 -0.000 0.000 1.333 2 K CA 0.412 56.699 56.287 0.000 0.000 0.957 2 K CB 0.941 33.441 32.500 0.000 0.000 1.172 2 K HN 0.252 nan 8.250 nan 0.000 0.547 3 M N -0.147 119.453 119.600 -0.000 0.000 2.532 3 M HA 0.321 4.801 4.480 -0.000 0.000 0.244 3 M C 1.568 177.868 176.300 -0.000 0.000 1.390 3 M CA 0.676 55.976 55.300 -0.001 0.000 1.132 3 M CB 0.351 32.951 32.600 -0.001 0.000 1.466 3 M HN -0.037 nan 8.290 nan 0.000 0.550 4 A N 0.508 123.328 122.820 0.000 0.000 1.986 4 A HA -0.208 4.112 4.320 -0.000 0.000 0.220 4 A C 1.698 179.283 177.584 0.001 0.000 1.171 4 A CA 2.320 54.358 52.037 0.001 0.000 0.640 4 A CB -1.365 17.636 19.000 0.002 0.000 0.811 4 A HN 0.666 nan 8.150 nan 0.000 0.451 5 D N -0.118 120.283 120.400 0.001 0.000 2.454 5 D HA -0.206 4.434 4.640 -0.000 0.000 0.229 5 D C 2.062 178.362 176.300 -0.000 0.000 1.176 5 D CA 2.751 56.752 54.000 0.001 0.000 1.003 5 D CB -0.490 40.310 40.800 0.000 0.000 1.467 5 D HN 0.377 nan 8.370 nan 0.000 0.537 6 A N -0.250 122.569 122.820 -0.002 0.000 1.915 6 A HA -0.328 3.992 4.320 -0.000 0.000 0.220 6 A C 2.206 179.788 177.584 -0.004 0.000 1.198 6 A CA 2.685 54.720 52.037 -0.004 0.000 0.647 6 A CB -0.780 18.217 19.000 -0.005 0.000 0.825 6 A HN 0.421 nan 8.150 nan 0.000 0.456 7 K N -1.706 118.692 120.400 -0.003 0.000 2.007 7 K HA -0.141 4.179 4.320 -0.000 0.000 0.206 7 K C 2.464 179.064 176.600 -0.000 0.000 1.047 7 K CA 1.550 57.835 56.287 -0.003 0.000 0.937 7 K CB -0.159 32.340 32.500 -0.002 0.000 0.718 7 K HN 0.490 nan 8.250 nan 0.000 0.438 8 Q N 1.308 121.109 119.800 0.002 0.000 2.123 8 Q HA -0.065 4.275 4.340 -0.000 0.000 0.199 8 Q C 1.723 177.727 176.000 0.006 0.000 0.966 8 Q CA 1.501 57.306 55.803 0.005 0.000 0.845 8 Q CB 0.224 28.965 28.738 0.005 0.000 0.907 8 Q HN 0.053 nan 8.270 nan 0.000 0.439 9 K N 0.139 120.541 120.400 0.005 0.000 2.032 9 K HA -0.137 4.183 4.320 -0.000 0.000 0.209 9 K C 2.133 178.737 176.600 0.007 0.000 1.048 9 K CA 1.358 57.649 56.287 0.006 0.000 0.927 9 K CB -0.236 32.267 32.500 0.004 0.000 0.712 9 K HN 0.258 nan 8.250 nan 0.000 0.441 10 R N 0.814 121.315 120.500 0.001 0.000 2.081 10 R HA -0.083 4.257 4.340 -0.000 0.000 0.235 10 R C 2.141 178.443 176.300 0.003 0.000 1.131 10 R CA 1.378 57.475 56.100 -0.004 0.000 0.960 10 R CB -0.377 29.915 30.300 -0.012 0.000 0.856 10 R HN 0.398 nan 8.270 nan 0.000 0.436 11 N N 0.592 119.296 118.700 0.006 0.000 2.022 11 N HA -0.142 4.598 4.740 -0.000 0.000 0.194 11 N C 1.054 176.578 175.510 0.024 0.000 1.057 11 N CA 0.739 53.797 53.050 0.014 0.000 0.849 11 N CB -0.035 38.459 38.487 0.012 0.000 1.044 11 N HN 0.157 nan 8.380 nan 0.000 0.424 12 E N 0.919 121.132 120.200 0.022 0.000 2.499 12 E HA -0.185 4.165 4.350 -0.000 0.000 0.207 12 E C 1.146 177.767 176.600 0.035 0.000 1.175 12 E CA 0.564 56.980 56.400 0.027 0.000 0.932 12 E CB 0.114 29.826 29.700 0.020 0.000 0.906 12 E HN 0.526 nan 8.360 nan 0.000 0.556 13 Q N -0.197 119.625 119.800 0.038 0.000 2.581 13 Q HA 0.059 4.399 4.340 -0.000 0.000 0.222 13 Q C 2.174 178.221 176.000 0.079 0.000 0.904 13 Q CA -0.175 55.656 55.803 0.047 0.000 0.923 13 Q CB 0.204 28.957 28.738 0.025 0.000 1.117 13 Q HN 0.201 nan 8.270 nan 0.000 0.618 14 L N 1.449 122.709 121.223 0.063 0.000 2.043 14 L HA -0.249 4.091 4.340 -0.000 0.000 0.212 14 L C 2.403 179.380 176.870 0.179 0.000 1.075 14 L CA 1.524 56.423 54.840 0.097 0.000 0.752 14 L CB -0.420 41.668 42.059 0.049 0.000 0.891 14 L HN 0.193 nan 8.230 nan 0.000 0.432 15 K N 0.019 120.487 120.400 0.113 0.000 2.000 15 K HA -0.260 4.060 4.320 -0.000 0.000 0.218 15 K C 2.169 178.833 176.600 0.107 0.000 1.053 15 K CA 1.929 58.274 56.287 0.096 0.000 0.946 15 K CB -0.337 32.198 32.500 0.059 0.000 0.723 15 K HN 0.293 nan 8.250 nan 0.000 0.446 16 R N 0.065 120.627 120.500 0.103 0.000 2.139 16 R HA -0.182 4.158 4.340 -0.000 0.000 0.243 16 R C 2.178 178.547 176.300 0.114 0.000 1.145 16 R CA 1.544 57.697 56.100 0.087 0.000 0.976 16 R CB -0.400 29.950 30.300 0.083 0.000 0.866 16 R HN 0.565 nan 8.270 nan 0.000 0.449 17 W N 2.044 123.345 121.300 0.001 0.000 2.392 17 W HA -0.166 4.494 4.660 0.000 0.000 0.279 17 W C 1.323 177.843 176.519 0.001 0.000 1.225 17 W CA 1.115 58.460 57.345 0.001 0.000 1.233 17 W CB -0.166 29.294 29.460 0.001 0.000 1.122 17 W HN 0.064 nan 8.180 nan 0.000 0.561 18 I N 1.439 121.991 120.570 -0.030 0.000 2.052 18 I HA -0.278 3.892 4.170 -0.000 0.000 0.235 18 I C 2.783 178.762 176.117 -0.229 0.000 1.046 18 I CA 2.147 63.371 61.300 -0.127 0.000 1.308 18 I CB -1.458 36.541 38.000 -0.003 0.000 1.031 18 I HN 0.005 nan 8.210 nan 0.000 0.395 19 G N 0.180 108.897 108.800 -0.140 0.000 2.448 19 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.219 19 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.219 19 G C 1.034 175.814 174.900 -0.200 0.000 1.127 19 G CA 0.278 45.295 45.100 -0.137 0.000 0.766 19 G HN 0.353 nan 8.290 nan 0.000 0.552 20 S N 0.258 115.805 115.700 -0.255 0.000 2.687 20 S HA 0.073 4.543 4.470 -0.000 0.000 0.248 20 S C 0.693 175.032 174.600 -0.436 0.000 1.390 20 S CA -0.131 57.891 58.200 -0.297 0.000 0.963 20 S CB 0.290 63.328 63.200 -0.269 0.000 0.957 20 S HN 0.273 nan 8.310 nan 0.000 0.584 21 E N 1.273 121.245 120.200 -0.380 0.000 3.187 21 E HA 0.056 4.406 4.350 -0.000 0.000 0.297 21 E C 0.940 177.222 176.600 -0.529 0.000 1.515 21 E CA 0.134 56.332 56.400 -0.336 0.000 1.641 21 E CB -0.763 28.842 29.700 -0.158 0.000 1.314 21 E HN 0.539 nan 8.360 nan 0.000 0.462 22 T N -0.291 113.781 114.554 -0.803 0.000 3.081 22 T HA -0.071 4.279 4.350 -0.000 0.000 0.255 22 T C 1.026 175.561 174.700 -0.275 0.000 1.113 22 T CA 0.850 62.492 62.100 -0.763 0.000 1.082 22 T CB 0.142 68.411 68.868 -0.997 0.000 0.939 22 T HN 0.300 nan 8.240 nan 0.000 0.506 23 D N 0.420 120.668 120.400 -0.253 0.000 2.333 23 D HA 0.037 4.677 4.640 -0.000 0.000 0.208 23 D C 0.974 177.222 176.300 -0.086 0.000 0.984 23 D CA -0.151 53.768 54.000 -0.135 0.000 0.873 23 D CB -0.818 39.905 40.800 -0.128 0.000 0.935 23 D HN 0.385 nan 8.370 nan 0.000 0.521 24 L N 2.108 123.275 121.223 -0.093 0.000 2.698 24 L HA 0.018 4.358 4.340 -0.000 0.000 0.272 24 L C -0.471 176.390 176.870 -0.015 0.000 1.154 24 L CA -0.072 54.742 54.840 -0.045 0.000 0.964 24 L CB -0.236 41.804 42.059 -0.032 0.000 1.272 24 L HN -0.193 nan 8.230 nan 0.000 0.483 25 E N 6.402 126.595 120.200 -0.012 0.000 3.490 25 E HA -0.165 4.185 4.350 -0.000 0.000 0.232 25 E C -1.815 174.794 176.600 0.014 0.000 0.943 25 E CA -0.049 56.351 56.400 0.000 0.000 0.933 25 E CB -0.240 29.459 29.700 -0.001 0.000 0.890 25 E HN 0.458 nan 8.360 nan 0.000 0.576 26 P HA 0.007 nan 4.420 nan 0.000 0.279 26 P C -1.820 175.499 177.300 0.032 0.000 1.451 26 P CA -0.118 63.004 63.100 0.038 0.000 0.783 26 P CB 0.004 31.733 31.700 0.047 0.000 1.490 27 P HA 0.145 nan 4.420 nan 0.000 0.207 27 P C 0.937 178.250 177.300 0.023 0.000 1.109 27 P CA 0.097 63.209 63.100 0.021 0.000 0.736 27 P CB 0.208 31.917 31.700 0.015 0.000 0.912 28 V N -2.778 117.148 119.914 0.020 0.000 3.141 28 V HA 0.045 4.165 4.120 -0.000 0.000 0.225 28 V C 0.418 176.523 176.094 0.019 0.000 1.352 28 V CA 0.015 62.328 62.300 0.021 0.000 1.316 28 V CB -0.255 31.579 31.823 0.019 0.000 1.126 28 V HN -0.001 nan 8.190 nan 0.000 0.493 29 V N 2.670 122.593 119.914 0.015 0.000 5.479 29 V HA -0.226 3.894 4.120 -0.000 0.000 0.289 29 V C 0.656 176.757 176.094 0.012 0.000 0.595 29 V CA 0.590 62.898 62.300 0.012 0.000 0.649 29 V CB -1.736 30.093 31.823 0.012 0.000 0.390 29 V HN 0.586 nan 8.190 nan 0.000 0.974 30 K N 1.535 121.942 120.400 0.013 0.000 2.178 30 K HA -0.069 4.251 4.320 -0.000 0.000 0.256 30 K C 0.980 177.586 176.600 0.009 0.000 1.258 30 K CA 0.726 57.020 56.287 0.013 0.000 1.273 30 K CB -0.152 32.356 32.500 0.013 0.000 0.834 30 K HN 0.656 nan 8.250 nan 0.000 0.447 31 R N 1.306 121.812 120.500 0.009 0.000 2.863 31 R HA 0.030 4.370 4.340 -0.000 0.000 0.273 31 R C 1.106 177.409 176.300 0.004 0.000 1.057 31 R CA 0.018 56.121 56.100 0.006 0.000 1.191 31 R CB 0.216 30.520 30.300 0.006 0.000 1.104 31 R HN 0.235 nan 8.270 nan 0.000 0.519 32 K N 1.331 121.732 120.400 0.003 0.000 2.706 32 K HA 0.012 4.332 4.320 -0.000 0.000 0.217 32 K C -0.220 176.380 176.600 -0.001 0.000 1.019 32 K CA 0.534 56.822 56.287 0.001 0.000 1.181 32 K CB 0.086 32.587 32.500 0.001 0.000 0.940 32 K HN 0.319 nan 8.250 nan 0.000 0.491 33 K N 0.584 120.984 120.400 -0.001 0.000 3.278 33 K HA 0.089 4.409 4.320 -0.000 0.000 0.200 33 K C -0.572 176.024 176.600 -0.007 0.000 1.107 33 K CA -0.101 56.184 56.287 -0.005 0.000 0.923 33 K CB 1.262 33.760 32.500 -0.005 0.000 0.787 33 K HN -0.160 nan 8.250 nan 0.000 0.481 34 T N 1.953 116.504 114.554 -0.005 0.000 4.104 34 T HA 0.102 4.451 4.350 -0.000 0.000 0.285 34 T C 0.986 175.673 174.700 -0.022 0.000 1.346 34 T CA 0.223 62.318 62.100 -0.008 0.000 1.158 34 T CB -0.088 68.781 68.868 0.002 0.000 1.290 34 T HN 0.179 nan 8.240 nan 0.000 0.975 35 K N 0.577 120.959 120.400 -0.030 0.000 2.366 35 K HA 0.087 4.407 4.320 -0.000 0.000 0.198 35 K C 0.617 177.175 176.600 -0.071 0.000 1.044 35 K CA 0.361 56.623 56.287 -0.041 0.000 0.973 35 K CB 0.369 32.848 32.500 -0.035 0.000 0.767 35 K HN 0.279 nan 8.250 nan 0.000 0.475 36 V N 2.545 122.402 119.914 -0.094 0.000 2.465 36 V HA 0.171 4.291 4.120 -0.000 0.000 0.279 36 V C -0.103 175.860 176.094 -0.218 0.000 1.045 36 V CA -0.404 61.790 62.300 -0.176 0.000 0.938 36 V CB 1.199 32.900 31.823 -0.203 0.000 0.986 36 V HN 0.140 nan 8.190 nan 0.000 0.467 37 K N 3.589 123.815 120.400 -0.291 0.000 2.480 37 K HA 0.699 5.019 4.320 -0.000 0.000 0.258 37 K C -1.555 174.812 176.600 -0.388 0.000 0.990 37 K CA -0.623 55.524 56.287 -0.233 0.000 0.857 37 K CB 2.550 34.998 32.500 -0.085 0.000 1.384 37 K HN 0.397 nan 8.250 nan 0.000 0.446 38 F N 0.433 120.383 119.950 0.001 0.000 2.538 38 F HA 0.171 4.698 4.527 -0.000 0.000 0.325 38 F C 0.659 176.455 175.800 -0.007 0.000 1.066 38 F CA -0.721 57.278 58.000 -0.001 0.000 0.946 38 F CB 1.350 40.349 39.000 -0.001 0.000 1.199 38 F HN 0.515 nan 8.300 nan 0.000 0.473 39 D N 2.130 122.651 120.400 0.200 0.000 2.548 39 D HA -0.125 4.515 4.640 -0.000 0.000 0.231 39 D C 0.570 176.897 176.300 0.046 0.000 1.142 39 D CA 0.289 54.346 54.000 0.094 0.000 0.866 39 D CB 0.885 41.737 40.800 0.086 0.000 1.190 39 D HN 0.579 nan 8.370 nan 0.000 0.469 40 D N 3.371 123.767 120.400 -0.006 0.000 2.106 40 D HA -0.166 4.474 4.640 -0.000 0.000 0.191 40 D C 1.848 178.047 176.300 -0.167 0.000 0.997 40 D CA 1.588 55.558 54.000 -0.051 0.000 0.834 40 D CB -0.486 40.274 40.800 -0.066 0.000 0.956 40 D HN 0.718 nan 8.370 nan 0.000 0.448 41 G N 1.186 109.743 108.800 -0.405 0.000 2.491 41 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.218 41 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.218 41 G C 1.787 176.409 174.900 -0.463 0.000 1.180 41 G CA 1.819 46.255 45.100 -1.105 0.000 0.774 41 G HN 0.413 nan 8.290 nan 0.000 0.562 42 A N -0.030 122.692 122.820 -0.163 0.000 1.883 42 A HA -0.001 4.319 4.320 -0.000 0.000 0.217 42 A C 2.634 180.173 177.584 -0.074 0.000 1.186 42 A CA 2.233 54.236 52.037 -0.055 0.000 0.624 42 A CB -0.752 18.247 19.000 -0.003 0.000 0.822 42 A HN 0.348 nan 8.150 nan 0.000 0.444 43 V N -1.262 118.632 119.914 -0.033 0.000 2.427 43 V HA -0.199 3.921 4.120 -0.000 0.000 0.248 43 V C 2.261 178.366 176.094 0.018 0.000 1.051 43 V CA 2.019 64.316 62.300 -0.005 0.000 1.048 43 V CB -0.978 30.883 31.823 0.064 0.000 0.666 43 V HN 0.640 nan 8.190 nan 0.000 0.456 44 F N 0.683 120.565 119.950 -0.112 0.000 2.074 44 F HA -0.091 4.436 4.527 -0.000 0.000 0.293 44 F C 2.034 177.812 175.800 -0.035 0.000 1.116 44 F CA 1.515 59.471 58.000 -0.074 0.000 1.212 44 F CB -0.567 38.366 39.000 -0.111 0.000 0.998 44 F HN 0.088 nan 8.300 nan 0.000 0.471 45 L N 0.650 121.735 121.223 -0.230 0.000 2.270 45 L HA -0.151 4.189 4.340 -0.000 0.000 0.217 45 L C 2.130 178.867 176.870 -0.222 0.000 1.107 45 L CA 1.984 56.689 54.840 -0.224 0.000 0.772 45 L CB -1.177 40.932 42.059 0.084 0.000 0.902 45 L HN 0.329 nan 8.230 nan 0.000 0.439 46 A N -1.738 120.972 122.820 -0.183 0.000 1.942 46 A HA 0.276 4.596 4.320 -0.000 0.000 0.209 46 A C 2.382 179.876 177.584 -0.149 0.000 1.214 46 A CA 0.736 52.687 52.037 -0.144 0.000 0.686 46 A CB -0.790 18.135 19.000 -0.125 0.000 0.871 46 A HN 0.398 nan 8.150 nan 0.000 0.460 47 A N -0.483 122.246 122.820 -0.151 0.000 1.986 47 A HA -0.234 4.086 4.320 -0.000 0.000 0.220 47 A C 2.214 179.718 177.584 -0.134 0.000 1.171 47 A CA 1.940 53.911 52.037 -0.109 0.000 0.640 47 A CB -1.278 17.693 19.000 -0.048 0.000 0.811 47 A HN 0.597 nan 8.150 nan 0.000 0.451 48 C N -1.006 118.162 119.300 -0.220 0.000 2.466 48 C HA -0.018 4.442 4.460 -0.000 0.000 0.278 48 C C 3.179 178.097 174.990 -0.120 0.000 1.288 48 C CA 0.903 59.818 59.018 -0.173 0.000 1.722 48 C CB -1.225 26.362 27.740 -0.256 0.000 2.017 48 C HN 0.648 nan 8.230 nan 0.000 0.488 49 S N 2.177 117.803 115.700 -0.124 0.000 2.389 49 S HA -0.256 4.214 4.470 -0.000 0.000 0.229 49 S C 2.094 176.651 174.600 -0.073 0.000 1.048 49 S CA 2.341 60.490 58.200 -0.083 0.000 1.117 49 S CB -0.802 62.350 63.200 -0.080 0.000 1.020 49 S HN 0.857 nan 8.310 nan 0.000 0.430 50 S N 0.809 116.462 115.700 -0.077 0.000 2.359 50 S HA 0.094 4.564 4.470 -0.000 0.000 0.224 50 S C 1.742 176.298 174.600 -0.074 0.000 1.035 50 S CA 1.376 59.535 58.200 -0.068 0.000 1.018 50 S CB -0.840 62.321 63.200 -0.066 0.000 0.876 50 S HN 1.167 nan 8.310 nan 0.000 0.448 51 G N 0.539 109.286 108.800 -0.088 0.000 2.198 51 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.156 51 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.156 51 G C -0.194 174.626 174.900 -0.134 0.000 1.012 51 G CA 0.036 45.072 45.100 -0.106 0.000 0.692 51 G HN 0.474 nan 8.290 nan 0.000 0.492 52 D N 1.691 122.024 120.400 -0.113 0.000 2.662 52 D HA 0.220 4.860 4.640 -0.000 0.000 0.228 52 D C 1.859 178.063 176.300 -0.159 0.000 1.090 52 D CA 0.783 54.717 54.000 -0.112 0.000 1.118 52 D CB -0.170 40.590 40.800 -0.067 0.000 1.129 52 D HN 0.207 nan 8.370 nan 0.000 0.472 53 T N 1.311 115.688 114.554 -0.294 0.000 2.680 53 T HA -0.262 4.088 4.350 -0.000 0.000 0.268 53 T C 1.580 176.047 174.700 -0.387 0.000 1.033 53 T CA 1.546 63.269 62.100 -0.627 0.000 1.152 53 T CB 0.069 68.401 68.868 -0.894 0.000 0.859 53 T HN 0.523 nan 8.240 nan 0.000 0.452 54 E N 0.473 120.548 120.200 -0.208 0.000 2.033 54 E HA -0.220 4.130 4.350 -0.000 0.000 0.199 54 E C 2.323 178.937 176.600 0.023 0.000 1.011 54 E CA 1.457 57.819 56.400 -0.062 0.000 0.815 54 E CB -0.226 29.443 29.700 -0.052 0.000 0.755 54 E HN 0.587 nan 8.360 nan 0.000 0.451 55 E N 0.613 120.821 120.200 0.014 0.000 2.153 55 E HA -0.174 4.176 4.350 -0.000 0.000 0.194 55 E C 2.109 178.780 176.600 0.118 0.000 0.988 55 E CA 0.926 57.358 56.400 0.054 0.000 0.811 55 E CB 0.183 29.902 29.700 0.032 0.000 0.746 55 E HN 0.062 nan 8.360 nan 0.000 0.466 56 V N 1.296 121.304 119.914 0.157 0.000 2.332 56 V HA -0.290 3.830 4.120 -0.000 0.000 0.248 56 V C 2.437 178.726 176.094 0.324 0.000 1.055 56 V CA 1.459 63.941 62.300 0.304 0.000 1.038 56 V CB -0.530 31.554 31.823 0.435 0.000 0.651 56 V HN 0.334 nan 8.190 nan 0.000 0.450 57 L N 0.400 121.824 121.223 0.334 0.000 1.971 57 L HA -0.251 4.089 4.340 -0.000 0.000 0.215 57 L C 2.961 179.920 176.870 0.148 0.000 1.072 57 L CA 2.567 57.566 54.840 0.264 0.000 0.758 57 L CB -0.741 41.475 42.059 0.262 0.000 0.889 57 L HN 0.435 nan 8.230 nan 0.000 0.433 58 R N 0.508 121.080 120.500 0.121 0.000 2.091 58 R HA -0.189 4.151 4.340 -0.000 0.000 0.238 58 R C 2.166 178.512 176.300 0.077 0.000 1.136 58 R CA 1.563 57.712 56.100 0.081 0.000 0.959 58 R CB -0.893 29.446 30.300 0.066 0.000 0.856 58 R HN 0.336 nan 8.270 nan 0.000 0.437 59 L N 0.825 122.113 121.223 0.108 0.000 2.079 59 L HA -0.150 4.190 4.340 -0.000 0.000 0.210 59 L C 2.656 179.554 176.870 0.047 0.000 1.081 59 L CA 1.209 56.109 54.840 0.102 0.000 0.752 59 L CB -0.356 41.820 42.059 0.196 0.000 0.896 59 L HN 0.258 nan 8.230 nan 0.000 0.433 60 L N -0.745 120.515 121.223 0.062 0.000 2.044 60 L HA -0.169 4.171 4.340 -0.000 0.000 0.205 60 L C 2.527 179.391 176.870 -0.009 0.000 1.075 60 L CA 1.108 55.941 54.840 -0.011 0.000 0.747 60 L CB -0.374 41.692 42.059 0.012 0.000 0.903 60 L HN 0.237 nan 8.230 nan 0.000 0.435 61 E N -0.339 119.874 120.200 0.022 0.000 2.171 61 E HA -0.276 4.074 4.350 -0.000 0.000 0.197 61 E C 2.198 178.802 176.600 0.007 0.000 0.997 61 E CA 0.837 57.246 56.400 0.016 0.000 0.810 61 E CB -0.091 29.628 29.700 0.032 0.000 0.738 61 E HN 0.235 nan 8.360 nan 0.000 0.467 62 R N 0.466 120.971 120.500 0.008 0.000 2.161 62 R HA -0.042 4.298 4.340 -0.000 0.000 0.213 62 R C 0.287 176.579 176.300 -0.013 0.000 1.055 62 R CA 1.256 57.358 56.100 0.003 0.000 0.996 62 R CB 0.407 30.714 30.300 0.012 0.000 0.901 62 R HN 0.209 nan 8.270 nan 0.000 0.456 63 G N 0.049 108.830 108.800 -0.031 0.000 2.604 63 G HA2 0.114 4.073 3.960 -0.000 0.000 0.225 63 G HA3 0.114 4.073 3.960 -0.000 0.000 0.225 63 G C -0.949 173.899 174.900 -0.086 0.000 1.059 63 G CA -0.152 44.918 45.100 -0.050 0.000 1.203 63 G HN 0.471 nan 8.290 nan 0.000 0.630 64 A N 1.361 124.090 122.820 -0.152 0.000 2.359 64 A HA 0.717 5.037 4.320 -0.000 0.000 0.303 64 A C -0.110 177.249 177.584 -0.375 0.000 1.066 64 A CA -0.469 51.405 52.037 -0.272 0.000 0.730 64 A CB 1.454 20.236 19.000 -0.362 0.000 1.211 64 A HN 0.516 nan 8.150 nan 0.000 0.439 65 D N 2.597 122.831 120.400 -0.275 0.000 2.451 65 D HA -0.038 4.602 4.640 -0.000 0.000 0.254 65 D C 1.057 177.135 176.300 -0.369 0.000 1.204 65 D CA 0.291 54.176 54.000 -0.193 0.000 0.896 65 D CB 0.542 41.334 40.800 -0.014 0.000 1.136 65 D HN 0.549 nan 8.370 nan 0.000 0.499 66 I N 4.033 124.450 120.570 -0.255 0.000 2.394 66 I HA -0.211 3.959 4.170 -0.000 0.000 0.251 66 I C 0.913 177.118 176.117 0.147 0.000 1.136 66 I CA 0.638 61.857 61.300 -0.136 0.000 1.425 66 I CB 0.131 38.131 38.000 -0.000 0.000 1.079 66 I HN 0.288 nan 8.210 nan 0.000 0.425 67 N N 0.864 119.624 118.700 0.100 0.000 2.843 67 N HA -0.015 4.725 4.740 -0.000 0.000 0.284 67 N C -0.714 174.902 175.510 0.178 0.000 1.274 67 N CA 0.003 53.145 53.050 0.153 0.000 1.045 67 N CB -0.117 38.422 38.487 0.086 0.000 1.370 67 N HN 0.345 nan 8.380 nan 0.000 0.525 68 Y N 1.207 121.606 120.300 0.165 0.000 2.301 68 Y HA 0.474 5.024 4.550 -0.000 0.000 0.325 68 Y C -0.341 175.673 175.900 0.190 0.000 1.203 68 Y CA -0.750 57.447 58.100 0.162 0.000 1.255 68 Y CB 0.934 39.522 38.460 0.213 0.000 1.232 68 Y HN 0.176 nan 8.280 nan 0.000 0.501 69 A N 4.717 127.291 122.820 -0.410 0.000 2.520 69 A HA 0.439 4.759 4.320 -0.000 0.000 0.298 69 A C -1.028 176.394 177.584 -0.270 0.000 1.051 69 A CA -0.963 50.975 52.037 -0.165 0.000 0.690 69 A CB 0.735 19.674 19.000 -0.102 0.000 1.281 69 A HN 0.952 nan 8.150 nan 0.000 0.402 70 N N 0.390 119.064 118.700 -0.043 0.000 2.240 70 N HA 0.146 4.886 4.740 -0.000 0.000 0.250 70 N C 1.302 176.769 175.510 -0.071 0.000 1.316 70 N CA 0.454 53.499 53.050 -0.009 0.000 0.894 70 N CB -0.295 38.207 38.487 0.025 0.000 1.101 70 N HN 1.134 nan 8.380 nan 0.000 0.491 71 V N -4.019 115.873 119.914 -0.037 0.000 2.469 71 V HA -0.176 3.944 4.120 -0.000 0.000 0.251 71 V C 0.876 176.931 176.094 -0.065 0.000 1.064 71 V CA 2.046 64.320 62.300 -0.044 0.000 1.066 71 V CB -0.722 31.089 31.823 -0.020 0.000 0.667 71 V HN 0.559 nan 8.190 nan 0.000 0.461 72 D N 0.668 121.021 120.400 -0.077 0.000 2.340 72 D HA 0.223 4.863 4.640 -0.000 0.000 0.220 72 D C 1.851 178.068 176.300 -0.140 0.000 1.039 72 D CA 1.123 55.061 54.000 -0.104 0.000 0.866 72 D CB 0.582 41.312 40.800 -0.115 0.000 0.913 72 D HN 0.800 nan 8.370 nan 0.000 0.523 73 G N 0.970 109.687 108.800 -0.138 0.000 2.176 73 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.253 73 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.253 73 G C 0.368 175.127 174.900 -0.236 0.000 0.979 73 G CA -0.193 44.811 45.100 -0.159 0.000 0.641 73 G HN 0.328 nan 8.290 nan 0.000 0.530 74 L N 2.557 123.626 121.223 -0.257 0.000 2.462 74 L HA 0.381 4.720 4.340 -0.000 0.000 0.272 74 L C 1.618 178.473 176.870 -0.025 0.000 1.166 74 L CA 0.370 55.026 54.840 -0.307 0.000 0.880 74 L CB 0.375 42.337 42.059 -0.161 0.000 1.142 74 L HN 0.439 nan 8.230 nan 0.000 0.473 75 T N -0.264 114.411 114.554 0.202 0.000 2.810 75 T HA 0.359 4.709 4.350 -0.000 0.000 0.277 75 T C 1.204 176.049 174.700 0.242 0.000 0.973 75 T CA -0.197 62.070 62.100 0.277 0.000 0.949 75 T CB 1.419 70.497 68.868 0.351 0.000 1.075 75 T HN 0.592 nan 8.240 nan 0.000 0.537 76 A N -0.212 122.748 122.820 0.233 0.000 2.121 76 A HA 0.105 4.425 4.320 -0.000 0.000 0.218 76 A C 1.998 179.658 177.584 0.127 0.000 1.154 76 A CA 0.889 52.993 52.037 0.112 0.000 0.679 76 A CB -0.876 18.152 19.000 0.047 0.000 0.795 76 A HN 0.728 nan 8.150 nan 0.000 0.458 77 L N -1.490 119.834 121.223 0.168 0.000 2.130 77 L HA 0.117 4.457 4.340 -0.000 0.000 0.200 77 L C 2.096 179.038 176.870 0.121 0.000 1.075 77 L CA 1.990 56.903 54.840 0.121 0.000 0.768 77 L CB -0.920 41.186 42.059 0.077 0.000 0.933 77 L HN 0.477 nan 8.230 nan 0.000 0.451 78 H N -0.264 118.868 119.070 0.104 0.000 2.267 78 H HA -0.271 4.285 4.556 -0.000 0.000 0.291 78 H C 2.287 177.670 175.328 0.093 0.000 1.094 78 H CA 2.683 58.795 56.048 0.106 0.000 1.227 78 H CB -0.173 29.641 29.762 0.086 0.000 1.351 78 H HN 0.440 nan 8.280 nan 0.000 0.483 79 Q N -0.383 119.545 119.800 0.213 0.000 2.096 79 Q HA -0.190 4.150 4.340 -0.000 0.000 0.204 79 Q C 2.633 178.694 176.000 0.102 0.000 0.982 79 Q CA 1.279 57.154 55.803 0.121 0.000 0.850 79 Q CB -0.188 28.592 28.738 0.069 0.000 0.901 79 Q HN 0.562 nan 8.270 nan 0.000 0.422 80 A N 0.245 123.120 122.820 0.092 0.000 1.892 80 A HA -0.270 4.050 4.320 -0.000 0.000 0.218 80 A C 2.326 179.961 177.584 0.085 0.000 1.188 80 A CA 1.711 53.790 52.037 0.069 0.000 0.631 80 A CB -1.161 17.886 19.000 0.077 0.000 0.822 80 A HN 0.555 nan 8.150 nan 0.000 0.447 81 C N -0.644 118.734 119.300 0.131 0.000 2.432 81 C HA -0.072 4.388 4.460 -0.000 0.000 0.277 81 C C 2.499 177.668 174.990 0.298 0.000 1.249 81 C CA 0.892 60.025 59.018 0.192 0.000 1.725 81 C CB -1.404 26.450 27.740 0.190 0.000 2.028 81 C HN 0.639 nan 8.230 nan 0.000 0.477 82 I N 1.329 122.053 120.570 0.256 0.000 2.530 82 I HA -0.186 3.984 4.170 -0.000 0.000 0.257 82 I C 0.883 177.194 176.117 0.324 0.000 1.179 82 I CA 1.454 62.929 61.300 0.292 0.000 1.440 82 I CB -0.533 37.566 38.000 0.164 0.000 1.087 82 I HN 0.381 nan 8.210 nan 0.000 0.440 83 D N -0.123 120.365 120.400 0.147 0.000 2.402 83 D HA 0.030 4.670 4.640 -0.000 0.000 0.216 83 D C 0.453 176.630 176.300 -0.206 0.000 1.128 83 D CA 0.074 54.080 54.000 0.009 0.000 0.833 83 D CB -0.194 40.604 40.800 -0.003 0.000 0.971 83 D HN 0.135 nan 8.370 nan 0.000 0.503 84 D N 0.776 120.919 120.400 -0.428 0.000 2.782 84 D HA -0.253 4.387 4.640 -0.000 0.000 0.231 84 D C -0.219 175.903 176.300 -0.297 0.000 1.163 84 D CA 0.422 54.008 54.000 -0.690 0.000 0.680 84 D CB -0.899 39.143 40.800 -1.264 0.000 1.062 84 D HN 0.053 nan 8.370 nan 0.000 0.425 85 N N -0.133 118.475 118.700 -0.153 0.000 3.245 85 N HA 0.075 4.815 4.740 -0.000 0.000 0.296 85 N C 1.240 176.707 175.510 -0.072 0.000 1.254 85 N CA 0.139 53.131 53.050 -0.097 0.000 1.190 85 N CB 0.005 38.457 38.487 -0.058 0.000 1.460 85 N HN 0.123 nan 8.380 nan 0.000 0.538 86 V N 1.055 120.913 119.914 -0.094 0.000 2.223 86 V HA -0.402 3.718 4.120 -0.000 0.000 0.253 86 V C 1.757 177.792 176.094 -0.099 0.000 1.061 86 V CA 2.285 64.529 62.300 -0.093 0.000 1.035 86 V CB -0.577 31.182 31.823 -0.107 0.000 0.653 86 V HN 0.527 nan 8.190 nan 0.000 0.454 87 D N -0.510 119.834 120.400 -0.092 0.000 2.157 87 D HA -0.304 4.336 4.640 -0.000 0.000 0.191 87 D C 2.022 178.315 176.300 -0.012 0.000 1.004 87 D CA 2.312 56.268 54.000 -0.074 0.000 0.854 87 D CB -0.304 40.448 40.800 -0.080 0.000 0.936 87 D HN 0.470 nan 8.370 nan 0.000 0.446 88 M N 0.828 120.427 119.600 -0.002 0.000 2.132 88 M HA -0.103 4.377 4.480 -0.000 0.000 0.263 88 M C 2.163 178.551 176.300 0.146 0.000 1.065 88 M CA 1.025 56.375 55.300 0.083 0.000 1.122 88 M CB -0.384 32.237 32.600 0.035 0.000 1.365 88 M HN -0.155 nan 8.290 nan 0.000 0.411 89 V N 0.643 120.606 119.914 0.082 0.000 2.282 89 V HA -0.371 3.749 4.120 -0.000 0.000 0.249 89 V C 2.272 178.467 176.094 0.168 0.000 1.057 89 V CA 2.245 64.619 62.300 0.123 0.000 1.032 89 V CB -1.028 30.866 31.823 0.118 0.000 0.645 89 V HN 0.500 nan 8.190 nan 0.000 0.447 90 K N -0.889 119.533 120.400 0.038 0.000 2.057 90 K HA -0.147 4.173 4.320 -0.000 0.000 0.206 90 K C 2.126 178.819 176.600 0.156 0.000 1.050 90 K CA 1.665 57.966 56.287 0.024 0.000 0.935 90 K CB -0.401 31.924 32.500 -0.292 0.000 0.715 90 K HN 0.406 nan 8.250 nan 0.000 0.439 91 F N 2.324 122.281 119.950 0.011 0.000 2.065 91 F HA -0.259 4.268 4.527 -0.000 0.000 0.298 91 F C 1.906 177.749 175.800 0.071 0.000 1.112 91 F CA 1.354 59.375 58.000 0.034 0.000 1.212 91 F CB -0.263 38.747 39.000 0.018 0.000 0.975 91 F HN -0.094 nan 8.300 nan 0.000 0.476 92 L N -0.292 121.003 121.223 0.120 0.000 1.989 92 L HA -0.221 4.119 4.340 -0.000 0.000 0.211 92 L C 2.520 179.395 176.870 0.009 0.000 1.071 92 L CA 1.690 56.559 54.840 0.048 0.000 0.749 92 L CB -1.473 40.673 42.059 0.145 0.000 0.890 92 L HN 0.097 nan 8.230 nan 0.000 0.431 93 V N -0.178 119.784 119.914 0.081 0.000 2.358 93 V HA -0.237 3.882 4.120 -0.000 0.000 0.246 93 V C 2.289 178.398 176.094 0.026 0.000 1.047 93 V CA 1.430 63.773 62.300 0.071 0.000 1.035 93 V CB -0.537 31.378 31.823 0.153 0.000 0.658 93 V HN 0.472 nan 8.190 nan 0.000 0.452 94 E N 0.274 120.491 120.200 0.029 0.000 2.409 94 E HA -0.116 4.234 4.350 -0.000 0.000 0.198 94 E C 1.211 177.752 176.600 -0.098 0.000 1.024 94 E CA 0.570 56.965 56.400 -0.010 0.000 0.861 94 E CB -0.115 29.595 29.700 0.018 0.000 0.788 94 E HN 0.571 nan 8.360 nan 0.000 0.521 95 N N -0.583 118.010 118.700 -0.178 0.000 2.203 95 N HA 0.052 4.792 4.740 -0.000 0.000 0.207 95 N C 0.760 176.200 175.510 -0.116 0.000 1.130 95 N CA 0.701 53.621 53.050 -0.217 0.000 0.861 95 N CB 1.726 39.949 38.487 -0.441 0.000 1.005 95 N HN 0.266 nan 8.380 nan 0.000 0.507 96 G N 0.135 108.894 108.800 -0.068 0.000 2.205 96 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.180 96 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.180 96 G C 0.262 175.153 174.900 -0.015 0.000 1.004 96 G CA -0.115 44.962 45.100 -0.038 0.000 0.670 96 G HN 0.483 nan 8.290 nan 0.000 0.496 97 A N 0.488 123.308 122.820 -0.000 0.000 2.567 97 A HA 0.397 4.717 4.320 -0.000 0.000 0.240 97 A C 0.746 178.338 177.584 0.013 0.000 1.053 97 A CA 0.720 52.777 52.037 0.033 0.000 0.755 97 A CB 0.113 19.148 19.000 0.059 0.000 0.978 97 A HN 0.731 nan 8.150 nan 0.000 0.507 98 N N 2.276 120.989 118.700 0.021 0.000 2.416 98 N HA 0.093 4.833 4.740 -0.000 0.000 0.265 98 N C 0.670 176.167 175.510 -0.022 0.000 1.195 98 N CA -0.073 52.975 53.050 -0.002 0.000 0.943 98 N CB 0.225 38.722 38.487 0.017 0.000 1.115 98 N HN 0.521 nan 8.380 nan 0.000 0.481 99 I N 2.952 123.485 120.570 -0.063 0.000 2.830 99 I HA -0.122 4.048 4.170 -0.000 0.000 0.263 99 I C 0.967 177.012 176.117 -0.120 0.000 1.230 99 I CA 0.876 62.122 61.300 -0.091 0.000 1.480 99 I CB -0.165 37.760 38.000 -0.125 0.000 1.095 99 I HN 0.564 nan 8.210 nan 0.000 0.455 100 N N -0.190 118.433 118.700 -0.129 0.000 2.204 100 N HA 0.058 4.798 4.740 -0.000 0.000 0.219 100 N C 0.345 175.853 175.510 -0.004 0.000 1.151 100 N CA -0.261 52.719 53.050 -0.117 0.000 0.867 100 N CB 0.351 38.683 38.487 -0.257 0.000 1.043 100 N HN 0.183 nan 8.380 nan 0.000 0.516 101 Q N 2.422 122.236 119.800 0.023 0.000 2.262 101 Q HA 0.075 4.415 4.340 -0.000 0.000 0.298 101 Q C -2.517 173.620 176.000 0.228 0.000 1.083 101 Q CA -0.824 55.046 55.803 0.112 0.000 0.962 101 Q CB 0.614 29.435 28.738 0.138 0.000 1.104 101 Q HN 0.067 nan 8.270 nan 0.000 0.376 102 P HA 0.132 nan 4.420 nan 0.000 0.281 102 P C -1.277 176.141 177.300 0.197 0.000 1.249 102 P CA -0.580 62.663 63.100 0.237 0.000 0.810 102 P CB 0.834 32.617 31.700 0.139 0.000 1.008 103 D N 0.748 121.231 120.400 0.138 0.000 2.466 103 D HA 0.070 4.710 4.640 -0.000 0.000 0.262 103 D C 0.370 176.653 176.300 -0.030 0.000 1.177 103 D CA -0.330 53.599 54.000 -0.119 0.000 1.035 103 D CB 0.072 40.692 40.800 -0.301 0.000 1.105 103 D HN 0.058 nan 8.370 nan 0.000 0.551 104 N N -0.733 117.922 118.700 -0.076 0.000 2.666 104 N HA -0.084 4.656 4.740 -0.000 0.000 0.194 104 N C 0.236 175.740 175.510 -0.009 0.000 1.220 104 N CA 0.507 53.533 53.050 -0.040 0.000 0.928 104 N CB -0.079 38.369 38.487 -0.065 0.000 0.997 104 N HN 0.490 nan 8.380 nan 0.000 0.447 105 E N -1.120 119.097 120.200 0.029 0.000 2.714 105 E HA 0.269 4.619 4.350 -0.000 0.000 0.219 105 E C 0.641 177.357 176.600 0.194 0.000 0.979 105 E CA 0.010 56.471 56.400 0.101 0.000 1.092 105 E CB -0.057 29.691 29.700 0.081 0.000 1.049 105 E HN 0.146 nan 8.360 nan 0.000 0.487 106 G N 0.585 109.457 108.800 0.120 0.000 2.136 106 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.242 106 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.242 106 G C -0.490 174.357 174.900 -0.089 0.000 0.989 106 G CA 0.146 45.265 45.100 0.032 0.000 0.682 106 G HN 0.145 nan 8.290 nan 0.000 0.522 107 W N 1.251 122.427 121.300 -0.207 0.000 2.316 107 W HA 0.665 5.325 4.660 -0.000 0.000 0.308 107 W C 1.003 177.619 176.519 0.162 0.000 1.106 107 W CA -0.941 56.246 57.345 -0.264 0.000 1.262 107 W CB 0.354 29.766 29.460 -0.080 0.000 1.233 107 W HN 0.386 nan 8.180 nan 0.000 0.447 108 I N 2.228 123.068 120.570 0.451 0.000 2.664 108 I HA 0.480 4.649 4.170 -0.000 0.000 0.308 108 I C -1.687 174.548 176.117 0.196 0.000 0.984 108 I CA -2.711 58.783 61.300 0.324 0.000 1.213 108 I CB 1.231 39.364 38.000 0.222 0.000 1.379 108 I HN 0.138 nan 8.210 nan 0.000 0.501 109 P HA -0.230 nan 4.420 nan 0.000 0.218 109 P C 1.555 178.889 177.300 0.057 0.000 1.147 109 P CA 1.110 64.122 63.100 -0.148 0.000 0.827 109 P CB 0.042 31.611 31.700 -0.218 0.000 0.778 110 L N -1.709 119.543 121.223 0.048 0.000 2.109 110 L HA -0.138 4.202 4.340 -0.000 0.000 0.207 110 L C 2.064 178.939 176.870 0.008 0.000 1.086 110 L CA 1.951 56.795 54.840 0.007 0.000 0.760 110 L CB -1.327 40.691 42.059 -0.069 0.000 0.910 110 L HN 0.029 nan 8.230 nan 0.000 0.437 111 H N -0.610 118.481 119.070 0.035 0.000 2.293 111 H HA -0.066 4.490 4.556 -0.000 0.000 0.300 111 H C 2.211 177.670 175.328 0.219 0.000 1.082 111 H CA 1.877 57.903 56.048 -0.038 0.000 1.308 111 H CB -0.376 29.261 29.762 -0.209 0.000 1.375 111 H HN 0.480 nan 8.280 nan 0.000 0.495 112 A N 1.058 124.207 122.820 0.548 0.000 1.849 112 A HA -0.262 4.058 4.320 -0.000 0.000 0.217 112 A C 2.588 180.316 177.584 0.240 0.000 1.202 112 A CA 2.314 54.622 52.037 0.452 0.000 0.629 112 A CB -1.481 17.728 19.000 0.349 0.000 0.834 112 A HN 0.507 nan 8.150 nan 0.000 0.447 113 A N -0.503 122.426 122.820 0.182 0.000 1.917 113 A HA 0.069 4.389 4.320 -0.000 0.000 0.219 113 A C 2.546 180.157 177.584 0.045 0.000 1.182 113 A CA 2.706 54.823 52.037 0.132 0.000 0.633 113 A CB -1.219 17.875 19.000 0.156 0.000 0.819 113 A HN 1.257 nan 8.150 nan 0.000 0.448 114 A N -0.711 122.137 122.820 0.047 0.000 1.841 114 A HA -0.177 4.143 4.320 -0.000 0.000 0.216 114 A C 2.513 180.101 177.584 0.007 0.000 1.199 114 A CA 2.480 54.518 52.037 0.001 0.000 0.621 114 A CB -1.316 17.652 19.000 -0.053 0.000 0.835 114 A HN 0.738 nan 8.150 nan 0.000 0.445 115 S N -1.591 114.158 115.700 0.082 0.000 2.420 115 S HA -0.188 4.282 4.470 -0.000 0.000 0.237 115 S C 1.620 176.226 174.600 0.010 0.000 1.023 115 S CA 1.674 59.950 58.200 0.127 0.000 0.991 115 S CB -0.708 62.739 63.200 0.410 0.000 0.792 115 S HN 0.634 nan 8.310 nan 0.000 0.488 116 C N 0.014 119.241 119.300 -0.122 0.000 2.780 116 C HA 0.532 4.992 4.460 -0.000 0.000 0.267 116 C C 1.973 176.654 174.990 -0.514 0.000 1.266 116 C CA -0.168 58.605 59.018 -0.409 0.000 1.709 116 C CB -0.737 26.550 27.740 -0.755 0.000 1.975 116 C HN 0.785 nan 8.230 nan 0.000 0.582 117 G N -0.083 108.556 108.800 -0.268 0.000 2.159 117 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.256 117 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.256 117 G C 0.078 174.990 174.900 0.020 0.000 0.977 117 G CA -0.070 44.963 45.100 -0.111 0.000 0.652 117 G HN 0.692 nan 8.290 nan 0.000 0.531 118 Y N 0.566 120.897 120.300 0.052 0.000 3.028 118 Y HA 0.240 4.790 4.550 -0.000 0.000 0.381 118 Y C 2.241 178.168 175.900 0.046 0.000 1.139 118 Y CA -0.449 57.679 58.100 0.046 0.000 2.013 118 Y CB -0.064 38.427 38.460 0.052 0.000 2.146 118 Y HN 0.289 nan 8.280 nan 0.000 0.412 119 L N 1.668 122.993 121.223 0.168 0.000 2.054 119 L HA -0.359 3.981 4.340 -0.000 0.000 0.220 119 L C 2.007 178.941 176.870 0.107 0.000 1.081 119 L CA 2.627 57.532 54.840 0.108 0.000 0.780 119 L CB -0.714 41.391 42.059 0.077 0.000 0.893 119 L HN 0.596 nan 8.230 nan 0.000 0.438 120 D N -1.346 119.118 120.400 0.106 0.000 2.182 120 D HA -0.250 4.390 4.640 -0.000 0.000 0.201 120 D C 1.968 178.338 176.300 0.116 0.000 0.986 120 D CA 2.062 56.114 54.000 0.087 0.000 0.847 120 D CB -0.515 40.317 40.800 0.053 0.000 0.942 120 D HN 0.556 nan 8.370 nan 0.000 0.467 121 I N 0.448 121.102 120.570 0.140 0.000 2.339 121 I HA -0.063 4.107 4.170 -0.000 0.000 0.245 121 I C 2.639 178.860 176.117 0.175 0.000 1.096 121 I CA 0.784 62.189 61.300 0.176 0.000 1.408 121 I CB -0.400 37.711 38.000 0.184 0.000 1.092 121 I HN 0.118 nan 8.210 nan 0.000 0.423 122 A N 0.771 123.671 122.820 0.134 0.000 1.948 122 A HA -0.251 4.069 4.320 -0.000 0.000 0.220 122 A C 2.169 179.793 177.584 0.068 0.000 1.177 122 A CA 1.871 53.958 52.037 0.084 0.000 0.636 122 A CB -0.603 18.433 19.000 0.060 0.000 0.815 122 A HN 0.469 nan 8.150 nan 0.000 0.449 123 E N -1.839 118.414 120.200 0.089 0.000 2.047 123 E HA -0.190 4.160 4.350 -0.000 0.000 0.191 123 E C 1.940 178.597 176.600 0.096 0.000 0.987 123 E CA 1.381 57.828 56.400 0.077 0.000 0.799 123 E CB -0.335 29.415 29.700 0.083 0.000 0.752 123 E HN 0.771 nan 8.360 nan 0.000 0.449 124 Y N 1.753 122.066 120.300 0.022 0.000 2.114 124 Y HA -0.226 4.324 4.550 -0.000 0.000 0.284 124 Y C 1.966 177.874 175.900 0.014 0.000 1.143 124 Y CA 1.427 59.539 58.100 0.019 0.000 1.135 124 Y CB -0.374 38.100 38.460 0.024 0.000 0.980 124 Y HN -0.060 nan 8.280 nan 0.000 0.499 125 L N -0.353 120.828 121.223 -0.069 0.000 1.989 125 L HA -0.282 4.058 4.340 -0.000 0.000 0.211 125 L C 2.531 179.308 176.870 -0.156 0.000 1.071 125 L CA 1.861 56.607 54.840 -0.156 0.000 0.749 125 L CB -0.758 41.287 42.059 -0.024 0.000 0.890 125 L HN 0.253 nan 8.230 nan 0.000 0.431 126 I N -0.067 120.457 120.570 -0.076 0.000 2.315 126 I HA -0.330 3.840 4.170 -0.000 0.000 0.251 126 I C 2.725 178.797 176.117 -0.074 0.000 1.125 126 I CA 1.741 63.007 61.300 -0.057 0.000 1.392 126 I CB -0.302 37.681 38.000 -0.027 0.000 1.065 126 I HN 0.416 nan 8.210 nan 0.000 0.424 127 S N -0.271 115.367 115.700 -0.104 0.000 2.414 127 S HA -0.103 4.367 4.470 -0.000 0.000 0.227 127 S C 1.723 176.230 174.600 -0.154 0.000 1.022 127 S CA 0.385 58.524 58.200 -0.101 0.000 0.958 127 S CB -0.171 62.988 63.200 -0.069 0.000 0.797 127 S HN 0.372 nan 8.310 nan 0.000 0.493 128 Q N 1.139 120.770 119.800 -0.281 0.000 2.329 128 Q HA 0.271 4.611 4.340 -0.000 0.000 0.208 128 Q C 1.106 177.003 176.000 -0.173 0.000 0.934 128 Q CA 0.614 56.246 55.803 -0.284 0.000 0.951 128 Q CB -0.123 28.313 28.738 -0.504 0.000 1.017 128 Q HN 0.848 nan 8.270 nan 0.000 0.490 129 G N 0.077 108.808 108.800 -0.116 0.000 2.134 129 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.209 129 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.209 129 G C 0.311 175.172 174.900 -0.066 0.000 0.993 129 G CA -0.034 45.031 45.100 -0.058 0.000 0.669 129 G HN 0.565 nan 8.290 nan 0.000 0.519 130 A N 0.219 122.989 122.820 -0.084 0.000 2.483 130 A HA 0.506 4.826 4.320 -0.000 0.000 0.238 130 A C 0.344 177.969 177.584 0.069 0.000 1.070 130 A CA 0.131 52.118 52.037 -0.083 0.000 0.770 130 A CB 0.083 19.040 19.000 -0.070 0.000 1.008 130 A HN 0.528 nan 8.150 nan 0.000 0.497 131 H N 2.303 121.345 119.070 -0.047 0.000 2.820 131 H HA 0.208 4.764 4.556 -0.000 0.000 0.278 131 H C 1.034 176.319 175.328 -0.072 0.000 1.142 131 H CA -0.460 55.560 56.048 -0.046 0.000 1.346 131 H CB 1.014 30.762 29.762 -0.023 0.000 1.438 131 H HN 0.335 nan 8.280 nan 0.000 0.473 132 V N 3.137 123.069 119.914 0.029 0.000 3.141 132 V HA -0.034 4.086 4.120 -0.000 0.000 0.265 132 V C 1.769 177.816 176.094 -0.078 0.000 1.126 132 V CA 1.985 64.252 62.300 -0.055 0.000 1.141 132 V CB -0.227 31.565 31.823 -0.053 0.000 0.743 132 V HN 0.880 nan 8.190 nan 0.000 0.492 133 G N -0.693 108.076 108.800 -0.053 0.000 3.189 133 G HA2 0.381 4.341 3.960 -0.000 0.000 0.225 133 G HA3 0.381 4.341 3.960 -0.000 0.000 0.225 133 G C 0.582 175.465 174.900 -0.028 0.000 1.159 133 G CA 0.479 45.544 45.100 -0.058 0.000 0.763 133 G HN 0.639 nan 8.290 nan 0.000 0.549 134 A N 0.339 123.165 122.820 0.011 0.000 2.520 134 A HA 0.518 4.838 4.320 -0.000 0.000 0.245 134 A C -0.058 177.603 177.584 0.128 0.000 1.072 134 A CA 0.114 52.208 52.037 0.095 0.000 0.761 134 A CB 0.591 19.704 19.000 0.188 0.000 1.004 134 A HN 0.227 nan 8.150 nan 0.000 0.499 135 V N 3.852 123.820 119.914 0.090 0.000 2.547 135 V HA 0.368 4.488 4.120 -0.000 0.000 0.299 135 V C 0.151 176.237 176.094 -0.014 0.000 1.040 135 V CA -0.626 61.705 62.300 0.053 0.000 0.913 135 V CB 1.622 33.449 31.823 0.008 0.000 0.992 135 V HN 1.133 nan 8.190 nan 0.000 0.449 136 N N 1.885 120.519 118.700 -0.110 0.000 2.671 136 N HA 0.299 5.039 4.740 -0.000 0.000 0.303 136 N C 0.943 176.400 175.510 -0.089 0.000 1.277 136 N CA -0.356 52.581 53.050 -0.189 0.000 0.933 136 N CB 0.490 38.686 38.487 -0.484 0.000 1.190 136 N HN 0.288 nan 8.380 nan 0.000 0.600 137 S N -0.728 114.942 115.700 -0.049 0.000 2.389 137 S HA -0.163 4.307 4.470 -0.000 0.000 0.231 137 S C 0.903 175.450 174.600 -0.089 0.000 1.052 137 S CA 1.449 59.606 58.200 -0.071 0.000 1.053 137 S CB -0.437 62.735 63.200 -0.046 0.000 0.886 137 S HN 0.580 nan 8.310 nan 0.000 0.456 138 E N -0.082 120.095 120.200 -0.038 0.000 2.476 138 E HA 0.214 4.564 4.350 -0.000 0.000 0.191 138 E C 1.260 177.846 176.600 -0.024 0.000 1.064 138 E CA 0.426 56.811 56.400 -0.025 0.000 0.866 138 E CB -0.225 29.495 29.700 0.035 0.000 0.952 138 E HN 0.563 nan 8.360 nan 0.000 0.492 139 G N 1.915 110.695 108.800 -0.034 0.000 2.147 139 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.244 139 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.244 139 G C -0.255 174.631 174.900 -0.023 0.000 1.005 139 G CA 0.234 45.324 45.100 -0.016 0.000 0.713 139 G HN 0.187 nan 8.290 nan 0.000 0.515 140 D N 0.533 120.908 120.400 -0.043 0.000 2.181 140 D HA 0.612 5.252 4.640 -0.000 0.000 0.248 140 D C 0.861 177.164 176.300 0.004 0.000 1.020 140 D CA 0.648 54.620 54.000 -0.046 0.000 0.891 140 D CB 1.638 42.391 40.800 -0.079 0.000 1.187 140 D HN 0.358 nan 8.370 nan 0.000 0.443 141 T N -2.008 112.516 114.554 -0.050 0.000 2.950 141 T HA 0.381 4.731 4.350 -0.000 0.000 0.288 141 T C -2.048 172.464 174.700 -0.313 0.000 1.035 141 T CA -1.983 60.034 62.100 -0.138 0.000 1.028 141 T CB 1.931 70.725 68.868 -0.123 0.000 1.109 141 T HN -0.103 nan 8.240 nan 0.000 0.514 142 P HA -0.157 nan 4.420 nan 0.000 0.218 142 P C 1.673 178.843 177.300 -0.216 0.000 1.154 142 P CA 0.590 63.423 63.100 -0.445 0.000 0.872 142 P CB -0.059 31.401 31.700 -0.399 0.000 0.790 143 L N 0.071 121.194 121.223 -0.166 0.000 2.042 143 L HA -0.199 4.141 4.340 -0.000 0.000 0.210 143 L C 1.644 178.467 176.870 -0.079 0.000 1.076 143 L CA 2.060 56.840 54.840 -0.100 0.000 0.749 143 L CB -1.404 40.606 42.059 -0.082 0.000 0.893 143 L HN -0.055 nan 8.230 nan 0.000 0.432 144 D N -0.272 120.077 120.400 -0.086 0.000 2.178 144 D HA -0.136 4.504 4.640 -0.000 0.000 0.201 144 D C 2.003 178.274 176.300 -0.050 0.000 0.980 144 D CA 1.291 55.256 54.000 -0.058 0.000 0.842 144 D CB 0.093 40.860 40.800 -0.055 0.000 0.948 144 D HN 0.387 nan 8.370 nan 0.000 0.472 145 I N 0.861 121.385 120.570 -0.078 0.000 3.578 145 I HA 0.049 4.219 4.170 -0.000 0.000 0.295 145 I C 1.026 177.131 176.117 -0.019 0.000 1.280 145 I CA -0.071 61.201 61.300 -0.048 0.000 1.347 145 I CB -1.248 36.685 38.000 -0.112 0.000 1.051 145 I HN -0.235 nan 8.210 nan 0.000 0.460 146 A N 2.980 125.778 122.820 -0.037 0.000 2.444 146 A HA 0.151 4.471 4.320 -0.000 0.000 0.287 146 A C 1.057 178.636 177.584 -0.009 0.000 1.195 146 A CA -0.227 51.796 52.037 -0.023 0.000 0.858 146 A CB -0.486 18.494 19.000 -0.033 0.000 1.117 146 A HN 0.485 nan 8.150 nan 0.000 0.521 147 E N 1.985 122.185 120.200 0.000 0.000 2.496 147 E HA 0.236 4.586 4.350 -0.000 0.000 0.202 147 E C -1.061 175.541 176.600 0.003 0.000 1.021 147 E CA -0.171 56.232 56.400 0.005 0.000 1.015 147 E CB 0.111 29.820 29.700 0.015 0.000 1.102 147 E HN 0.650 nan 8.360 nan 0.000 0.452 148 E N 1.042 121.242 120.200 0.000 0.000 2.246 148 E HA 0.112 4.462 4.350 -0.000 0.000 0.266 148 E C 0.206 176.808 176.600 0.003 0.000 0.880 148 E CA -0.642 55.760 56.400 0.004 0.000 0.762 148 E CB 2.080 31.783 29.700 0.004 0.000 1.180 148 E HN -0.033 nan 8.360 nan 0.000 0.416 149 E N 2.646 122.850 120.200 0.005 0.000 2.035 149 E HA -0.346 4.004 4.350 -0.000 0.000 0.204 149 E C 1.663 178.266 176.600 0.005 0.000 1.025 149 E CA 1.999 58.401 56.400 0.004 0.000 0.835 149 E CB -0.071 29.633 29.700 0.006 0.000 0.764 149 E HN 0.635 nan 8.360 nan 0.000 0.457 150 A N 0.757 123.583 122.820 0.010 0.000 1.927 150 A HA -0.278 4.042 4.320 -0.000 0.000 0.220 150 A C 2.161 179.752 177.584 0.011 0.000 1.185 150 A CA 2.597 54.641 52.037 0.013 0.000 0.639 150 A CB -0.638 18.374 19.000 0.020 0.000 0.820 150 A HN 0.418 nan 8.150 nan 0.000 0.451 151 M N -0.118 119.487 119.600 0.009 0.000 2.064 151 M HA -0.104 4.376 4.480 -0.000 0.000 0.260 151 M C 1.841 178.137 176.300 -0.007 0.000 1.073 151 M CA 2.279 57.581 55.300 0.004 0.000 1.124 151 M CB -0.593 32.007 32.600 -0.000 0.000 1.326 151 M HN 0.528 nan 8.290 nan 0.000 0.410 152 E N -0.119 120.076 120.200 -0.009 0.000 2.086 152 E HA -0.254 4.096 4.350 -0.000 0.000 0.200 152 E C 1.884 178.476 176.600 -0.014 0.000 1.012 152 E CA 1.625 58.016 56.400 -0.015 0.000 0.812 152 E CB -0.445 29.248 29.700 -0.012 0.000 0.743 152 E HN 0.557 nan 8.360 nan 0.000 0.453 153 E N 0.973 121.168 120.200 -0.007 0.000 2.021 153 E HA -0.230 4.120 4.350 -0.000 0.000 0.200 153 E C 2.311 178.906 176.600 -0.008 0.000 1.015 153 E CA 0.888 57.285 56.400 -0.006 0.000 0.824 153 E CB -0.751 28.948 29.700 -0.001 0.000 0.762 153 E HN 0.186 nan 8.360 nan 0.000 0.454 154 L N 1.133 122.353 121.223 -0.004 0.000 2.021 154 L HA -0.206 4.134 4.340 -0.000 0.000 0.215 154 L C 2.337 179.199 176.870 -0.013 0.000 1.074 154 L CA 1.687 56.525 54.840 -0.004 0.000 0.760 154 L CB -0.656 41.406 42.059 0.004 0.000 0.889 154 L HN 0.091 nan 8.230 nan 0.000 0.433 155 L N -1.322 119.889 121.223 -0.021 0.000 2.072 155 L HA -0.157 4.183 4.340 -0.000 0.000 0.205 155 L C 2.642 179.492 176.870 -0.034 0.000 1.079 155 L CA 1.199 56.018 54.840 -0.035 0.000 0.752 155 L CB -0.685 41.344 42.059 -0.049 0.000 0.906 155 L HN 0.353 nan 8.230 nan 0.000 0.436 156 Q N 0.896 120.679 119.800 -0.028 0.000 2.030 156 Q HA -0.178 4.162 4.340 -0.000 0.000 0.204 156 Q C 1.808 177.794 176.000 -0.023 0.000 0.986 156 Q CA 1.745 57.532 55.803 -0.026 0.000 0.843 156 Q CB -0.188 28.538 28.738 -0.020 0.000 0.904 156 Q HN 0.386 nan 8.270 nan 0.000 0.420 157 N N 0.216 118.906 118.700 -0.018 0.000 2.571 157 N HA -0.101 4.639 4.740 -0.000 0.000 0.189 157 N C 0.849 176.349 175.510 -0.017 0.000 1.154 157 N CA 0.723 53.764 53.050 -0.015 0.000 0.907 157 N CB 0.186 38.667 38.487 -0.010 0.000 0.977 157 N HN 0.287 nan 8.380 nan 0.000 0.449 158 E N 0.214 120.402 120.200 -0.021 0.000 2.244 158 E HA 0.092 4.442 4.350 -0.000 0.000 0.196 158 E C 1.792 178.375 176.600 -0.029 0.000 0.939 158 E CA 0.202 56.589 56.400 -0.023 0.000 0.884 158 E CB 0.078 29.763 29.700 -0.025 0.000 0.850 158 E HN -0.070 nan 8.360 nan 0.000 0.481 159 V N 1.786 121.680 119.914 -0.034 0.000 2.379 159 V HA -0.171 3.949 4.120 -0.000 0.000 0.245 159 V C 1.835 177.909 176.094 -0.033 0.000 1.044 159 V CA 1.784 64.061 62.300 -0.038 0.000 1.036 159 V CB -0.547 31.250 31.823 -0.043 0.000 0.664 159 V HN 0.301 nan 8.190 nan 0.000 0.453 160 N N -0.085 118.598 118.700 -0.028 0.000 2.331 160 N HA -0.088 4.652 4.740 -0.000 0.000 0.180 160 N C 2.001 177.498 175.510 -0.022 0.000 1.019 160 N CA 0.780 53.815 53.050 -0.024 0.000 0.881 160 N CB -0.168 38.307 38.487 -0.021 0.000 0.972 160 N HN 0.411 nan 8.380 nan 0.000 0.435 161 R N 1.174 121.662 120.500 -0.021 0.000 2.090 161 R HA 0.006 4.346 4.340 -0.000 0.000 0.228 161 R C 1.359 177.647 176.300 -0.021 0.000 1.110 161 R CA 1.077 57.166 56.100 -0.018 0.000 0.973 161 R CB 0.150 30.441 30.300 -0.016 0.000 0.869 161 R HN 0.353 nan 8.270 nan 0.000 0.440 162 Q N -1.270 118.514 119.800 -0.025 0.000 2.392 162 Q HA 0.135 4.475 4.340 -0.000 0.000 0.203 162 Q C 0.560 176.540 176.000 -0.033 0.000 0.917 162 Q CA 0.436 56.221 55.803 -0.029 0.000 0.939 162 Q CB 0.936 29.654 28.738 -0.034 0.000 1.063 162 Q HN 0.488 nan 8.270 nan 0.000 0.516 163 G N 1.396 110.177 108.800 -0.032 0.000 2.272 163 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.280 163 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.280 163 G C -0.059 174.817 174.900 -0.039 0.000 1.067 163 G CA -0.070 45.011 45.100 -0.033 0.000 0.902 163 G HN 0.202 nan 8.290 nan 0.000 0.500 164 V N 0.751 120.639 119.914 -0.044 0.000 2.488 164 V HA 0.229 4.349 4.120 -0.000 0.000 0.277 164 V C 0.704 176.770 176.094 -0.047 0.000 1.046 164 V CA -0.534 61.735 62.300 -0.052 0.000 0.986 164 V CB 1.637 33.425 31.823 -0.058 0.000 0.989 164 V HN 0.417 nan 8.190 nan 0.000 0.475 165 D N 4.633 125.004 120.400 -0.048 0.000 2.359 165 D HA 0.183 4.823 4.640 -0.000 0.000 0.250 165 D C 1.019 177.292 176.300 -0.046 0.000 1.264 165 D CA 0.183 54.157 54.000 -0.044 0.000 0.911 165 D CB 0.784 41.557 40.800 -0.044 0.000 1.056 165 D HN 0.465 nan 8.370 nan 0.000 0.499 166 I N 2.686 123.230 120.570 -0.043 0.000 2.090 166 I HA -0.296 3.874 4.170 -0.000 0.000 0.236 166 I C 1.851 177.944 176.117 -0.040 0.000 1.064 166 I CA 0.999 62.273 61.300 -0.043 0.000 1.324 166 I CB 0.126 38.102 38.000 -0.041 0.000 1.044 166 I HN 0.320 nan 8.210 nan 0.000 0.399 167 E N 1.040 121.217 120.200 -0.038 0.000 2.130 167 E HA -0.233 4.117 4.350 -0.000 0.000 0.196 167 E C 2.129 178.702 176.600 -0.045 0.000 0.998 167 E CA 1.443 57.820 56.400 -0.038 0.000 0.806 167 E CB -0.491 29.187 29.700 -0.036 0.000 0.738 167 E HN 0.511 nan 8.360 nan 0.000 0.459 168 A N 1.085 123.878 122.820 -0.046 0.000 1.903 168 A HA -0.276 4.044 4.320 -0.000 0.000 0.219 168 A C 2.407 179.960 177.584 -0.052 0.000 1.191 168 A CA 2.596 54.603 52.037 -0.051 0.000 0.638 168 A CB -1.111 17.860 19.000 -0.049 0.000 0.823 168 A HN 0.330 nan 8.150 nan 0.000 0.451 169 A N -0.443 122.349 122.820 -0.047 0.000 1.902 169 A HA -0.159 4.161 4.320 -0.000 0.000 0.217 169 A C 2.221 179.783 177.584 -0.037 0.000 1.181 169 A CA 1.567 53.580 52.037 -0.041 0.000 0.623 169 A CB -0.476 18.502 19.000 -0.038 0.000 0.818 169 A HN 0.599 nan 8.150 nan 0.000 0.443 170 R N -0.087 120.392 120.500 -0.035 0.000 2.096 170 R HA -0.064 4.275 4.340 -0.000 0.000 0.235 170 R C 1.862 178.135 176.300 -0.044 0.000 1.127 170 R CA 1.412 57.496 56.100 -0.026 0.000 0.968 170 R CB -0.224 30.064 30.300 -0.022 0.000 0.861 170 R HN 0.422 nan 8.270 nan 0.000 0.440 171 K N 0.489 120.849 120.400 -0.067 0.000 2.305 171 K HA -0.086 4.234 4.320 -0.000 0.000 0.199 171 K C 1.772 178.299 176.600 -0.121 0.000 1.047 171 K CA 0.624 56.846 56.287 -0.109 0.000 0.976 171 K CB 0.124 32.565 32.500 -0.099 0.000 0.765 171 K HN 0.070 nan 8.250 nan 0.000 0.474 172 E N 2.339 122.488 120.200 -0.084 0.000 2.068 172 E HA -0.268 4.081 4.350 -0.000 0.000 0.207 172 E C 1.878 178.426 176.600 -0.087 0.000 1.032 172 E CA 1.961 58.315 56.400 -0.077 0.000 0.839 172 E CB -0.060 29.608 29.700 -0.054 0.000 0.758 172 E HN 0.347 nan 8.360 nan 0.000 0.457 173 E N 0.002 120.162 120.200 -0.067 0.000 2.005 173 E HA -0.328 4.022 4.350 -0.000 0.000 0.198 173 E C 2.182 178.713 176.600 -0.115 0.000 1.010 173 E CA 1.644 58.018 56.400 -0.043 0.000 0.825 173 E CB -0.362 29.362 29.700 0.040 0.000 0.769 173 E HN 0.450 nan 8.360 nan 0.000 0.456 174 E N 0.755 120.769 120.200 -0.309 0.000 2.086 174 E HA -0.333 4.017 4.350 -0.000 0.000 0.205 174 E C 2.326 178.725 176.600 -0.336 0.000 1.027 174 E CA 1.770 57.774 56.400 -0.660 0.000 0.830 174 E CB -0.287 28.704 29.700 -1.183 0.000 0.751 174 E HN 0.155 nan 8.360 nan 0.000 0.456 175 R N 0.569 120.916 120.500 -0.255 0.000 2.136 175 R HA -0.230 4.110 4.340 -0.000 0.000 0.242 175 R C 2.475 178.685 176.300 -0.150 0.000 1.131 175 R CA 2.405 58.399 56.100 -0.176 0.000 0.937 175 R CB -0.659 29.560 30.300 -0.135 0.000 0.863 175 R HN 0.387 nan 8.270 nan 0.000 0.435 176 I N 0.848 121.341 120.570 -0.128 0.000 2.151 176 I HA -0.365 3.804 4.170 -0.000 0.000 0.243 176 I C 2.693 178.721 176.117 -0.148 0.000 1.080 176 I CA 1.634 62.863 61.300 -0.119 0.000 1.339 176 I CB -0.352 37.597 38.000 -0.085 0.000 1.039 176 I HN 0.351 nan 8.210 nan 0.000 0.409 177 M N 0.019 119.546 119.600 -0.121 0.000 2.144 177 M HA -0.268 4.212 4.480 -0.000 0.000 0.260 177 M C 2.436 178.629 176.300 -0.178 0.000 1.067 177 M CA 1.861 57.092 55.300 -0.114 0.000 1.095 177 M CB -0.660 31.945 32.600 0.007 0.000 1.365 177 M HN 0.348 nan 8.290 nan 0.000 0.406 178 L N -0.434 120.692 121.223 -0.161 0.000 1.994 178 L HA -0.244 4.096 4.340 -0.000 0.000 0.208 178 L C 2.831 179.581 176.870 -0.201 0.000 1.071 178 L CA 1.448 56.196 54.840 -0.154 0.000 0.745 178 L CB -0.575 41.405 42.059 -0.132 0.000 0.892 178 L HN 0.340 nan 8.230 nan 0.000 0.431 179 R N 0.342 120.722 120.500 -0.201 0.000 2.115 179 R HA -0.250 4.090 4.340 -0.000 0.000 0.239 179 R C 1.818 177.915 176.300 -0.337 0.000 1.133 179 R CA 2.615 58.587 56.100 -0.212 0.000 0.935 179 R CB -0.383 29.813 30.300 -0.173 0.000 0.853 179 R HN 0.336 nan 8.270 nan 0.000 0.433 180 D N 0.177 120.289 120.400 -0.481 0.000 2.104 180 D HA -0.163 4.477 4.640 -0.000 0.000 0.194 180 D C 1.821 177.312 176.300 -1.349 0.000 0.994 180 D CA 1.831 55.255 54.000 -0.960 0.000 0.830 180 D CB -0.349 39.845 40.800 -1.010 0.000 0.959 180 D HN 0.467 nan 8.370 nan 0.000 0.452 181 A N 0.865 123.180 122.820 -0.842 0.000 1.908 181 A HA -0.224 4.096 4.320 -0.000 0.000 0.218 181 A C 2.129 179.585 177.584 -0.215 0.000 1.181 181 A CA 1.375 53.171 52.037 -0.403 0.000 0.627 181 A CB -0.299 18.617 19.000 -0.141 0.000 0.818 181 A HN 0.048 nan 8.150 nan 0.000 0.445 182 R N -0.379 119.987 120.500 -0.224 0.000 2.070 182 R HA -0.141 4.199 4.340 -0.000 0.000 0.233 182 R C 2.329 178.570 176.300 -0.098 0.000 1.137 182 R CA 1.762 57.791 56.100 -0.119 0.000 0.945 182 R CB -0.914 29.318 30.300 -0.114 0.000 0.845 182 R HN 0.767 nan 8.270 nan 0.000 0.430 183 Q N -0.624 119.063 119.800 -0.189 0.000 2.096 183 Q HA -0.188 4.152 4.340 -0.000 0.000 0.204 183 Q C 2.062 178.112 176.000 0.084 0.000 0.982 183 Q CA 1.516 57.261 55.803 -0.098 0.000 0.850 183 Q CB -0.157 28.479 28.738 -0.169 0.000 0.901 183 Q HN 0.392 nan 8.270 nan 0.000 0.422 184 W N 0.718 122.022 121.300 0.007 0.000 2.378 184 W HA -0.083 4.577 4.660 -0.000 0.000 0.313 184 W C 2.052 178.573 176.519 0.003 0.000 1.197 184 W CA 0.258 57.608 57.345 0.010 0.000 1.304 184 W CB -1.311 28.132 29.460 -0.028 0.000 1.148 184 W HN 0.187 nan 8.180 nan 0.000 0.494 185 L N 0.640 122.001 121.223 0.230 0.000 1.989 185 L HA -0.320 4.020 4.340 -0.000 0.000 0.211 185 L C 2.216 179.142 176.870 0.094 0.000 1.071 185 L CA 2.290 57.209 54.840 0.132 0.000 0.749 185 L CB -0.726 41.387 42.059 0.090 0.000 0.890 185 L HN -0.020 nan 8.230 nan 0.000 0.431 186 N N -0.215 118.528 118.700 0.072 0.000 2.006 186 N HA -0.246 4.494 4.740 -0.000 0.000 0.196 186 N C 2.089 177.637 175.510 0.063 0.000 1.070 186 N CA 2.393 55.473 53.050 0.050 0.000 0.859 186 N CB -0.364 38.138 38.487 0.026 0.000 1.060 186 N HN 0.511 nan 8.380 nan 0.000 0.424 187 S N -1.667 114.080 115.700 0.078 0.000 2.372 187 S HA -0.072 4.398 4.470 -0.000 0.000 0.227 187 S C 1.611 176.267 174.600 0.094 0.000 1.044 187 S CA 1.744 59.993 58.200 0.081 0.000 1.050 187 S CB -0.897 62.360 63.200 0.095 0.000 0.901 187 S HN 0.795 nan 8.310 nan 0.000 0.447 188 G N 0.286 109.159 108.800 0.122 0.000 2.143 188 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.175 188 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.175 188 G C -0.148 174.817 174.900 0.107 0.000 1.004 188 G CA 0.156 45.314 45.100 0.096 0.000 0.671 188 G HN 0.963 nan 8.290 nan 0.000 0.512 189 H N 0.659 119.745 119.070 0.026 0.000 2.800 189 H HA 0.547 5.103 4.556 -0.000 0.000 0.322 189 H C -0.108 175.144 175.328 -0.128 0.000 0.979 189 H CA -0.851 55.175 56.048 -0.037 0.000 1.277 189 H CB 0.465 30.220 29.762 -0.013 0.000 1.484 189 H HN 0.210 nan 8.280 nan 0.000 0.512 190 I N 4.899 125.213 120.570 -0.426 0.000 2.471 190 I HA -0.007 4.163 4.170 -0.000 0.000 0.286 190 I C 0.948 176.563 176.117 -0.838 0.000 1.079 190 I CA 0.312 61.128 61.300 -0.806 0.000 1.398 190 I CB 0.474 37.931 38.000 -0.903 0.000 1.403 190 I HN 0.607 nan 8.210 nan 0.000 0.530 191 N N 5.158 123.150 118.700 -1.180 0.000 2.757 191 N HA 0.094 4.834 4.740 -0.000 0.000 0.296 191 N C -0.895 174.301 175.510 -0.523 0.000 1.874 191 N CA -0.443 52.360 53.050 -0.412 0.000 0.885 191 N CB 0.358 38.933 38.487 0.147 0.000 1.242 191 N HN 0.530 nan 8.380 nan 0.000 0.488 192 D N 1.242 121.206 120.400 -0.727 0.000 2.347 192 D HA 0.103 4.743 4.640 -0.000 0.000 0.235 192 D C -0.149 176.109 176.300 -0.070 0.000 1.149 192 D CA -0.295 53.470 54.000 -0.392 0.000 0.850 192 D CB 1.465 42.008 40.800 -0.427 0.000 1.061 192 D HN 0.020 nan 8.370 nan 0.000 0.487 193 V N 5.967 125.918 119.914 0.062 0.000 2.229 193 V HA 0.116 4.236 4.120 -0.000 0.000 0.245 193 V C 1.082 177.232 176.094 0.093 0.000 1.243 193 V CA -0.498 61.849 62.300 0.078 0.000 1.176 193 V CB -0.610 31.276 31.823 0.106 0.000 1.323 193 V HN 0.486 nan 8.190 nan 0.000 0.499 194 R N 2.396 122.936 120.500 0.067 0.000 2.478 194 R HA -0.144 4.196 4.340 -0.000 0.000 0.281 194 R C 0.260 176.604 176.300 0.073 0.000 0.939 194 R CA -0.044 56.085 56.100 0.047 0.000 1.120 194 R CB 0.112 30.417 30.300 0.009 0.000 0.885 194 R HN 0.740 nan 8.270 nan 0.000 0.415 195 H N 3.993 123.015 119.070 -0.080 0.000 3.017 195 H HA 0.125 4.681 4.556 -0.000 0.000 0.276 195 H C 1.055 176.321 175.328 -0.102 0.000 1.062 195 H CA 0.470 56.471 56.048 -0.077 0.000 1.486 195 H CB 0.903 30.613 29.762 -0.087 0.000 1.507 195 H HN 0.747 nan 8.280 nan 0.000 0.508 196 A N 5.252 127.942 122.820 -0.215 0.000 2.016 196 A HA -0.382 3.938 4.320 -0.000 0.000 0.225 196 A C 2.169 179.630 177.584 -0.205 0.000 1.230 196 A CA 2.561 54.485 52.037 -0.188 0.000 0.678 196 A CB -0.503 18.402 19.000 -0.157 0.000 0.826 196 A HN 0.877 nan 8.150 nan 0.000 0.484 197 K N -1.020 119.140 120.400 -0.400 0.000 2.025 197 K HA 0.013 4.333 4.320 -0.000 0.000 0.211 197 K C 1.991 178.490 176.600 -0.169 0.000 1.029 197 K CA 1.253 57.402 56.287 -0.230 0.000 0.948 197 K CB -0.798 31.551 32.500 -0.252 0.000 0.768 197 K HN 0.387 nan 8.250 nan 0.000 0.446 198 S N 0.125 115.691 115.700 -0.223 0.000 2.469 198 S HA 0.039 4.509 4.470 -0.000 0.000 0.238 198 S C 1.632 175.923 174.600 -0.515 0.000 0.998 198 S CA 0.574 58.627 58.200 -0.246 0.000 0.957 198 S CB -0.832 62.243 63.200 -0.207 0.000 0.764 198 S HN 0.815 nan 8.310 nan 0.000 0.514 199 G N 0.797 109.103 108.800 -0.824 0.000 2.168 199 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.257 199 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.257 199 G C 0.355 174.756 174.900 -0.831 0.000 0.997 199 G CA 0.116 44.229 45.100 -1.646 0.000 0.708 199 G HN 1.072 nan 8.290 nan 0.000 0.520 200 G N -0.966 107.514 108.800 -0.533 0.000 2.547 200 G HA2 0.783 4.743 3.960 -0.000 0.000 0.291 200 G HA3 0.783 4.743 3.960 -0.000 0.000 0.291 200 G C 0.350 175.085 174.900 -0.275 0.000 1.211 200 G CA 0.743 45.511 45.100 -0.552 0.000 0.950 200 G HN 1.329 nan 8.290 nan 0.000 0.504 201 T N -3.593 110.882 114.554 -0.131 0.000 2.927 201 T HA 0.580 4.930 4.350 -0.000 0.000 0.286 201 T C 1.527 176.354 174.700 0.212 0.000 1.040 201 T CA 0.310 62.490 62.100 0.133 0.000 1.010 201 T CB 1.534 70.501 68.868 0.165 0.000 1.177 201 T HN 0.923 nan 8.240 nan 0.000 0.546 202 A N 0.141 123.120 122.820 0.264 0.000 2.024 202 A HA 0.032 4.352 4.320 -0.000 0.000 0.220 202 A C 2.109 179.830 177.584 0.228 0.000 1.164 202 A CA 1.137 53.343 52.037 0.282 0.000 0.643 202 A CB -1.028 18.248 19.000 0.461 0.000 0.806 202 A HN 0.680 nan 8.150 nan 0.000 0.451 203 L N -0.641 120.688 121.223 0.177 0.000 2.083 203 L HA -0.127 4.213 4.340 -0.000 0.000 0.209 203 L C 2.164 179.005 176.870 -0.048 0.000 1.083 203 L CA 2.146 56.993 54.840 0.013 0.000 0.752 203 L CB -1.108 40.803 42.059 -0.247 0.000 0.899 203 L HN 0.563 nan 8.230 nan 0.000 0.433 204 H N -2.261 116.800 119.070 -0.016 0.000 2.363 204 H HA -0.034 4.522 4.556 -0.000 0.000 0.301 204 H C 2.209 177.502 175.328 -0.059 0.000 1.074 204 H CA 1.510 57.552 56.048 -0.009 0.000 1.354 204 H CB -0.295 29.456 29.762 -0.017 0.000 1.397 204 H HN 0.101 nan 8.280 nan 0.000 0.516 205 V N 0.787 120.733 119.914 0.053 0.000 2.343 205 V HA -0.267 3.853 4.120 -0.000 0.000 0.247 205 V C 2.568 178.553 176.094 -0.181 0.000 1.051 205 V CA 1.613 63.860 62.300 -0.088 0.000 1.036 205 V CB -1.040 30.763 31.823 -0.033 0.000 0.654 205 V HN 0.577 nan 8.190 nan 0.000 0.451 206 A N 0.203 122.993 122.820 -0.050 0.000 1.865 206 A HA -0.158 4.162 4.320 -0.000 0.000 0.217 206 A C 2.451 179.959 177.584 -0.126 0.000 1.191 206 A CA 2.342 54.352 52.037 -0.043 0.000 0.623 206 A CB -0.922 18.130 19.000 0.086 0.000 0.826 206 A HN 0.570 nan 8.150 nan 0.000 0.444 207 A N -0.298 122.485 122.820 -0.060 0.000 1.877 207 A HA 0.167 4.487 4.320 -0.000 0.000 0.216 207 A C 2.526 180.093 177.584 -0.028 0.000 1.186 207 A CA 2.211 54.237 52.037 -0.019 0.000 0.620 207 A CB -1.085 17.928 19.000 0.022 0.000 0.822 207 A HN 1.121 nan 8.150 nan 0.000 0.443 208 A N -0.609 122.159 122.820 -0.086 0.000 1.933 208 A HA -0.113 4.207 4.320 -0.000 0.000 0.218 208 A C 1.951 179.320 177.584 -0.359 0.000 1.175 208 A CA 1.708 53.629 52.037 -0.194 0.000 0.628 208 A CB -0.234 18.411 19.000 -0.591 0.000 0.814 208 A HN 0.348 nan 8.150 nan 0.000 0.444 209 K N -1.305 118.786 120.400 -0.515 0.000 2.393 209 K HA 0.154 4.474 4.320 -0.000 0.000 0.193 209 K C 0.992 177.310 176.600 -0.471 0.000 1.026 209 K CA 0.699 56.582 56.287 -0.674 0.000 1.064 209 K CB -0.279 31.362 32.500 -1.431 0.000 0.833 209 K HN 0.793 nan 8.250 nan 0.000 0.521 210 G N 2.018 110.648 108.800 -0.284 0.000 2.272 210 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.280 210 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.280 210 G C -0.299 174.657 174.900 0.094 0.000 1.067 210 G CA -0.167 44.898 45.100 -0.058 0.000 0.902 210 G HN 0.478 nan 8.290 nan 0.000 0.500 211 Y N 0.947 121.246 120.300 -0.001 0.000 2.767 211 Y HA 0.175 4.725 4.550 -0.000 0.000 0.354 211 Y C 2.366 178.270 175.900 0.007 0.000 1.292 211 Y CA -0.353 57.745 58.100 -0.005 0.000 1.749 211 Y CB -0.007 38.445 38.460 -0.013 0.000 1.841 211 Y HN 0.294 nan 8.280 nan 0.000 0.454 212 T N -0.038 114.609 114.554 0.155 0.000 2.635 212 T HA -0.362 3.987 4.350 -0.000 0.000 0.265 212 T C 1.778 176.527 174.700 0.082 0.000 1.058 212 T CA 2.198 64.356 62.100 0.096 0.000 1.162 212 T CB -0.028 68.882 68.868 0.070 0.000 0.859 212 T HN 0.547 nan 8.240 nan 0.000 0.449 213 E N 0.674 120.913 120.200 0.066 0.000 2.038 213 E HA -0.108 4.242 4.350 -0.000 0.000 0.195 213 E C 2.177 178.805 176.600 0.048 0.000 1.000 213 E CA 1.274 57.697 56.400 0.038 0.000 0.803 213 E CB -0.703 28.999 29.700 0.004 0.000 0.750 213 E HN 0.303 nan 8.360 nan 0.000 0.448 214 V N 0.579 120.531 119.914 0.064 0.000 2.332 214 V HA -0.231 3.889 4.120 -0.000 0.000 0.248 214 V C 2.430 178.589 176.094 0.109 0.000 1.055 214 V CA 1.679 64.023 62.300 0.075 0.000 1.038 214 V CB -0.571 31.318 31.823 0.110 0.000 0.651 214 V HN 0.306 nan 8.190 nan 0.000 0.450 215 L N 0.123 121.418 121.223 0.119 0.000 1.961 215 L HA -0.192 4.148 4.340 -0.000 0.000 0.210 215 L C 2.492 179.420 176.870 0.098 0.000 1.072 215 L CA 2.100 57.005 54.840 0.109 0.000 0.749 215 L CB -0.738 41.373 42.059 0.087 0.000 0.889 215 L HN 0.186 nan 8.230 nan 0.000 0.432 216 K N -0.724 119.723 120.400 0.078 0.000 2.077 216 K HA -0.271 4.049 4.320 -0.000 0.000 0.213 216 K C 2.181 178.826 176.600 0.074 0.000 1.051 216 K CA 2.145 58.473 56.287 0.068 0.000 0.929 216 K CB -0.574 31.958 32.500 0.053 0.000 0.715 216 K HN 0.361 nan 8.250 nan 0.000 0.451 217 L N 1.001 122.267 121.223 0.072 0.000 2.141 217 L HA -0.167 4.173 4.340 -0.000 0.000 0.209 217 L C 2.126 179.064 176.870 0.114 0.000 1.094 217 L CA 0.829 55.712 54.840 0.071 0.000 0.763 217 L CB -0.006 42.078 42.059 0.042 0.000 0.908 217 L HN 0.231 nan 8.230 nan 0.000 0.437 218 L N -0.756 120.557 121.223 0.151 0.000 2.072 218 L HA -0.219 4.121 4.340 -0.000 0.000 0.205 218 L C 2.387 179.390 176.870 0.222 0.000 1.079 218 L CA 1.216 56.198 54.840 0.237 0.000 0.752 218 L CB -0.248 41.986 42.059 0.291 0.000 0.906 218 L HN 0.223 nan 8.230 nan 0.000 0.436 219 I N -0.563 120.104 120.570 0.161 0.000 2.226 219 I HA -0.329 3.841 4.170 -0.000 0.000 0.245 219 I C 2.335 178.522 176.117 0.116 0.000 1.100 219 I CA 1.280 62.660 61.300 0.134 0.000 1.374 219 I CB -0.315 37.739 38.000 0.091 0.000 1.057 219 I HN 0.324 nan 8.210 nan 0.000 0.413 220 Q N 0.424 120.284 119.800 0.100 0.000 2.508 220 Q HA -0.080 4.260 4.340 -0.000 0.000 0.214 220 Q C 1.885 177.936 176.000 0.085 0.000 0.979 220 Q CA 1.013 56.864 55.803 0.080 0.000 0.911 220 Q CB -0.088 28.690 28.738 0.067 0.000 0.969 220 Q HN 0.581 nan 8.270 nan 0.000 0.504 221 A N 0.446 123.331 122.820 0.110 0.000 2.308 221 A HA 0.106 4.426 4.320 -0.000 0.000 0.217 221 A C 0.121 177.748 177.584 0.071 0.000 1.216 221 A CA -0.275 51.819 52.037 0.094 0.000 0.864 221 A CB 0.120 19.196 19.000 0.126 0.000 0.902 221 A HN 0.304 nan 8.150 nan 0.000 0.499 222 R N -1.353 119.205 120.500 0.097 0.000 3.201 222 R HA -0.194 4.146 4.340 -0.000 0.000 0.254 222 R C -0.870 175.519 176.300 0.150 0.000 0.978 222 R CA 0.608 56.766 56.100 0.096 0.000 0.661 222 R CB -2.449 27.884 30.300 0.056 0.000 1.170 222 R HN 0.711 nan 8.270 nan 0.000 0.430 223 Y N 0.961 121.276 120.300 0.025 0.000 2.326 223 Y HA 0.069 4.619 4.550 -0.000 0.000 0.337 223 Y C 0.793 176.701 175.900 0.013 0.000 1.023 223 Y CA -1.155 56.952 58.100 0.012 0.000 1.143 223 Y CB 0.913 39.393 38.460 0.033 0.000 1.183 223 Y HN 0.144 nan 8.280 nan 0.000 0.485 224 D N 4.915 125.418 120.400 0.171 0.000 2.660 224 D HA -0.096 4.544 4.640 -0.000 0.000 0.253 224 D C 0.868 177.113 176.300 -0.091 0.000 1.256 224 D CA 0.515 54.525 54.000 0.016 0.000 0.914 224 D CB 0.881 41.689 40.800 0.013 0.000 1.137 224 D HN 0.456 nan 8.370 nan 0.000 0.542 225 V N 4.115 124.005 119.914 -0.040 0.000 2.867 225 V HA -0.182 3.938 4.120 -0.000 0.000 0.260 225 V C 1.378 177.427 176.094 -0.075 0.000 1.099 225 V CA 1.277 63.542 62.300 -0.060 0.000 1.122 225 V CB -0.466 31.351 31.823 -0.011 0.000 0.708 225 V HN 0.596 nan 8.190 nan 0.000 0.490 226 N N -0.060 118.609 118.700 -0.051 0.000 2.321 226 N HA 0.308 5.048 4.740 -0.000 0.000 0.242 226 N C 0.131 175.623 175.510 -0.029 0.000 1.141 226 N CA -0.017 53.012 53.050 -0.034 0.000 0.864 226 N CB 0.651 39.136 38.487 -0.005 0.000 1.100 226 N HN 0.404 nan 8.380 nan 0.000 0.510 227 I N 1.211 121.747 120.570 -0.057 0.000 2.634 227 I HA 0.010 4.180 4.170 -0.000 0.000 0.284 227 I C 0.563 176.755 176.117 0.125 0.000 1.124 227 I CA 0.391 61.696 61.300 0.010 0.000 1.417 227 I CB 0.574 38.549 38.000 -0.040 0.000 1.396 227 I HN -0.252 nan 8.210 nan 0.000 0.571 228 K N 4.520 124.995 120.400 0.124 0.000 2.207 228 K HA 0.285 4.605 4.320 -0.000 0.000 0.255 228 K C -0.838 175.820 176.600 0.096 0.000 0.941 228 K CA -0.889 55.488 56.287 0.150 0.000 0.825 228 K CB 1.533 34.081 32.500 0.081 0.000 1.119 228 K HN 0.544 nan 8.250 nan 0.000 0.430 229 D N 0.385 120.798 120.400 0.022 0.000 2.451 229 D HA -0.016 4.623 4.640 -0.000 0.000 0.259 229 D C 0.875 177.243 176.300 0.114 0.000 1.201 229 D CA -0.108 53.807 54.000 -0.142 0.000 1.028 229 D CB 0.183 40.749 40.800 -0.389 0.000 1.095 229 D HN 0.580 nan 8.370 nan 0.000 0.539 230 Y N -0.933 119.343 120.300 -0.040 0.000 2.365 230 Y HA -0.185 4.365 4.550 -0.000 0.000 0.287 230 Y C 1.435 177.358 175.900 0.038 0.000 1.162 230 Y CA 0.665 58.761 58.100 -0.007 0.000 1.260 230 Y CB 0.043 38.486 38.460 -0.028 0.000 0.976 230 Y HN 0.307 nan 8.280 nan 0.000 0.548 231 D N -0.892 119.639 120.400 0.220 0.000 2.348 231 D HA 0.055 4.695 4.640 -0.000 0.000 0.211 231 D C 1.518 178.044 176.300 0.376 0.000 0.998 231 D CA 1.090 55.257 54.000 0.277 0.000 0.873 231 D CB 0.322 41.265 40.800 0.238 0.000 0.925 231 D HN 0.440 nan 8.370 nan 0.000 0.524 232 G N 1.180 110.159 108.800 0.299 0.000 2.204 232 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.244 232 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.244 232 G C -0.540 174.434 174.900 0.124 0.000 1.062 232 G CA -0.393 44.818 45.100 0.185 0.000 0.798 232 G HN 0.065 nan 8.290 nan 0.000 0.496 233 W N -0.171 121.082 121.300 -0.079 0.000 2.516 233 W HA 0.724 5.384 4.660 -0.000 0.000 0.343 233 W C 0.681 177.139 176.519 -0.103 0.000 1.094 233 W CA -0.429 56.814 57.345 -0.171 0.000 1.250 233 W CB 1.435 30.953 29.460 0.097 0.000 1.308 233 W HN 0.103 nan 8.180 nan 0.000 0.588 234 T N 3.071 117.558 114.554 -0.113 0.000 2.929 234 T HA 0.209 4.558 4.350 -0.000 0.000 0.284 234 T C -1.884 172.844 174.700 0.047 0.000 1.014 234 T CA -1.319 60.778 62.100 -0.005 0.000 1.051 234 T CB 1.595 70.438 68.868 -0.040 0.000 1.028 234 T HN 0.053 nan 8.240 nan 0.000 0.485 235 P HA -0.013 nan 4.420 nan 0.000 0.234 235 P C 0.951 178.249 177.300 -0.005 0.000 1.162 235 P CA 0.356 63.276 63.100 -0.299 0.000 0.759 235 P CB 0.168 31.647 31.700 -0.368 0.000 0.813 236 L N -2.219 119.054 121.223 0.083 0.000 2.316 236 L HA 0.090 4.430 4.340 -0.000 0.000 0.207 236 L C 1.957 178.946 176.870 0.197 0.000 1.070 236 L CA 1.603 56.511 54.840 0.112 0.000 0.820 236 L CB -0.941 41.168 42.059 0.084 0.000 0.992 236 L HN -0.089 nan 8.230 nan 0.000 0.466 237 H N -0.359 118.777 119.070 0.110 0.000 2.422 237 H HA -0.028 4.528 4.556 -0.000 0.000 0.298 237 H C 2.068 177.633 175.328 0.396 0.000 1.098 237 H CA 1.449 57.573 56.048 0.127 0.000 1.315 237 H CB -0.163 29.653 29.762 0.090 0.000 1.382 237 H HN 0.490 nan 8.280 nan 0.000 0.523 238 A N 0.222 123.411 122.820 0.615 0.000 1.850 238 A HA 0.164 4.484 4.320 -0.000 0.000 0.212 238 A C 2.536 180.445 177.584 0.542 0.000 1.208 238 A CA 1.046 53.499 52.037 0.694 0.000 0.609 238 A CB -1.095 18.307 19.000 0.669 0.000 0.860 238 A HN 0.406 nan 8.150 nan 0.000 0.448 239 A N -0.084 122.930 122.820 0.323 0.000 1.997 239 A HA 0.035 4.355 4.320 -0.000 0.000 0.221 239 A C 2.364 180.061 177.584 0.189 0.000 1.172 239 A CA 2.487 54.653 52.037 0.215 0.000 0.645 239 A CB -0.842 18.227 19.000 0.116 0.000 0.813 239 A HN 1.028 nan 8.150 nan 0.000 0.454 240 A N -1.747 121.163 122.820 0.150 0.000 1.861 240 A HA -0.032 4.288 4.320 -0.000 0.000 0.212 240 A C 2.100 179.726 177.584 0.070 0.000 1.199 240 A CA 1.363 53.430 52.037 0.049 0.000 0.613 240 A CB -0.935 18.018 19.000 -0.078 0.000 0.846 240 A HN 0.665 nan 8.150 nan 0.000 0.446 241 H N -0.798 118.258 119.070 -0.023 0.000 2.252 241 H HA -0.207 4.349 4.556 -0.000 0.000 0.292 241 H C 1.396 176.606 175.328 -0.198 0.000 1.082 241 H CA 2.120 58.059 56.048 -0.181 0.000 1.229 241 H CB -0.427 29.143 29.762 -0.320 0.000 1.353 241 H HN 0.642 nan 8.280 nan 0.000 0.488 242 W N 1.021 122.544 121.300 0.373 0.000 3.204 242 W HA 0.175 4.835 4.660 -0.000 0.000 0.249 242 W C 0.986 177.565 176.519 0.101 0.000 1.322 242 W CA 0.840 58.319 57.345 0.224 0.000 1.593 242 W CB -0.707 28.826 29.460 0.122 0.000 1.122 242 W HN 0.557 nan 8.180 nan 0.000 0.710 243 G N 2.375 111.302 108.800 0.211 0.000 2.338 243 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.296 243 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.296 243 G C 0.191 175.150 174.900 0.099 0.000 1.040 243 G CA -0.093 45.074 45.100 0.112 0.000 1.004 243 G HN -0.004 nan 8.290 nan 0.000 0.509 244 K N 0.529 121.000 120.400 0.118 0.000 2.229 244 K HA 0.238 4.557 4.320 -0.000 0.000 0.247 244 K C 1.287 177.918 176.600 0.052 0.000 1.117 244 K CA -0.254 56.078 56.287 0.076 0.000 1.036 244 K CB 0.842 33.389 32.500 0.078 0.000 1.654 244 K HN 0.713 nan 8.250 nan 0.000 0.405 245 E N 2.087 122.289 120.200 0.004 0.000 2.063 245 E HA -0.276 4.074 4.350 -0.000 0.000 0.221 245 E C 0.739 177.372 176.600 0.055 0.000 1.052 245 E CA 1.762 58.142 56.400 -0.034 0.000 0.891 245 E CB 0.338 29.896 29.700 -0.236 0.000 0.792 245 E HN 0.356 nan 8.360 nan 0.000 0.482 246 E N -0.270 119.945 120.200 0.025 0.000 2.273 246 E HA -0.214 4.136 4.350 -0.000 0.000 0.198 246 E C 1.719 178.363 176.600 0.074 0.000 1.002 246 E CA 0.956 57.393 56.400 0.062 0.000 0.828 246 E CB -0.326 29.397 29.700 0.039 0.000 0.747 246 E HN 0.407 nan 8.360 nan 0.000 0.491 247 A N 0.458 123.317 122.820 0.066 0.000 1.930 247 A HA -0.149 4.171 4.320 -0.000 0.000 0.217 247 A C 2.570 180.193 177.584 0.065 0.000 1.175 247 A CA 1.162 53.236 52.037 0.062 0.000 0.627 247 A CB -0.688 18.346 19.000 0.056 0.000 0.815 247 A HN 0.354 nan 8.150 nan 0.000 0.443 248 C N -1.216 118.133 119.300 0.081 0.000 2.446 248 C HA -0.023 4.437 4.460 -0.000 0.000 0.277 248 C C 2.753 177.781 174.990 0.063 0.000 1.275 248 C CA 1.031 60.089 59.018 0.066 0.000 1.727 248 C CB -1.224 26.564 27.740 0.080 0.000 2.010 248 C HN 0.723 nan 8.230 nan 0.000 0.486 249 R N 1.024 121.591 120.500 0.111 0.000 2.094 249 R HA -0.158 4.182 4.340 -0.000 0.000 0.239 249 R C 2.023 178.355 176.300 0.054 0.000 1.137 249 R CA 1.908 58.060 56.100 0.087 0.000 0.943 249 R CB -0.410 29.970 30.300 0.132 0.000 0.850 249 R HN 0.508 nan 8.270 nan 0.000 0.433 250 I N 0.969 121.574 120.570 0.058 0.000 2.163 250 I HA -0.344 3.826 4.170 -0.000 0.000 0.243 250 I C 2.347 178.487 176.117 0.038 0.000 1.085 250 I CA 1.398 62.727 61.300 0.048 0.000 1.347 250 I CB -0.365 37.666 38.000 0.052 0.000 1.044 250 I HN 0.272 nan 8.210 nan 0.000 0.408 251 L N -0.025 121.218 121.223 0.033 0.000 2.079 251 L HA -0.210 4.130 4.340 -0.000 0.000 0.210 251 L C 2.516 179.398 176.870 0.021 0.000 1.081 251 L CA 1.038 55.891 54.840 0.022 0.000 0.752 251 L CB -0.584 41.484 42.059 0.015 0.000 0.896 251 L HN 0.121 nan 8.230 nan 0.000 0.433 252 V N -0.586 119.339 119.914 0.018 0.000 2.346 252 V HA -0.202 3.918 4.120 -0.000 0.000 0.244 252 V C 2.185 178.293 176.094 0.022 0.000 1.037 252 V CA 1.415 63.723 62.300 0.015 0.000 1.029 252 V CB -0.427 31.392 31.823 -0.007 0.000 0.663 252 V HN 0.414 nan 8.190 nan 0.000 0.454 253 E N 0.420 120.635 120.200 0.024 0.000 2.393 253 E HA -0.204 4.146 4.350 -0.000 0.000 0.201 253 E C 0.897 177.517 176.600 0.034 0.000 1.025 253 E CA 1.071 57.487 56.400 0.028 0.000 0.856 253 E CB -0.270 29.448 29.700 0.031 0.000 0.771 253 E HN 0.699 nan 8.360 nan 0.000 0.526 254 N N 0.041 118.762 118.700 0.034 0.000 2.328 254 N HA 0.187 4.927 4.740 -0.000 0.000 0.247 254 N C -0.640 174.892 175.510 0.037 0.000 1.165 254 N CA -0.132 52.940 53.050 0.037 0.000 0.873 254 N CB 0.561 39.071 38.487 0.038 0.000 1.125 254 N HN -0.021 nan 8.380 nan 0.000 0.513 255 L N 0.391 121.638 121.223 0.041 0.000 3.717 255 L HA -0.217 4.123 4.340 -0.000 0.000 0.414 255 L C 0.209 177.104 176.870 0.042 0.000 1.228 255 L CA -0.208 54.660 54.840 0.047 0.000 0.918 255 L CB -2.671 39.417 42.059 0.048 0.000 1.865 255 L HN 0.467 nan 8.230 nan 0.000 0.922 256 C N -1.535 117.787 119.300 0.037 0.000 2.648 256 C HA 0.218 4.678 4.460 -0.000 0.000 0.415 256 C C 1.256 176.275 174.990 0.048 0.000 1.366 256 C CA -0.744 58.294 59.018 0.033 0.000 1.756 256 C CB 0.530 28.285 27.740 0.024 0.000 2.549 256 C HN 0.474 nan 8.230 nan 0.000 0.597 257 D N 4.238 124.666 120.400 0.046 0.000 2.389 257 D HA -0.036 4.604 4.640 -0.000 0.000 0.278 257 D C 1.179 177.531 176.300 0.087 0.000 1.398 257 D CA 0.413 54.449 54.000 0.059 0.000 1.090 257 D CB 0.307 41.134 40.800 0.044 0.000 1.108 257 D HN 0.723 nan 8.370 nan 0.000 0.532 258 M N 2.084 121.752 119.600 0.113 0.000 2.374 258 M HA -0.130 4.350 4.480 -0.000 0.000 0.264 258 M C 1.122 177.550 176.300 0.214 0.000 1.067 258 M CA 1.050 56.460 55.300 0.184 0.000 1.103 258 M CB 0.032 32.790 32.600 0.264 0.000 1.402 258 M HN 0.334 nan 8.290 nan 0.000 0.444 259 E N 0.625 120.904 120.200 0.132 0.000 2.463 259 E HA 0.188 4.538 4.350 -0.000 0.000 0.191 259 E C 0.465 177.121 176.600 0.094 0.000 1.083 259 E CA -0.475 55.980 56.400 0.091 0.000 0.872 259 E CB 0.024 29.750 29.700 0.043 0.000 0.966 259 E HN 0.339 nan 8.360 nan 0.000 0.491 260 A N 1.446 124.340 122.820 0.124 0.000 2.520 260 A HA 0.212 4.532 4.320 -0.000 0.000 0.235 260 A C 0.419 178.092 177.584 0.149 0.000 1.065 260 A CA -0.236 51.865 52.037 0.106 0.000 0.764 260 A CB 0.256 19.306 19.000 0.084 0.000 1.002 260 A HN 0.146 nan 8.150 nan 0.000 0.502 261 V N 1.030 120.985 119.914 0.068 0.000 2.769 261 V HA 0.522 4.642 4.120 -0.000 0.000 0.312 261 V C -0.013 176.097 176.094 0.025 0.000 1.061 261 V CA -1.026 61.317 62.300 0.072 0.000 0.931 261 V CB 1.420 33.263 31.823 0.033 0.000 1.010 261 V HN 0.978 nan 8.190 nan 0.000 0.433 262 N N 2.277 121.015 118.700 0.064 0.000 2.508 262 N HA 0.199 4.939 4.740 -0.000 0.000 0.264 262 N C 0.878 176.395 175.510 0.012 0.000 1.216 262 N CA -0.464 52.573 53.050 -0.021 0.000 0.943 262 N CB 0.925 39.368 38.487 -0.073 0.000 1.113 262 N HN 0.794 nan 8.380 nan 0.000 0.447 263 K N 0.982 121.411 120.400 0.049 0.000 2.360 263 K HA -0.111 4.209 4.320 -0.000 0.000 0.201 263 K C 1.376 178.008 176.600 0.054 0.000 1.046 263 K CA 0.955 57.279 56.287 0.062 0.000 0.940 263 K CB 0.034 32.592 32.500 0.097 0.000 0.748 263 K HN 0.553 nan 8.250 nan 0.000 0.465 264 V N -4.139 115.807 119.914 0.054 0.000 3.621 264 V HA 0.352 4.471 4.120 -0.000 0.000 0.285 264 V C 0.575 176.680 176.094 0.019 0.000 1.346 264 V CA 0.256 62.582 62.300 0.043 0.000 1.104 264 V CB 0.255 32.114 31.823 0.060 0.000 0.913 264 V HN 0.229 nan 8.190 nan 0.000 0.432 265 G N 0.368 109.175 108.800 0.011 0.000 2.467 265 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.242 265 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.242 265 G C -0.389 174.501 174.900 -0.016 0.000 1.127 265 G CA 0.147 45.248 45.100 0.001 0.000 0.924 265 G HN 0.693 nan 8.290 nan 0.000 0.499 266 Q N -0.398 119.387 119.800 -0.025 0.000 2.433 266 Q HA 0.717 5.057 4.340 -0.000 0.000 0.279 266 Q C -0.004 175.963 176.000 -0.056 0.000 1.105 266 Q CA -0.777 54.980 55.803 -0.077 0.000 0.815 266 Q CB 2.052 30.686 28.738 -0.173 0.000 1.403 266 Q HN 0.265 nan 8.270 nan 0.000 0.435 267 T N 0.074 114.558 114.554 -0.116 0.000 2.897 267 T HA 0.319 4.669 4.350 -0.000 0.000 0.278 267 T C 1.056 175.515 174.700 -0.402 0.000 0.981 267 T CA 0.007 62.062 62.100 -0.076 0.000 0.973 267 T CB 1.125 70.026 68.868 0.055 0.000 1.092 267 T HN 0.739 nan 8.240 nan 0.000 0.543 268 A N 0.070 122.725 122.820 -0.274 0.000 1.972 268 A HA 0.023 4.343 4.320 -0.000 0.000 0.219 268 A C 1.741 179.123 177.584 -0.336 0.000 1.169 268 A CA 1.479 53.230 52.037 -0.477 0.000 0.635 268 A CB -0.886 18.009 19.000 -0.175 0.000 0.810 268 A HN 0.714 nan 8.150 nan 0.000 0.446 269 F N 0.363 120.180 119.950 -0.221 0.000 2.206 269 F HA -0.066 4.461 4.527 -0.000 0.000 0.298 269 F C 2.135 177.823 175.800 -0.188 0.000 1.090 269 F CA 0.915 58.821 58.000 -0.157 0.000 1.323 269 F CB -0.396 38.540 39.000 -0.106 0.000 1.028 269 F HN 0.188 nan 8.300 nan 0.000 0.492 270 D N 0.059 120.442 120.400 -0.029 0.000 2.088 270 D HA -0.170 4.470 4.640 -0.000 0.000 0.196 270 D C 2.277 178.463 176.300 -0.190 0.000 0.983 270 D CA 1.560 55.493 54.000 -0.111 0.000 0.846 270 D CB -0.760 39.959 40.800 -0.133 0.000 0.992 270 D HN 0.096 nan 8.370 nan 0.000 0.448 271 V N 1.175 120.898 119.914 -0.319 0.000 3.444 271 V HA -0.012 4.107 4.120 -0.000 0.000 0.271 271 V C 1.497 177.404 176.094 -0.312 0.000 1.188 271 V CA 0.932 63.041 62.300 -0.318 0.000 1.168 271 V CB -0.677 30.845 31.823 -0.501 0.000 0.810 271 V HN 0.207 nan 8.190 nan 0.000 0.500 272 A N -0.472 122.182 122.820 -0.277 0.000 2.223 272 A HA -0.018 4.302 4.320 -0.000 0.000 0.222 272 A C 1.533 178.967 177.584 -0.249 0.000 1.317 272 A CA 0.598 52.495 52.037 -0.234 0.000 0.985 272 A CB -0.676 18.208 19.000 -0.193 0.000 0.858 272 A HN 0.626 nan 8.150 nan 0.000 0.496 273 D N 0.684 120.893 120.400 -0.318 0.000 2.664 273 D HA -0.208 4.432 4.640 -0.000 0.000 0.195 273 D C 0.356 176.527 176.300 -0.215 0.000 1.063 273 D CA 1.456 55.294 54.000 -0.270 0.000 0.935 273 D CB 0.065 40.660 40.800 -0.341 0.000 0.877 273 D HN 0.724 nan 8.370 nan 0.000 0.464 274 E N 0.700 120.756 120.200 -0.239 0.000 2.227 274 E HA 0.038 4.388 4.350 -0.000 0.000 0.282 274 E C 0.657 177.214 176.600 -0.071 0.000 1.015 274 E CA -0.667 55.652 56.400 -0.135 0.000 0.823 274 E CB 1.194 30.822 29.700 -0.120 0.000 1.081 274 E HN -0.045 nan 8.360 nan 0.000 0.396 275 D N 2.395 122.769 120.400 -0.044 0.000 2.913 275 D HA -0.359 4.281 4.640 -0.000 0.000 0.555 275 D C 1.686 177.980 176.300 -0.009 0.000 0.581 275 D CA 1.905 55.892 54.000 -0.021 0.000 1.517 275 D CB -0.588 40.204 40.800 -0.012 0.000 0.270 275 D HN 0.465 nan 8.370 nan 0.000 0.245 276 I N 0.923 121.491 120.570 -0.005 0.000 2.271 276 I HA -0.335 3.835 4.170 -0.000 0.000 0.252 276 I C 2.731 178.882 176.117 0.057 0.000 1.043 276 I CA 1.338 62.650 61.300 0.021 0.000 1.337 276 I CB -1.394 36.614 38.000 0.013 0.000 1.024 276 I HN 0.305 nan 8.210 nan 0.000 0.437 277 L N 0.970 122.205 121.223 0.020 0.000 2.425 277 L HA -0.334 4.006 4.340 -0.000 0.000 0.231 277 L C 2.340 179.263 176.870 0.088 0.000 1.140 277 L CA 2.870 57.729 54.840 0.032 0.000 0.856 277 L CB -1.468 40.607 42.059 0.028 0.000 0.960 277 L HN 0.372 nan 8.230 nan 0.000 0.446 278 G N -3.133 105.724 108.800 0.094 0.000 2.422 278 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.218 278 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.218 278 G C 1.379 176.356 174.900 0.128 0.000 1.140 278 G CA 0.780 45.945 45.100 0.107 0.000 0.775 278 G HN 0.622 nan 8.290 nan 0.000 0.545 279 Y N 1.435 121.741 120.300 0.010 0.000 2.128 279 Y HA -0.144 4.406 4.550 -0.000 0.000 0.284 279 Y C 2.568 178.467 175.900 -0.000 0.000 1.154 279 Y CA 1.452 59.553 58.100 0.002 0.000 1.149 279 Y CB -0.347 38.105 38.460 -0.013 0.000 0.976 279 Y HN 0.131 nan 8.280 nan 0.000 0.505 280 L N 0.117 121.304 121.223 -0.060 0.000 2.013 280 L HA -0.288 4.052 4.340 -0.000 0.000 0.212 280 L C 2.563 179.407 176.870 -0.043 0.000 1.073 280 L CA 2.117 56.830 54.840 -0.212 0.000 0.753 280 L CB -0.842 40.937 42.059 -0.466 0.000 0.890 280 L HN 0.292 nan 8.230 nan 0.000 0.432 281 E N 0.112 120.419 120.200 0.178 0.000 2.171 281 E HA -0.296 4.054 4.350 -0.000 0.000 0.197 281 E C 2.103 178.721 176.600 0.030 0.000 0.997 281 E CA 1.467 57.998 56.400 0.219 0.000 0.810 281 E CB 0.060 29.855 29.700 0.158 0.000 0.738 281 E HN 0.480 nan 8.360 nan 0.000 0.467 282 E N 0.233 120.388 120.200 -0.075 0.000 2.028 282 E HA -0.178 4.172 4.350 -0.000 0.000 0.191 282 E C 2.284 178.784 176.600 -0.167 0.000 0.988 282 E CA 0.781 57.106 56.400 -0.124 0.000 0.799 282 E CB -0.051 29.549 29.700 -0.166 0.000 0.755 282 E HN 0.302 nan 8.360 nan 0.000 0.447 283 L N 0.825 121.873 121.223 -0.292 0.000 2.131 283 L HA -0.217 4.123 4.340 -0.000 0.000 0.210 283 L C 2.879 179.691 176.870 -0.097 0.000 1.092 283 L CA 1.370 56.072 54.840 -0.231 0.000 0.759 283 L CB -0.465 41.411 42.059 -0.305 0.000 0.903 283 L HN 0.327 nan 8.230 nan 0.000 0.435 284 Q N 0.797 120.579 119.800 -0.031 0.000 2.124 284 Q HA -0.220 4.120 4.340 -0.000 0.000 0.202 284 Q C 1.992 177.984 176.000 -0.012 0.000 0.977 284 Q CA 1.468 57.298 55.803 0.044 0.000 0.850 284 Q CB 0.103 28.947 28.738 0.177 0.000 0.901 284 Q HN 0.413 nan 8.270 nan 0.000 0.429 285 K N -0.072 120.308 120.400 -0.033 0.000 2.442 285 K HA -0.095 4.225 4.320 -0.000 0.000 0.198 285 K C 1.653 178.211 176.600 -0.071 0.000 1.042 285 K CA 0.987 57.243 56.287 -0.051 0.000 0.958 285 K CB 0.192 32.665 32.500 -0.045 0.000 0.766 285 K HN 0.196 nan 8.250 nan 0.000 0.474 286 K N 0.326 120.682 120.400 -0.073 0.000 2.308 286 K HA -0.031 4.289 4.320 -0.000 0.000 0.197 286 K C 1.533 178.078 176.600 -0.092 0.000 1.049 286 K CA 0.162 56.402 56.287 -0.079 0.000 0.991 286 K CB 0.294 32.753 32.500 -0.068 0.000 0.836 286 K HN 0.047 nan 8.250 nan 0.000 0.500 287 Q N 1.102 120.858 119.800 -0.073 0.000 2.408 287 Q HA -0.018 4.322 4.340 -0.000 0.000 0.214 287 Q C 0.199 176.107 176.000 -0.153 0.000 0.957 287 Q CA 0.472 56.242 55.803 -0.055 0.000 0.965 287 Q CB 0.117 28.858 28.738 0.005 0.000 0.991 287 Q HN 0.257 nan 8.270 nan 0.000 0.505 288 N N -1.183 117.337 118.700 -0.299 0.000 2.354 288 N HA 0.049 4.788 4.740 -0.000 0.000 0.253 288 N C 0.883 176.002 175.510 -0.653 0.000 1.096 288 N CA 0.122 52.783 53.050 -0.648 0.000 0.820 288 N CB 0.094 38.404 38.487 -0.296 0.000 1.610 288 N HN 0.191 nan 8.380 nan 0.000 0.501 289 L N 1.456 122.504 121.223 -0.290 0.000 2.675 289 L HA 0.218 4.558 4.340 -0.000 0.000 0.238 289 L C -0.017 176.781 176.870 -0.120 0.000 1.155 289 L CA 0.665 55.405 54.840 -0.166 0.000 0.881 289 L CB -0.210 41.792 42.059 -0.095 0.000 1.008 289 L HN 0.025 nan 8.230 nan 0.000 0.443 290 L N 1.043 122.168 121.223 -0.163 0.000 2.564 290 L HA 0.319 4.659 4.340 -0.000 0.000 0.259 290 L C -1.086 175.815 176.870 0.052 0.000 1.101 290 L CA -0.479 54.341 54.840 -0.033 0.000 0.900 290 L CB 0.866 42.915 42.059 -0.017 0.000 1.110 290 L HN 0.251 nan 8.230 nan 0.000 0.468 291 H N 0.000 119.073 119.070 0.005 0.000 2.539 291 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 291 H CA 0.000 56.052 56.048 0.007 0.000 1.023 291 H CB 0.000 29.766 29.762 0.007 0.000 1.292 291 H HN 0.000 nan 8.280 nan 0.000 0.496