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 1xxi_1_I DATA FIRST_RESID 5 DATA SEQUENCE VLARKWRPQT FADVVGQEHV LTALANGLSL GRIHHAYLFS GTRGVGKTSI DATA SEQUENCE ARLLAKGLNC ETGITATPCG VCDNCREIEQ GRFVDLIEID AASRTKVEDT DATA SEQUENCE RDLLDNVQYA PARGRFKVYL IDEVHMLSRH SFNALLKTLE EPPEHVKFLL DATA SEQUENCE ATTDPQKLPV TILSRCLQFH LKALDVEQIR HQLEHILNEE HIAHEPRALQ DATA SEQUENCE LLARAAEGSL RDALSLTDQA IASGDGQVST QAVSAMLGTL DDDQALSLVE DATA SEQUENCE AMVEANGERV MALINEAAAR GIEWEALLVE MLGLLHRIAM VQLSPAALGN DATA SEQUENCE DMAAIELRMR ELARTIPPTD IQLYYQTLLI GRKELPYAPD RRMGVEMTLL DATA SEQUENCE RALAFHPRMP LPEP 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 5 V HA 0.000 nan 4.120 nan 0.000 0.244 5 V C 0.000 176.146 176.094 0.087 0.000 1.182 5 V CA 0.000 62.331 62.300 0.051 0.000 1.235 5 V CB 0.000 31.846 31.823 0.039 0.000 1.184 6 L N 0.983 122.275 121.223 0.115 0.000 2.013 6 L HA -0.165 4.175 4.340 -0.000 0.000 0.212 6 L C 2.968 179.972 176.870 0.222 0.000 1.073 6 L CA 2.771 57.736 54.840 0.209 0.000 0.753 6 L CB -0.696 41.438 42.059 0.125 0.000 0.890 6 L HN 1.070 nan 8.230 nan 0.000 0.432 7 A N 0.117 123.010 122.820 0.121 0.000 1.892 7 A HA -0.301 4.019 4.320 -0.000 0.000 0.218 7 A C 2.333 179.966 177.584 0.082 0.000 1.188 7 A CA 2.291 54.385 52.037 0.096 0.000 0.631 7 A CB -0.528 18.503 19.000 0.051 0.000 0.822 7 A HN 0.340 nan 8.150 nan 0.000 0.447 8 R N 0.041 120.573 120.500 0.053 0.000 2.090 8 R HA -0.026 4.314 4.340 -0.000 0.000 0.228 8 R C 2.127 178.416 176.300 -0.019 0.000 1.110 8 R CA 1.995 58.103 56.100 0.012 0.000 0.973 8 R CB -0.424 29.876 30.300 -0.000 0.000 0.869 8 R HN 0.548 nan 8.270 nan 0.000 0.440 9 K N -1.186 119.207 120.400 -0.011 0.000 2.097 9 K HA -0.124 4.196 4.320 -0.000 0.000 0.205 9 K C 0.305 176.689 176.600 -0.360 0.000 1.050 9 K CA 1.334 57.525 56.287 -0.160 0.000 0.938 9 K CB -0.065 32.367 32.500 -0.113 0.000 0.718 9 K HN 0.230 nan 8.250 nan 0.000 0.442 10 W N 1.899 123.188 121.300 -0.018 0.000 3.151 10 W HA 0.237 4.897 4.660 -0.000 0.000 0.424 10 W C -0.115 176.388 176.519 -0.027 0.000 1.012 10 W CA -0.894 56.441 57.345 -0.017 0.000 2.018 10 W CB 0.273 29.727 29.460 -0.010 0.000 1.087 10 W HN -0.080 nan 8.180 nan 0.000 0.740 11 R N 1.937 122.461 120.500 0.041 0.000 2.489 11 R HA 0.153 4.493 4.340 -0.000 0.000 0.287 11 R C -2.380 173.911 176.300 -0.014 0.000 1.053 11 R CA -1.338 54.766 56.100 0.007 0.000 1.036 11 R CB -0.069 30.209 30.300 -0.036 0.000 0.966 11 R HN -0.155 nan 8.270 nan 0.000 0.432 12 P HA -0.005 nan 4.420 nan 0.000 0.262 12 P C -0.701 176.561 177.300 -0.064 0.000 1.182 12 P CA 0.265 63.344 63.100 -0.035 0.000 0.761 12 P CB 0.807 32.458 31.700 -0.080 0.000 0.795 13 Q N 0.917 120.691 119.800 -0.043 0.000 2.317 13 Q HA 0.122 4.462 4.340 -0.000 0.000 0.220 13 Q C 0.254 176.250 176.000 -0.005 0.000 0.873 13 Q CA 0.463 56.239 55.803 -0.046 0.000 0.936 13 Q CB 0.565 29.268 28.738 -0.058 0.000 1.105 13 Q HN 0.619 nan 8.270 nan 0.000 0.520 14 T N -4.891 109.678 114.554 0.025 0.000 2.868 14 T HA 0.343 4.693 4.350 -0.000 0.000 0.306 14 T C 0.220 175.016 174.700 0.160 0.000 1.224 14 T CA -0.748 61.425 62.100 0.121 0.000 1.012 14 T CB -0.040 68.880 68.868 0.086 0.000 1.221 14 T HN 0.008 nan 8.240 nan 0.000 0.499 15 F N 0.800 120.711 119.950 -0.066 0.000 2.216 15 F HA 0.056 4.583 4.527 -0.000 0.000 0.300 15 F C 2.927 178.696 175.800 -0.053 0.000 1.085 15 F CA 0.876 58.833 58.000 -0.073 0.000 1.326 15 F CB -0.274 38.680 39.000 -0.076 0.000 1.027 15 F HN 0.790 nan 8.300 nan 0.000 0.497 16 A N -0.415 122.500 122.820 0.158 0.000 2.067 16 A HA -0.165 4.155 4.320 -0.000 0.000 0.219 16 A C 1.627 179.237 177.584 0.042 0.000 1.158 16 A CA 1.696 53.778 52.037 0.076 0.000 0.661 16 A CB -0.494 18.538 19.000 0.054 0.000 0.801 16 A HN 0.222 nan 8.150 nan 0.000 0.452 17 D N -0.509 119.916 120.400 0.043 0.000 2.347 17 D HA 0.081 4.720 4.640 -0.000 0.000 0.213 17 D C 0.354 176.660 176.300 0.010 0.000 0.985 17 D CA 0.271 54.294 54.000 0.037 0.000 0.879 17 D CB -0.005 40.828 40.800 0.054 0.000 0.919 17 D HN 0.172 nan 8.370 nan 0.000 0.526 18 V N 1.750 121.650 119.914 -0.023 0.000 2.572 18 V HA 0.023 4.143 4.120 -0.000 0.000 0.291 18 V C 0.630 176.704 176.094 -0.034 0.000 1.039 18 V CA -0.370 61.896 62.300 -0.058 0.000 1.055 18 V CB 1.663 33.408 31.823 -0.129 0.000 0.969 18 V HN -0.188 nan 8.190 nan 0.000 0.482 19 V N 4.615 124.512 119.914 -0.029 0.000 2.461 19 V HA 0.448 4.568 4.120 -0.000 0.000 0.275 19 V C 1.269 177.356 176.094 -0.012 0.000 1.047 19 V CA 0.456 62.745 62.300 -0.019 0.000 0.955 19 V CB 0.682 32.498 31.823 -0.012 0.000 0.988 19 V HN 1.229 nan 8.190 nan 0.000 0.471 20 G N 4.578 113.377 108.800 -0.002 0.000 2.421 20 G HA2 -0.237 3.722 3.960 -0.000 0.000 0.300 20 G HA3 -0.237 3.722 3.960 -0.000 0.000 0.300 20 G C 0.359 175.293 174.900 0.057 0.000 0.974 20 G CA 0.244 45.358 45.100 0.023 0.000 1.062 20 G HN 0.695 nan 8.290 nan 0.000 0.514 21 Q N -0.954 118.866 119.800 0.034 0.000 2.318 21 Q HA 0.252 4.592 4.340 -0.000 0.000 0.371 21 Q C 1.350 177.348 176.000 -0.004 0.000 0.896 21 Q CA -0.212 55.612 55.803 0.034 0.000 1.134 21 Q CB 0.564 29.266 28.738 -0.061 0.000 1.329 21 Q HN 0.607 nan 8.270 nan 0.000 0.413 22 E N 0.692 120.956 120.200 0.106 0.000 2.086 22 E HA -0.257 4.093 4.350 -0.000 0.000 0.205 22 E C 1.752 178.420 176.600 0.112 0.000 1.027 22 E CA 2.180 58.642 56.400 0.103 0.000 0.830 22 E CB -0.268 29.502 29.700 0.117 0.000 0.751 22 E HN 0.566 nan 8.360 nan 0.000 0.456 23 H N -0.246 118.868 119.070 0.073 0.000 2.422 23 H HA -0.055 4.501 4.556 -0.000 0.000 0.298 23 H C 1.960 177.372 175.328 0.139 0.000 1.098 23 H CA 1.574 57.685 56.048 0.106 0.000 1.315 23 H CB -0.794 29.039 29.762 0.118 0.000 1.382 23 H HN 0.122 nan 8.280 nan 0.000 0.523 24 V N 1.538 121.165 119.914 -0.477 0.000 2.446 24 V HA -0.136 3.984 4.120 -0.000 0.000 0.244 24 V C 3.102 179.058 176.094 -0.231 0.000 1.039 24 V CA 1.035 63.120 62.300 -0.358 0.000 1.045 24 V CB -0.499 31.073 31.823 -0.418 0.000 0.681 24 V HN 0.229 nan 8.190 nan 0.000 0.459 25 L N -0.201 120.949 121.223 -0.121 0.000 2.093 25 L HA -0.148 4.192 4.340 -0.000 0.000 0.208 25 L C 2.588 179.510 176.870 0.087 0.000 1.085 25 L CA 1.723 56.585 54.840 0.037 0.000 0.755 25 L CB -1.030 41.072 42.059 0.073 0.000 0.904 25 L HN 0.337 nan 8.230 nan 0.000 0.435 26 T N -0.071 114.517 114.554 0.057 0.000 2.821 26 T HA -0.101 4.249 4.350 -0.000 0.000 0.267 26 T C 2.010 176.756 174.700 0.077 0.000 1.046 26 T CA 1.304 63.445 62.100 0.068 0.000 1.139 26 T CB -0.077 68.840 68.868 0.081 0.000 0.871 26 T HN 0.441 nan 8.240 nan 0.000 0.454 27 A N 0.982 123.859 122.820 0.095 0.000 1.897 27 A HA 0.133 4.453 4.320 -0.000 0.000 0.215 27 A C 2.273 179.933 177.584 0.127 0.000 1.181 27 A CA 0.893 53.023 52.037 0.156 0.000 0.620 27 A CB -0.702 18.490 19.000 0.320 0.000 0.821 27 A HN 0.442 nan 8.150 nan 0.000 0.443 28 L N -0.740 120.498 121.223 0.024 0.000 2.046 28 L HA -0.189 4.151 4.340 -0.000 0.000 0.208 28 L C 3.098 180.012 176.870 0.073 0.000 1.077 28 L CA 1.070 55.947 54.840 0.062 0.000 0.747 28 L CB -0.523 41.575 42.059 0.065 0.000 0.896 28 L HN 0.456 nan 8.230 nan 0.000 0.432 29 A N 0.293 123.125 122.820 0.021 0.000 1.898 29 A HA -0.260 4.060 4.320 -0.000 0.000 0.216 29 A C 2.020 179.583 177.584 -0.035 0.000 1.181 29 A CA 2.114 54.084 52.037 -0.112 0.000 0.620 29 A CB -0.739 18.180 19.000 -0.135 0.000 0.819 29 A HN 0.486 nan 8.150 nan 0.000 0.442 30 N N -0.098 118.618 118.700 0.026 0.000 2.084 30 N HA -0.069 4.671 4.740 -0.000 0.000 0.190 30 N C 1.781 177.336 175.510 0.074 0.000 1.030 30 N CA 2.183 55.262 53.050 0.048 0.000 0.849 30 N CB -0.615 37.915 38.487 0.073 0.000 1.012 30 N HN 0.290 nan 8.380 nan 0.000 0.423 31 G N 0.628 109.501 108.800 0.121 0.000 2.446 31 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.217 31 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.217 31 G C 1.601 176.582 174.900 0.135 0.000 1.168 31 G CA 0.838 46.041 45.100 0.172 0.000 0.771 31 G HN 0.324 nan 8.290 nan 0.000 0.551 32 L N 1.313 122.590 121.223 0.090 0.000 2.017 32 L HA -0.141 4.199 4.340 -0.000 0.000 0.208 32 L C 3.385 180.271 176.870 0.026 0.000 1.073 32 L CA 1.715 56.584 54.840 0.049 0.000 0.745 32 L CB -0.486 41.552 42.059 -0.035 0.000 0.894 32 L HN 0.464 nan 8.230 nan 0.000 0.432 33 S N -0.188 115.509 115.700 -0.005 0.000 2.400 33 S HA -0.159 4.311 4.470 -0.000 0.000 0.232 33 S C 1.682 176.295 174.600 0.022 0.000 1.025 33 S CA 1.000 59.196 58.200 -0.008 0.000 0.993 33 S CB -0.494 62.691 63.200 -0.025 0.000 0.808 33 S HN 0.417 nan 8.310 nan 0.000 0.478 34 L N 1.163 122.412 121.223 0.042 0.000 2.653 34 L HA 0.316 4.656 4.340 -0.000 0.000 0.231 34 L C 1.568 178.476 176.870 0.063 0.000 1.153 34 L CA 0.223 55.092 54.840 0.049 0.000 0.933 34 L CB -0.722 41.370 42.059 0.053 0.000 1.175 34 L HN 0.616 nan 8.230 nan 0.000 0.473 35 G N 1.377 110.222 108.800 0.076 0.000 2.249 35 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.273 35 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.273 35 G C 0.439 175.400 174.900 0.102 0.000 1.036 35 G CA 0.093 45.251 45.100 0.097 0.000 0.824 35 G HN 0.382 nan 8.290 nan 0.000 0.504 36 R N 0.390 120.957 120.500 0.113 0.000 2.522 36 R HA 0.400 4.740 4.340 -0.000 0.000 0.290 36 R C -0.139 176.259 176.300 0.163 0.000 1.216 36 R CA -0.592 55.568 56.100 0.099 0.000 1.250 36 R CB -0.058 30.309 30.300 0.112 0.000 1.143 36 R HN 0.194 nan 8.270 nan 0.000 0.553 37 I N 3.973 124.619 120.570 0.127 0.000 2.354 37 I HA 0.267 4.436 4.170 -0.000 0.000 0.292 37 I C 0.272 176.448 176.117 0.098 0.000 0.989 37 I CA -1.053 60.380 61.300 0.220 0.000 1.188 37 I CB 0.981 39.077 38.000 0.160 0.000 1.342 37 I HN 0.427 nan 8.210 nan 0.000 0.457 38 H N 4.386 123.469 119.070 0.021 0.000 2.508 38 H HA 0.252 4.808 4.556 -0.000 0.000 0.358 38 H C 1.343 176.631 175.328 -0.068 0.000 1.212 38 H CA -0.318 55.656 56.048 -0.123 0.000 1.356 38 H CB 0.706 30.214 29.762 -0.424 0.000 1.525 38 H HN 0.521 nan 8.280 nan 0.000 0.578 39 H N -0.539 118.547 119.070 0.028 0.000 2.535 39 H HA 0.380 4.936 4.556 -0.000 0.000 0.273 39 H C -0.271 175.145 175.328 0.146 0.000 0.983 39 H CA 0.596 56.697 56.048 0.088 0.000 1.238 39 H CB 0.223 30.040 29.762 0.093 0.000 1.412 39 H HN 0.450 nan 8.280 nan 0.000 0.562 40 A N 0.339 122.872 122.820 -0.478 0.000 2.488 40 A HA 0.557 4.877 4.320 -0.000 0.000 0.298 40 A C -1.997 175.379 177.584 -0.347 0.000 1.044 40 A CA -0.706 51.195 52.037 -0.228 0.000 0.693 40 A CB 1.287 20.102 19.000 -0.309 0.000 1.272 40 A HN 0.187 nan 8.150 nan 0.000 0.402 41 Y N 0.739 120.995 120.300 -0.073 0.000 2.446 41 Y HA 0.683 5.233 4.550 -0.000 0.000 0.345 41 Y C -0.191 175.542 175.900 -0.279 0.000 0.984 41 Y CA -0.847 57.138 58.100 -0.192 0.000 1.058 41 Y CB 2.231 40.622 38.460 -0.114 0.000 1.220 41 Y HN 0.681 nan 8.280 nan 0.000 0.455 42 L N 4.085 125.112 121.223 -0.326 0.000 2.356 42 L HA 0.589 4.929 4.340 -0.000 0.000 0.277 42 L C -1.880 174.715 176.870 -0.458 0.000 0.996 42 L CA -0.675 54.003 54.840 -0.270 0.000 0.822 42 L CB 0.939 42.877 42.059 -0.202 0.000 1.256 42 L HN 0.560 nan 8.230 nan 0.000 0.413 43 F N 2.959 122.969 119.950 0.100 0.000 2.427 43 F HA 0.439 4.966 4.527 -0.000 0.000 0.348 43 F C 0.467 176.293 175.800 0.044 0.000 1.125 43 F CA -0.458 57.591 58.000 0.081 0.000 0.989 43 F CB 2.059 41.094 39.000 0.057 0.000 1.165 43 F HN 0.396 nan 8.300 nan 0.000 0.442 44 S N 1.971 117.762 115.700 0.152 0.000 2.648 44 S HA 1.029 5.498 4.470 -0.000 0.000 0.305 44 S C -0.287 174.402 174.600 0.149 0.000 1.094 44 S CA -0.315 57.956 58.200 0.119 0.000 0.983 44 S CB 2.166 65.405 63.200 0.064 0.000 1.101 44 S HN 1.361 nan 8.310 nan 0.000 0.514 45 G N 0.546 109.419 108.800 0.122 0.000 2.361 45 G HA2 0.382 4.342 3.960 -0.000 0.000 0.305 45 G HA3 0.382 4.342 3.960 -0.000 0.000 0.305 45 G C -0.294 174.654 174.900 0.079 0.000 1.367 45 G CA -0.183 44.985 45.100 0.112 0.000 0.951 45 G HN 1.387 nan 8.290 nan 0.000 0.615 46 T N -0.715 113.879 114.554 0.066 0.000 2.885 46 T HA 0.546 4.896 4.350 -0.000 0.000 0.356 46 T C 0.672 175.401 174.700 0.048 0.000 1.137 46 T CA -0.265 61.865 62.100 0.050 0.000 1.014 46 T CB 0.384 69.276 68.868 0.040 0.000 1.410 46 T HN 0.576 nan 8.240 nan 0.000 0.532 47 R N 0.768 121.292 120.500 0.040 0.000 2.442 47 R HA 0.379 4.719 4.340 -0.000 0.000 0.291 47 R C 1.416 177.731 176.300 0.026 0.000 1.069 47 R CA 0.620 56.741 56.100 0.035 0.000 1.022 47 R CB -0.166 30.153 30.300 0.031 0.000 0.976 47 R HN 1.182 nan 8.270 nan 0.000 0.443 48 G N 1.717 110.530 108.800 0.021 0.000 2.356 48 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.296 48 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.296 48 G C 0.603 175.508 174.900 0.008 0.000 1.022 48 G CA 0.666 45.773 45.100 0.012 0.000 0.961 48 G HN 0.547 nan 8.290 nan 0.000 0.510 49 V N -3.932 115.989 119.914 0.011 0.000 3.660 49 V HA 0.667 4.787 4.120 -0.000 0.000 0.276 49 V C 1.717 177.803 176.094 -0.014 0.000 1.317 49 V CA 1.074 63.381 62.300 0.011 0.000 1.097 49 V CB 0.276 32.120 31.823 0.035 0.000 0.863 49 V HN 2.119 nan 8.190 nan 0.000 0.438 50 G N 0.508 109.286 108.800 -0.036 0.000 2.164 50 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.154 50 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.154 50 G C 0.609 175.418 174.900 -0.151 0.000 1.014 50 G CA 0.229 45.274 45.100 -0.091 0.000 0.683 50 G HN 0.421 nan 8.290 nan 0.000 0.500 51 K N -0.046 120.295 120.400 -0.099 0.000 2.009 51 K HA -0.078 4.242 4.320 -0.000 0.000 0.210 51 K C 2.509 178.957 176.600 -0.254 0.000 1.049 51 K CA 1.975 58.182 56.287 -0.133 0.000 0.929 51 K CB -0.346 32.168 32.500 0.023 0.000 0.714 51 K HN 0.307 nan 8.250 nan 0.000 0.440 52 T N 0.938 115.404 114.554 -0.147 0.000 2.821 52 T HA -0.084 4.265 4.350 -0.000 0.000 0.267 52 T C 2.147 176.718 174.700 -0.214 0.000 1.046 52 T CA 1.324 63.337 62.100 -0.146 0.000 1.139 52 T CB -0.152 68.674 68.868 -0.069 0.000 0.871 52 T HN 0.132 nan 8.240 nan 0.000 0.454 53 S N 1.253 116.827 115.700 -0.210 0.000 2.359 53 S HA -0.019 4.451 4.470 -0.000 0.000 0.224 53 S C 2.048 176.430 174.600 -0.362 0.000 1.035 53 S CA 1.009 59.071 58.200 -0.230 0.000 1.018 53 S CB -0.418 62.671 63.200 -0.186 0.000 0.876 53 S HN 0.419 nan 8.310 nan 0.000 0.448 54 I N 1.492 121.767 120.570 -0.491 0.000 2.252 54 I HA -0.187 3.983 4.170 -0.000 0.000 0.245 54 I C 2.716 178.360 176.117 -0.787 0.000 1.102 54 I CA 1.010 61.880 61.300 -0.716 0.000 1.385 54 I CB -0.568 36.965 38.000 -0.779 0.000 1.064 54 I HN 0.266 nan 8.210 nan 0.000 0.414 55 A N 0.690 123.011 122.820 -0.832 0.000 1.908 55 A HA -0.243 4.076 4.320 -0.000 0.000 0.218 55 A C 2.446 179.851 177.584 -0.297 0.000 1.181 55 A CA 1.577 53.271 52.037 -0.572 0.000 0.627 55 A CB -0.637 18.173 19.000 -0.316 0.000 0.818 55 A HN 0.293 nan 8.150 nan 0.000 0.445 56 R N -0.728 119.617 120.500 -0.259 0.000 2.096 56 R HA -0.045 4.295 4.340 -0.000 0.000 0.235 56 R C 2.041 178.241 176.300 -0.167 0.000 1.127 56 R CA 1.387 57.386 56.100 -0.168 0.000 0.968 56 R CB -0.381 29.834 30.300 -0.143 0.000 0.861 56 R HN 0.580 nan 8.270 nan 0.000 0.440 57 L N 0.309 121.382 121.223 -0.250 0.000 2.056 57 L HA -0.191 4.149 4.340 -0.000 0.000 0.207 57 L C 2.401 179.251 176.870 -0.034 0.000 1.078 57 L CA 0.514 55.246 54.840 -0.181 0.000 0.749 57 L CB -0.440 41.343 42.059 -0.459 0.000 0.901 57 L HN 0.217 nan 8.230 nan 0.000 0.433 58 L N 0.492 121.630 121.223 -0.142 0.000 2.012 58 L HA -0.164 4.176 4.340 -0.000 0.000 0.210 58 L C 2.633 179.478 176.870 -0.042 0.000 1.073 58 L CA 2.096 56.914 54.840 -0.038 0.000 0.748 58 L CB -0.796 41.149 42.059 -0.190 0.000 0.891 58 L HN 0.145 nan 8.230 nan 0.000 0.431 59 A N -0.818 121.964 122.820 -0.065 0.000 1.933 59 A HA -0.261 4.059 4.320 -0.000 0.000 0.218 59 A C 2.465 180.047 177.584 -0.003 0.000 1.175 59 A CA 1.986 54.012 52.037 -0.018 0.000 0.628 59 A CB -0.598 18.397 19.000 -0.008 0.000 0.814 59 A HN 0.515 nan 8.150 nan 0.000 0.444 60 K N -0.906 119.476 120.400 -0.030 0.000 2.057 60 K HA -0.092 4.228 4.320 -0.000 0.000 0.206 60 K C 2.049 178.647 176.600 -0.003 0.000 1.050 60 K CA 1.173 57.430 56.287 -0.050 0.000 0.935 60 K CB -0.441 32.031 32.500 -0.047 0.000 0.715 60 K HN 0.429 nan 8.250 nan 0.000 0.439 61 G N 0.804 109.635 108.800 0.052 0.000 2.422 61 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.218 61 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.218 61 G C 1.396 176.332 174.900 0.060 0.000 1.140 61 G CA 0.477 45.603 45.100 0.044 0.000 0.775 61 G HN 0.173 nan 8.290 nan 0.000 0.545 62 L N 0.016 121.291 121.223 0.086 0.000 2.156 62 L HA 0.098 4.438 4.340 -0.000 0.000 0.208 62 L C 1.929 178.981 176.870 0.302 0.000 1.095 62 L CA 0.631 55.588 54.840 0.195 0.000 0.770 62 L CB -0.049 42.077 42.059 0.110 0.000 0.914 62 L HN 0.110 nan 8.230 nan 0.000 0.439 63 N N -1.297 117.507 118.700 0.175 0.000 2.187 63 N HA 0.049 4.789 4.740 -0.000 0.000 0.212 63 N C -0.025 175.497 175.510 0.020 0.000 1.152 63 N CA -0.063 53.073 53.050 0.143 0.000 0.872 63 N CB 0.370 38.963 38.487 0.176 0.000 1.025 63 N HN 0.166 nan 8.380 nan 0.000 0.514 64 C N 1.816 121.115 119.300 -0.002 0.000 2.596 64 C HA 0.022 4.482 4.460 -0.000 0.000 0.414 64 C C 1.935 176.916 174.990 -0.015 0.000 1.396 64 C CA 0.018 59.014 59.018 -0.037 0.000 1.698 64 C CB -0.323 27.400 27.740 -0.028 0.000 2.572 64 C HN 0.466 nan 8.230 nan 0.000 0.604 65 E N 1.781 121.964 120.200 -0.028 0.000 2.209 65 E HA -0.168 4.182 4.350 -0.000 0.000 0.196 65 E C 2.031 178.625 176.600 -0.012 0.000 0.993 65 E CA 1.651 58.043 56.400 -0.014 0.000 0.819 65 E CB -0.008 29.682 29.700 -0.016 0.000 0.745 65 E HN 0.880 nan 8.360 nan 0.000 0.477 66 T N -0.423 114.122 114.554 -0.016 0.000 2.881 66 T HA 0.040 4.390 4.350 -0.000 0.000 0.270 66 T C 0.481 175.177 174.700 -0.006 0.000 1.068 66 T CA 1.009 63.101 62.100 -0.013 0.000 1.131 66 T CB -0.016 68.840 68.868 -0.019 0.000 0.871 66 T HN 0.452 nan 8.240 nan 0.000 0.479 67 G N -0.234 108.566 108.800 0.001 0.000 2.340 67 G HA2 0.065 4.025 3.960 -0.000 0.000 0.527 67 G HA3 0.065 4.025 3.960 -0.000 0.000 0.527 67 G C -1.060 173.859 174.900 0.032 0.000 1.381 67 G CA -1.041 44.068 45.100 0.014 0.000 1.001 67 G HN 0.269 nan 8.290 nan 0.000 0.626 68 I N 1.605 122.212 120.570 0.061 0.000 2.671 68 I HA 0.371 4.541 4.170 -0.000 0.000 0.285 68 I C 0.926 177.066 176.117 0.039 0.000 1.148 68 I CA 0.863 62.220 61.300 0.094 0.000 1.386 68 I CB 0.680 38.773 38.000 0.155 0.000 1.406 68 I HN 0.617 nan 8.210 nan 0.000 0.540 69 T N 3.947 118.504 114.554 0.005 0.000 2.883 69 T HA 0.570 4.920 4.350 -0.000 0.000 0.301 69 T C 0.413 175.030 174.700 -0.137 0.000 1.158 69 T CA -0.232 61.835 62.100 -0.054 0.000 1.007 69 T CB 1.765 70.600 68.868 -0.055 0.000 1.186 69 T HN 0.538 nan 8.240 nan 0.000 0.499 70 A N 1.683 124.363 122.820 -0.233 0.000 2.251 70 A HA 0.325 4.645 4.320 -0.000 0.000 0.209 70 A C 1.014 178.260 177.584 -0.564 0.000 1.187 70 A CA 0.826 52.551 52.037 -0.520 0.000 0.823 70 A CB -0.419 18.296 19.000 -0.474 0.000 0.846 70 A HN 0.992 nan 8.150 nan 0.000 0.486 71 T N -1.356 113.038 114.554 -0.267 0.000 3.410 71 T HA 0.484 4.834 4.350 -0.000 0.000 0.328 71 T C -3.077 171.577 174.700 -0.077 0.000 1.567 71 T CA -1.854 60.151 62.100 -0.159 0.000 1.626 71 T CB 0.609 69.410 68.868 -0.112 0.000 0.939 71 T HN -0.049 nan 8.240 nan 0.000 0.656 72 P HA 0.049 nan 4.420 nan 0.000 0.263 72 P C 1.614 178.896 177.300 -0.030 0.000 1.175 72 P CA -0.414 62.670 63.100 -0.027 0.000 0.761 72 P CB 0.363 32.060 31.700 -0.004 0.000 0.794 73 C N 1.724 121.002 119.300 -0.037 0.000 2.425 73 C HA 0.091 4.551 4.460 -0.000 0.000 0.277 73 C C 1.965 176.933 174.990 -0.037 0.000 1.280 73 C CA 0.947 59.945 59.018 -0.034 0.000 1.744 73 C CB -1.793 25.926 27.740 -0.034 0.000 1.989 73 C HN 0.775 nan 8.230 nan 0.000 0.491 74 G N 0.034 108.806 108.800 -0.048 0.000 2.179 74 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.260 74 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.260 74 G C 0.775 175.641 174.900 -0.057 0.000 0.977 74 G CA 0.953 46.021 45.100 -0.054 0.000 0.641 74 G HN 1.708 nan 8.290 nan 0.000 0.533 75 V N -2.043 117.840 119.914 -0.052 0.000 3.548 75 V HA 0.386 4.506 4.120 -0.000 0.000 0.279 75 V C 1.765 177.831 176.094 -0.047 0.000 1.446 75 V CA 0.464 62.736 62.300 -0.046 0.000 1.023 75 V CB -0.857 30.945 31.823 -0.036 0.000 0.820 75 V HN 1.349 nan 8.190 nan 0.000 0.438 76 C N 0.487 119.755 119.300 -0.055 0.000 2.580 76 C HA 0.422 4.882 4.460 -0.000 0.000 0.371 76 C C 1.736 176.686 174.990 -0.066 0.000 1.308 76 C CA 0.289 59.275 59.018 -0.052 0.000 2.428 76 C CB 0.787 28.495 27.740 -0.053 0.000 2.529 76 C HN 0.523 nan 8.230 nan 0.000 0.657 77 D N 1.276 121.648 120.400 -0.047 0.000 2.123 77 D HA -0.124 4.516 4.640 -0.000 0.000 0.196 77 D C 1.756 177.999 176.300 -0.095 0.000 0.992 77 D CA 1.739 55.716 54.000 -0.039 0.000 0.833 77 D CB -0.371 40.432 40.800 0.005 0.000 0.954 77 D HN 0.674 nan 8.370 nan 0.000 0.455 78 N N 0.351 118.959 118.700 -0.153 0.000 2.069 78 N HA -0.128 4.612 4.740 -0.000 0.000 0.191 78 N C 2.003 177.189 175.510 -0.540 0.000 1.031 78 N CA 0.741 53.510 53.050 -0.468 0.000 0.852 78 N CB -0.858 37.400 38.487 -0.382 0.000 1.018 78 N HN 0.205 nan 8.380 nan 0.000 0.423 79 C N 0.846 119.967 119.300 -0.298 0.000 2.432 79 C HA -0.028 4.432 4.460 -0.000 0.000 0.277 79 C C 2.629 177.509 174.990 -0.183 0.000 1.249 79 C CA 0.443 59.325 59.018 -0.226 0.000 1.725 79 C CB -0.871 26.788 27.740 -0.136 0.000 2.028 79 C HN 0.472 nan 8.230 nan 0.000 0.477 80 R N 0.509 120.926 120.500 -0.138 0.000 2.081 80 R HA -0.132 4.208 4.340 -0.000 0.000 0.235 80 R C 2.092 178.341 176.300 -0.084 0.000 1.131 80 R CA 1.440 57.484 56.100 -0.094 0.000 0.960 80 R CB -0.359 29.903 30.300 -0.063 0.000 0.856 80 R HN 0.653 nan 8.270 nan 0.000 0.436 81 E N 0.584 120.730 120.200 -0.089 0.000 2.077 81 E HA -0.153 4.197 4.350 -0.000 0.000 0.193 81 E C 2.029 178.620 176.600 -0.014 0.000 0.989 81 E CA 0.977 57.373 56.400 -0.007 0.000 0.800 81 E CB -0.056 29.723 29.700 0.131 0.000 0.746 81 E HN 0.304 nan 8.360 nan 0.000 0.452 82 I N 0.950 121.422 120.570 -0.163 0.000 2.226 82 I HA -0.261 3.909 4.170 -0.000 0.000 0.245 82 I C 2.485 178.563 176.117 -0.065 0.000 1.100 82 I CA 0.984 62.218 61.300 -0.110 0.000 1.374 82 I CB -0.117 37.735 38.000 -0.246 0.000 1.057 82 I HN 0.076 nan 8.210 nan 0.000 0.413 83 E N 1.098 121.245 120.200 -0.089 0.000 2.085 83 E HA -0.262 4.088 4.350 -0.000 0.000 0.194 83 E C 2.108 178.679 176.600 -0.048 0.000 0.994 83 E CA 1.632 57.989 56.400 -0.072 0.000 0.801 83 E CB -0.151 29.501 29.700 -0.081 0.000 0.743 83 E HN 0.474 nan 8.360 nan 0.000 0.453 84 Q N -1.499 118.281 119.800 -0.034 0.000 2.436 84 Q HA 0.086 4.426 4.340 -0.000 0.000 0.209 84 Q C 1.022 177.021 176.000 -0.003 0.000 0.965 84 Q CA 0.619 56.412 55.803 -0.018 0.000 0.910 84 Q CB 0.248 28.981 28.738 -0.008 0.000 0.980 84 Q HN 0.438 nan 8.270 nan 0.000 0.491 85 G N 1.495 110.300 108.800 0.008 0.000 2.143 85 G HA2 -0.296 3.663 3.960 -0.000 0.000 0.248 85 G HA3 -0.296 3.663 3.960 -0.000 0.000 0.248 85 G C 0.458 175.381 174.900 0.038 0.000 0.991 85 G CA 0.392 45.505 45.100 0.021 0.000 0.689 85 G HN 0.199 nan 8.290 nan 0.000 0.522 86 R N -0.687 119.850 120.500 0.061 0.000 2.767 86 R HA 0.486 4.826 4.340 -0.000 0.000 0.377 86 R C -0.312 176.066 176.300 0.131 0.000 1.151 86 R CA -0.772 55.365 56.100 0.063 0.000 1.046 86 R CB -0.328 29.995 30.300 0.040 0.000 1.404 86 R HN 0.221 nan 8.270 nan 0.000 0.580 87 F N 0.099 120.024 119.950 -0.042 0.000 2.405 87 F HA 0.188 4.715 4.527 -0.000 0.000 0.355 87 F C 1.219 176.986 175.800 -0.055 0.000 1.121 87 F CA -0.942 57.032 58.000 -0.043 0.000 1.112 87 F CB 1.256 40.231 39.000 -0.042 0.000 1.126 87 F HN -0.118 nan 8.300 nan 0.000 0.481 88 V N 4.815 124.438 119.914 -0.485 0.000 2.568 88 V HA -0.207 3.913 4.120 -0.000 0.000 0.253 88 V C 1.024 176.772 176.094 -0.576 0.000 1.072 88 V CA 2.413 64.442 62.300 -0.451 0.000 1.084 88 V CB -0.352 31.256 31.823 -0.358 0.000 0.676 88 V HN 0.746 nan 8.190 nan 0.000 0.469 89 D N -0.164 119.612 120.400 -1.040 0.000 2.368 89 D HA 0.208 4.848 4.640 -0.000 0.000 0.218 89 D C 0.026 176.161 176.300 -0.274 0.000 1.112 89 D CA -0.018 53.610 54.000 -0.619 0.000 0.834 89 D CB 0.799 41.272 40.800 -0.546 0.000 0.953 89 D HN 0.418 nan 8.370 nan 0.000 0.505 90 L N 1.456 122.583 121.223 -0.160 0.000 2.366 90 L HA 0.395 4.735 4.340 -0.000 0.000 0.266 90 L C -0.954 175.837 176.870 -0.130 0.000 1.010 90 L CA -0.454 54.379 54.840 -0.012 0.000 0.879 90 L CB 0.702 42.881 42.059 0.200 0.000 1.228 90 L HN -0.172 nan 8.230 nan 0.000 0.439 91 I N 4.034 124.431 120.570 -0.288 0.000 2.291 91 I HA 0.238 4.408 4.170 -0.000 0.000 0.292 91 I C 0.200 176.253 176.117 -0.108 0.000 1.064 91 I CA -0.240 60.898 61.300 -0.270 0.000 1.269 91 I CB 0.721 38.396 38.000 -0.541 0.000 1.418 91 I HN 0.557 nan 8.210 nan 0.000 0.485 92 E N 6.987 127.167 120.200 -0.033 0.000 2.194 92 E HA 0.458 4.808 4.350 -0.000 0.000 0.284 92 E C -0.676 175.953 176.600 0.049 0.000 1.035 92 E CA -0.289 56.124 56.400 0.021 0.000 0.836 92 E CB 1.533 31.241 29.700 0.014 0.000 1.070 92 E HN 0.478 nan 8.360 nan 0.000 0.401 93 I N 2.570 123.192 120.570 0.087 0.000 2.433 93 I HA 0.169 4.339 4.170 -0.000 0.000 0.292 93 I C -0.534 175.623 176.117 0.066 0.000 1.001 93 I CA -0.716 60.638 61.300 0.090 0.000 1.119 93 I CB 1.733 39.818 38.000 0.141 0.000 1.289 93 I HN 0.377 nan 8.210 nan 0.000 0.438 94 D N 5.048 125.472 120.400 0.040 0.000 2.472 94 D HA 0.411 5.051 4.640 -0.000 0.000 0.234 94 D C 0.688 176.988 176.300 0.001 0.000 1.088 94 D CA -0.359 53.655 54.000 0.023 0.000 0.882 94 D CB 1.810 42.620 40.800 0.015 0.000 1.037 94 D HN 0.615 nan 8.370 nan 0.000 0.520 95 A N 3.118 125.930 122.820 -0.013 0.000 2.067 95 A HA 0.058 4.378 4.320 -0.000 0.000 0.219 95 A C 1.882 179.418 177.584 -0.080 0.000 1.158 95 A CA 1.412 53.413 52.037 -0.060 0.000 0.661 95 A CB -0.110 18.834 19.000 -0.093 0.000 0.801 95 A HN 0.550 nan 8.150 nan 0.000 0.452 96 A N -0.791 121.993 122.820 -0.059 0.000 2.208 96 A HA 0.306 4.626 4.320 -0.000 0.000 0.209 96 A C 1.346 178.911 177.584 -0.031 0.000 1.161 96 A CA 0.714 52.717 52.037 -0.056 0.000 0.782 96 A CB -0.379 18.600 19.000 -0.035 0.000 0.816 96 A HN 0.406 nan 8.150 nan 0.000 0.477 97 S N -0.381 115.306 115.700 -0.023 0.000 2.499 97 S HA 0.287 4.757 4.470 -0.000 0.000 0.275 97 S C 1.090 175.680 174.600 -0.017 0.000 1.257 97 S CA -0.557 57.635 58.200 -0.014 0.000 1.050 97 S CB 0.409 63.605 63.200 -0.006 0.000 0.937 97 S HN 0.515 nan 8.310 nan 0.000 0.490 98 R N 2.523 123.016 120.500 -0.013 0.000 2.189 98 R HA -0.015 4.325 4.340 -0.000 0.000 0.218 98 R C 1.601 177.895 176.300 -0.011 0.000 1.074 98 R CA 1.503 57.595 56.100 -0.013 0.000 0.991 98 R CB -0.212 30.082 30.300 -0.009 0.000 0.883 98 R HN 0.619 nan 8.270 nan 0.000 0.457 99 T N 0.379 114.928 114.554 -0.007 0.000 3.035 99 T HA 0.034 4.384 4.350 -0.000 0.000 0.259 99 T C 1.023 175.721 174.700 -0.003 0.000 1.078 99 T CA 0.803 62.900 62.100 -0.005 0.000 1.132 99 T CB 0.203 69.069 68.868 -0.002 0.000 0.900 99 T HN 0.154 nan 8.240 nan 0.000 0.480 100 K N 2.120 122.518 120.400 -0.003 0.000 2.570 100 K HA 0.232 4.552 4.320 -0.000 0.000 0.210 100 K C 1.653 178.252 176.600 -0.001 0.000 1.048 100 K CA -0.074 56.214 56.287 0.001 0.000 1.167 100 K CB 0.250 32.754 32.500 0.005 0.000 0.892 100 K HN 0.223 nan 8.250 nan 0.000 0.480 101 V N -1.531 118.378 119.914 -0.008 0.000 2.407 101 V HA -0.269 3.851 4.120 -0.000 0.000 0.248 101 V C 2.131 178.221 176.094 -0.007 0.000 1.055 101 V CA 1.682 63.974 62.300 -0.014 0.000 1.049 101 V CB -0.484 31.326 31.823 -0.021 0.000 0.662 101 V HN 0.384 nan 8.190 nan 0.000 0.455 102 E N 0.507 120.705 120.200 -0.003 0.000 2.028 102 E HA -0.224 4.126 4.350 -0.000 0.000 0.190 102 E C 2.031 178.640 176.600 0.016 0.000 0.984 102 E CA 1.324 57.725 56.400 0.003 0.000 0.800 102 E CB -0.156 29.545 29.700 0.000 0.000 0.758 102 E HN 0.599 nan 8.360 nan 0.000 0.448 103 D N -0.034 120.376 120.400 0.018 0.000 2.158 103 D HA -0.156 4.484 4.640 -0.000 0.000 0.197 103 D C 1.917 178.242 176.300 0.041 0.000 0.995 103 D CA 1.528 55.545 54.000 0.029 0.000 0.846 103 D CB -0.418 40.397 40.800 0.025 0.000 0.941 103 D HN 0.212 nan 8.370 nan 0.000 0.456 104 T N 0.537 115.110 114.554 0.032 0.000 2.674 104 T HA -0.175 4.175 4.350 -0.000 0.000 0.265 104 T C 1.971 176.697 174.700 0.043 0.000 1.039 104 T CA 1.221 63.343 62.100 0.036 0.000 1.150 104 T CB -0.020 68.853 68.868 0.008 0.000 0.864 104 T HN 0.154 nan 8.240 nan 0.000 0.427 105 R N 0.793 121.316 120.500 0.038 0.000 2.073 105 R HA -0.133 4.207 4.340 -0.000 0.000 0.234 105 R C 1.989 178.337 176.300 0.081 0.000 1.134 105 R CA 1.911 58.051 56.100 0.068 0.000 0.952 105 R CB -0.247 30.087 30.300 0.057 0.000 0.850 105 R HN 0.298 nan 8.270 nan 0.000 0.433 106 D N 0.642 121.080 120.400 0.064 0.000 2.084 106 D HA -0.167 4.473 4.640 -0.000 0.000 0.194 106 D C 2.064 178.410 176.300 0.077 0.000 0.990 106 D CA 1.218 55.259 54.000 0.067 0.000 0.826 106 D CB -0.316 40.515 40.800 0.051 0.000 0.971 106 D HN 0.263 nan 8.370 nan 0.000 0.453 107 L N 0.402 121.677 121.223 0.088 0.000 2.042 107 L HA -0.166 4.174 4.340 -0.000 0.000 0.210 107 L C 2.540 179.479 176.870 0.115 0.000 1.076 107 L CA 0.770 55.689 54.840 0.132 0.000 0.749 107 L CB -0.344 41.819 42.059 0.173 0.000 0.893 107 L HN 0.045 nan 8.230 nan 0.000 0.432 108 L N -0.828 120.438 121.223 0.070 0.000 2.291 108 L HA -0.139 4.201 4.340 -0.000 0.000 0.214 108 L C 1.643 178.504 176.870 -0.014 0.000 1.120 108 L CA 0.628 55.469 54.840 0.003 0.000 0.799 108 L CB -0.390 41.663 42.059 -0.010 0.000 0.925 108 L HN 0.265 nan 8.230 nan 0.000 0.446 109 D N -0.256 120.162 120.400 0.030 0.000 2.348 109 D HA 0.001 4.641 4.640 -0.000 0.000 0.211 109 D C 0.473 176.806 176.300 0.056 0.000 0.998 109 D CA 0.622 54.646 54.000 0.041 0.000 0.873 109 D CB 0.197 41.053 40.800 0.093 0.000 0.925 109 D HN 0.276 nan 8.370 nan 0.000 0.524 110 N N 0.750 119.485 118.700 0.058 0.000 2.723 110 N HA 0.096 4.836 4.740 -0.000 0.000 0.290 110 N C -0.686 174.860 175.510 0.060 0.000 1.882 110 N CA -0.103 52.994 53.050 0.077 0.000 0.851 110 N CB 2.211 40.749 38.487 0.085 0.000 1.234 110 N HN -0.155 nan 8.380 nan 0.000 0.491 111 V N 1.536 121.427 119.914 -0.038 0.000 2.540 111 V HA -0.068 4.052 4.120 -0.000 0.000 0.297 111 V C 0.880 176.869 176.094 -0.175 0.000 1.024 111 V CA 0.305 62.501 62.300 -0.172 0.000 1.105 111 V CB 0.509 32.053 31.823 -0.465 0.000 0.938 111 V HN 0.332 nan 8.190 nan 0.000 0.482 112 Q N 4.208 124.034 119.800 0.044 0.000 2.423 112 Q HA 0.204 4.544 4.340 -0.000 0.000 0.235 112 Q C -0.029 175.998 176.000 0.046 0.000 1.100 112 Q CA -0.148 55.697 55.803 0.071 0.000 0.908 112 Q CB 0.316 29.099 28.738 0.075 0.000 1.312 112 Q HN 0.768 nan 8.270 nan 0.000 0.497 113 Y N 0.705 121.094 120.300 0.148 0.000 2.483 113 Y HA -0.093 4.456 4.550 -0.000 0.000 0.291 113 Y C 0.971 176.976 175.900 0.175 0.000 1.143 113 Y CA 0.414 58.612 58.100 0.163 0.000 1.289 113 Y CB 0.396 38.938 38.460 0.136 0.000 0.983 113 Y HN 0.471 nan 8.280 nan 0.000 0.556 114 A N 0.349 123.309 122.820 0.233 0.000 2.319 114 A HA 0.564 4.884 4.320 -0.000 0.000 0.310 114 A C -2.610 174.999 177.584 0.041 0.000 1.152 114 A CA -1.847 50.265 52.037 0.125 0.000 0.783 114 A CB 0.447 19.494 19.000 0.079 0.000 1.184 114 A HN -0.111 nan 8.150 nan 0.000 0.474 115 P HA 0.280 nan 4.420 nan 0.000 0.269 115 P C 0.760 178.014 177.300 -0.077 0.000 1.209 115 P CA 0.296 63.370 63.100 -0.044 0.000 0.776 115 P CB 1.118 32.797 31.700 -0.034 0.000 0.876 116 A N 2.292 125.045 122.820 -0.112 0.000 2.044 116 A HA 0.024 4.344 4.320 -0.000 0.000 0.213 116 A C 2.010 179.535 177.584 -0.099 0.000 1.169 116 A CA 1.172 53.148 52.037 -0.102 0.000 0.724 116 A CB -0.311 18.620 19.000 -0.116 0.000 0.840 116 A HN 0.451 nan 8.150 nan 0.000 0.463 117 R N -1.153 119.271 120.500 -0.127 0.000 2.610 117 R HA 0.282 4.622 4.340 -0.000 0.000 0.171 117 R C 1.280 177.595 176.300 0.024 0.000 0.892 117 R CA 0.962 57.028 56.100 -0.056 0.000 1.086 117 R CB -0.541 29.718 30.300 -0.067 0.000 1.320 117 R HN 0.334 nan 8.270 nan 0.000 0.582 118 G N 0.446 109.296 108.800 0.085 0.000 2.616 118 G HA2 0.160 4.120 3.960 -0.000 0.000 0.268 118 G HA3 0.160 4.120 3.960 -0.000 0.000 0.268 118 G C 0.105 175.021 174.900 0.026 0.000 1.213 118 G CA -0.104 45.109 45.100 0.189 0.000 0.926 118 G HN 0.453 nan 8.290 nan 0.000 0.523 119 R N -1.560 118.915 120.500 -0.042 0.000 2.235 119 R HA 0.140 4.480 4.340 -0.000 0.000 0.213 119 R C -0.456 175.595 176.300 -0.415 0.000 1.059 119 R CA 0.580 56.508 56.100 -0.286 0.000 0.997 119 R CB -0.083 29.959 30.300 -0.431 0.000 0.884 119 R HN 0.226 nan 8.270 nan 0.000 0.462 120 F N 0.347 120.360 119.950 0.105 0.000 2.588 120 F HA 0.442 4.969 4.527 -0.000 0.000 0.314 120 F C -0.052 175.786 175.800 0.064 0.000 1.069 120 F CA -1.468 56.602 58.000 0.117 0.000 0.931 120 F CB 1.736 40.813 39.000 0.129 0.000 1.260 120 F HN -0.328 nan 8.300 nan 0.000 0.465 121 K N 2.459 123.019 120.400 0.266 0.000 2.281 121 K HA 0.554 4.874 4.320 -0.000 0.000 0.272 121 K C -1.300 175.312 176.600 0.019 0.000 1.048 121 K CA -0.300 56.023 56.287 0.059 0.000 0.898 121 K CB 1.177 33.712 32.500 0.058 0.000 1.128 121 K HN 0.453 nan 8.250 nan 0.000 0.460 122 V N 5.641 125.509 119.914 -0.076 0.000 2.435 122 V HA 0.352 4.472 4.120 -0.000 0.000 0.290 122 V C -0.751 175.185 176.094 -0.265 0.000 1.030 122 V CA -0.868 61.378 62.300 -0.090 0.000 0.881 122 V CB 0.929 32.760 31.823 0.014 0.000 0.983 122 V HN 0.495 nan 8.190 nan 0.000 0.445 123 Y N 4.369 124.518 120.300 -0.251 0.000 2.335 123 Y HA 0.565 5.115 4.550 -0.000 0.000 0.338 123 Y C -0.074 175.818 175.900 -0.012 0.000 0.977 123 Y CA -0.804 57.193 58.100 -0.172 0.000 1.114 123 Y CB 1.753 40.018 38.460 -0.325 0.000 1.182 123 Y HN 0.391 nan 8.280 nan 0.000 0.463 124 L N 6.467 127.781 121.223 0.153 0.000 2.316 124 L HA 0.574 4.914 4.340 -0.000 0.000 0.280 124 L C -1.343 175.631 176.870 0.173 0.000 1.006 124 L CA -0.472 54.460 54.840 0.153 0.000 0.836 124 L CB 0.541 42.646 42.059 0.077 0.000 1.221 124 L HN 0.665 nan 8.230 nan 0.000 0.418 125 I N 4.608 125.304 120.570 0.209 0.000 2.354 125 I HA 0.254 4.424 4.170 -0.000 0.000 0.286 125 I C -0.395 175.808 176.117 0.144 0.000 1.007 125 I CA -0.724 60.682 61.300 0.177 0.000 1.167 125 I CB 1.575 39.696 38.000 0.201 0.000 1.320 125 I HN 0.440 nan 8.210 nan 0.000 0.458 126 D N 6.763 127.225 120.400 0.103 0.000 2.302 126 D HA 0.084 4.724 4.640 -0.000 0.000 0.248 126 D C 0.397 176.744 176.300 0.078 0.000 1.094 126 D CA -0.037 54.017 54.000 0.089 0.000 0.897 126 D CB 0.754 41.589 40.800 0.059 0.000 1.200 126 D HN 0.387 nan 8.370 nan 0.000 0.429 127 E N 0.420 120.686 120.200 0.110 0.000 2.183 127 E HA -0.174 4.176 4.350 -0.000 0.000 0.196 127 E C 0.981 177.601 176.600 0.033 0.000 1.364 127 E CA 0.130 56.595 56.400 0.108 0.000 0.700 127 E CB -1.436 28.266 29.700 0.002 0.000 1.106 127 E HN 0.368 nan 8.360 nan 0.000 0.347 128 V N 1.428 121.432 119.914 0.151 0.000 2.688 128 V HA -0.282 3.838 4.120 -0.000 0.000 0.256 128 V C 2.365 178.584 176.094 0.209 0.000 1.084 128 V CA 2.474 64.864 62.300 0.150 0.000 1.103 128 V CB -0.500 31.443 31.823 0.199 0.000 0.688 128 V HN 0.675 nan 8.190 nan 0.000 0.480 129 H N -1.411 117.778 119.070 0.200 0.000 2.546 129 H HA -0.003 4.552 4.556 -0.000 0.000 0.277 129 H C 1.658 177.112 175.328 0.210 0.000 1.004 129 H CA 1.111 57.340 56.048 0.302 0.000 1.231 129 H CB -0.420 29.455 29.762 0.188 0.000 1.382 129 H HN 0.480 nan 8.280 nan 0.000 0.580 130 M N 1.104 120.447 119.600 -0.427 0.000 2.494 130 M HA 0.210 4.690 4.480 -0.000 0.000 0.232 130 M C 0.187 176.307 176.300 -0.299 0.000 1.137 130 M CA -0.087 55.002 55.300 -0.351 0.000 1.012 130 M CB 0.421 32.792 32.600 -0.381 0.000 1.567 130 M HN 0.055 nan 8.290 nan 0.000 0.486 131 L N 0.573 121.524 121.223 -0.454 0.000 2.452 131 L HA 0.111 4.451 4.340 -0.000 0.000 0.267 131 L C 1.087 177.526 176.870 -0.719 0.000 1.188 131 L CA -0.437 54.040 54.840 -0.606 0.000 0.821 131 L CB 0.674 42.261 42.059 -0.787 0.000 1.102 131 L HN 0.256 nan 8.230 nan 0.000 0.470 132 S N 1.844 117.292 115.700 -0.420 0.000 2.600 132 S HA 0.099 4.569 4.470 -0.000 0.000 0.265 132 S C 1.022 175.461 174.600 -0.267 0.000 1.325 132 S CA -0.416 57.638 58.200 -0.243 0.000 1.002 132 S CB 0.985 64.138 63.200 -0.079 0.000 0.921 132 S HN 0.705 nan 8.310 nan 0.000 0.554 133 R N -0.188 120.302 120.500 -0.016 0.000 2.120 133 R HA -0.160 4.180 4.340 -0.000 0.000 0.234 133 R C 2.217 178.595 176.300 0.131 0.000 1.123 133 R CA 1.788 57.983 56.100 0.160 0.000 0.975 133 R CB -0.743 29.653 30.300 0.159 0.000 0.866 133 R HN 0.962 nan 8.270 nan 0.000 0.446 134 H N -0.181 118.887 119.070 -0.003 0.000 2.290 134 H HA -0.041 4.515 4.556 -0.000 0.000 0.298 134 H C 1.926 177.249 175.328 -0.009 0.000 1.087 134 H CA 2.594 58.641 56.048 -0.002 0.000 1.291 134 H CB -0.219 29.532 29.762 -0.020 0.000 1.369 134 H HN 0.081 nan 8.280 nan 0.000 0.492 135 S N -0.283 115.372 115.700 -0.076 0.000 2.383 135 S HA -0.096 4.374 4.470 -0.000 0.000 0.227 135 S C 1.871 176.423 174.600 -0.079 0.000 1.026 135 S CA 0.907 59.023 58.200 -0.140 0.000 0.981 135 S CB -0.389 62.737 63.200 -0.124 0.000 0.818 135 S HN 0.290 nan 8.310 nan 0.000 0.472 136 F N 2.846 122.752 119.950 -0.073 0.000 2.065 136 F HA -0.119 4.408 4.527 -0.000 0.000 0.298 136 F C 2.329 178.063 175.800 -0.110 0.000 1.112 136 F CA 0.744 58.698 58.000 -0.076 0.000 1.212 136 F CB -0.984 37.990 39.000 -0.042 0.000 0.975 136 F HN 0.218 nan 8.300 nan 0.000 0.476 137 N N 0.023 118.780 118.700 0.095 0.000 2.223 137 N HA -0.123 4.617 4.740 -0.000 0.000 0.185 137 N C 1.994 177.453 175.510 -0.086 0.000 1.016 137 N CA 1.201 54.242 53.050 -0.014 0.000 0.863 137 N CB -0.458 38.011 38.487 -0.029 0.000 0.983 137 N HN 0.266 nan 8.380 nan 0.000 0.429 138 A N 1.324 124.053 122.820 -0.153 0.000 1.877 138 A HA -0.115 4.205 4.320 -0.000 0.000 0.216 138 A C 2.257 179.754 177.584 -0.145 0.000 1.186 138 A CA 0.969 52.906 52.037 -0.167 0.000 0.620 138 A CB -0.754 18.120 19.000 -0.211 0.000 0.822 138 A HN 0.223 nan 8.150 nan 0.000 0.443 139 L N -0.310 120.824 121.223 -0.148 0.000 1.994 139 L HA -0.121 4.219 4.340 -0.000 0.000 0.208 139 L C 2.279 179.016 176.870 -0.222 0.000 1.071 139 L CA 1.801 56.492 54.840 -0.248 0.000 0.745 139 L CB -0.560 41.392 42.059 -0.178 0.000 0.892 139 L HN 0.457 nan 8.230 nan 0.000 0.431 140 L N -0.276 120.877 121.223 -0.116 0.000 1.978 140 L HA -0.351 3.989 4.340 -0.000 0.000 0.218 140 L C 2.690 179.507 176.870 -0.088 0.000 1.075 140 L CA 2.412 57.196 54.840 -0.093 0.000 0.767 140 L CB -0.507 41.514 42.059 -0.062 0.000 0.890 140 L HN 0.441 nan 8.230 nan 0.000 0.434 141 K N -1.114 119.241 120.400 -0.076 0.000 2.089 141 K HA -0.230 4.090 4.320 -0.000 0.000 0.210 141 K C 1.800 178.375 176.600 -0.042 0.000 1.048 141 K CA 2.379 58.636 56.287 -0.051 0.000 0.926 141 K CB -0.076 32.398 32.500 -0.043 0.000 0.714 141 K HN 0.406 nan 8.250 nan 0.000 0.448 142 T N 1.206 115.713 114.554 -0.079 0.000 2.857 142 T HA -0.026 4.324 4.350 -0.000 0.000 0.266 142 T C 1.629 176.306 174.700 -0.038 0.000 1.048 142 T CA 0.885 62.956 62.100 -0.047 0.000 1.139 142 T CB 0.016 68.800 68.868 -0.140 0.000 0.874 142 T HN 0.166 nan 8.240 nan 0.000 0.455 143 L N 0.619 121.784 121.223 -0.097 0.000 2.291 143 L HA 0.030 4.370 4.340 -0.000 0.000 0.214 143 L C 2.459 179.324 176.870 -0.008 0.000 1.120 143 L CA 1.094 55.944 54.840 0.016 0.000 0.799 143 L CB -0.449 41.605 42.059 -0.008 0.000 0.925 143 L HN 0.346 nan 8.230 nan 0.000 0.446 144 E N -0.231 119.946 120.200 -0.038 0.000 2.170 144 E HA -0.076 4.274 4.350 -0.000 0.000 0.191 144 E C 0.922 177.485 176.600 -0.061 0.000 0.981 144 E CA 0.415 56.786 56.400 -0.047 0.000 0.830 144 E CB 0.338 30.017 29.700 -0.036 0.000 0.775 144 E HN 0.253 nan 8.360 nan 0.000 0.470 145 E N 1.291 121.469 120.200 -0.037 0.000 3.406 145 E HA 0.156 4.506 4.350 -0.000 0.000 0.210 145 E C -2.585 174.020 176.600 0.008 0.000 1.167 145 E CA -2.179 54.209 56.400 -0.021 0.000 1.132 145 E CB 0.818 30.522 29.700 0.007 0.000 1.309 145 E HN -0.072 nan 8.360 nan 0.000 0.424 146 P HA -0.052 nan 4.420 nan 0.000 0.242 146 P C -2.493 174.854 177.300 0.077 0.000 1.116 146 P CA -0.340 62.738 63.100 -0.037 0.000 0.954 146 P CB -0.360 31.164 31.700 -0.294 0.000 0.908 147 P HA 0.030 nan 4.420 nan 0.000 0.264 147 P C 0.127 177.530 177.300 0.173 0.000 1.193 147 P CA 0.275 63.548 63.100 0.288 0.000 0.763 147 P CB 0.472 32.447 31.700 0.459 0.000 0.810 148 E N 2.678 122.902 120.200 0.040 0.000 2.349 148 E HA 0.100 4.450 4.350 -0.000 0.000 0.262 148 E C 0.509 177.051 176.600 -0.097 0.000 1.088 148 E CA -0.012 56.315 56.400 -0.122 0.000 0.899 148 E CB 0.088 29.556 29.700 -0.387 0.000 1.044 148 E HN 0.496 nan 8.360 nan 0.000 0.420 149 H N -0.587 118.686 119.070 0.338 0.000 3.863 149 H HA -0.133 4.423 4.556 -0.000 0.000 0.160 149 H C -0.586 174.975 175.328 0.389 0.000 0.870 149 H CA 0.932 57.200 56.048 0.367 0.000 1.247 149 H CB -1.955 27.916 29.762 0.183 0.000 0.921 149 H HN 0.157 nan 8.280 nan 0.000 0.421 150 V N 2.377 122.507 119.914 0.361 0.000 2.444 150 V HA 0.484 4.604 4.120 -0.000 0.000 0.294 150 V C 0.256 176.420 176.094 0.117 0.000 1.022 150 V CA -0.844 61.578 62.300 0.203 0.000 0.850 150 V CB 2.588 34.487 31.823 0.126 0.000 0.992 150 V HN 0.009 nan 8.190 nan 0.000 0.426 151 K N 3.885 124.285 120.400 -0.000 0.000 2.316 151 K HA 0.646 4.966 4.320 -0.000 0.000 0.251 151 K C -1.337 175.190 176.600 -0.123 0.000 0.934 151 K CA -0.461 55.834 56.287 0.012 0.000 0.802 151 K CB 2.445 34.926 32.500 -0.031 0.000 1.171 151 K HN 0.436 nan 8.250 nan 0.000 0.426 152 F N 2.262 122.328 119.950 0.193 0.000 2.426 152 F HA 0.413 4.939 4.527 -0.000 0.000 0.348 152 F C 0.094 176.020 175.800 0.209 0.000 1.124 152 F CA -0.743 57.367 58.000 0.183 0.000 1.008 152 F CB 1.096 40.155 39.000 0.098 0.000 1.139 152 F HN 0.082 nan 8.300 nan 0.000 0.452 153 L N 5.960 127.394 121.223 0.352 0.000 2.318 153 L HA 0.507 4.847 4.340 -0.000 0.000 0.277 153 L C -0.781 176.289 176.870 0.334 0.000 1.008 153 L CA -0.450 54.602 54.840 0.355 0.000 0.846 153 L CB 0.889 43.115 42.059 0.279 0.000 1.220 153 L HN 0.478 nan 8.230 nan 0.000 0.423 154 L N 2.804 124.210 121.223 0.304 0.000 2.334 154 L HA 0.899 5.239 4.340 -0.000 0.000 0.275 154 L C 0.182 177.222 176.870 0.283 0.000 1.036 154 L CA -0.524 54.465 54.840 0.249 0.000 0.807 154 L CB 1.770 43.930 42.059 0.169 0.000 1.231 154 L HN 0.648 nan 8.230 nan 0.000 0.438 155 A N 1.192 124.156 122.820 0.239 0.000 2.435 155 A HA 0.857 5.177 4.320 -0.000 0.000 0.304 155 A C -0.626 177.078 177.584 0.201 0.000 1.064 155 A CA -0.510 51.669 52.037 0.236 0.000 0.727 155 A CB 2.209 21.323 19.000 0.191 0.000 1.284 155 A HN 0.616 nan 8.150 nan 0.000 0.415 156 T N -0.536 114.129 114.554 0.186 0.000 3.003 156 T HA 0.427 4.777 4.350 -0.000 0.000 0.354 156 T C 0.516 175.284 174.700 0.114 0.000 1.651 156 T CA 0.430 62.649 62.100 0.198 0.000 1.103 156 T CB 0.878 69.883 68.868 0.230 0.000 1.450 156 T HN 1.421 nan 8.240 nan 0.000 0.484 157 T N -0.369 114.233 114.554 0.081 0.000 3.081 157 T HA 0.283 4.633 4.350 -0.000 0.000 0.250 157 T C 0.327 174.975 174.700 -0.085 0.000 1.100 157 T CA 0.272 62.385 62.100 0.022 0.000 1.038 157 T CB 0.087 68.986 68.868 0.051 0.000 0.962 157 T HN 0.457 nan 8.240 nan 0.000 0.516 158 D N 1.793 122.043 120.400 -0.251 0.000 2.621 158 D HA 0.252 4.892 4.640 -0.000 0.000 0.274 158 D C -1.914 174.257 176.300 -0.215 0.000 1.215 158 D CA -2.012 51.804 54.000 -0.306 0.000 0.810 158 D CB 1.682 42.154 40.800 -0.547 0.000 1.248 158 D HN 0.014 nan 8.370 nan 0.000 0.517 159 P HA -0.197 nan 4.420 nan 0.000 0.217 159 P C 1.272 178.551 177.300 -0.034 0.000 1.148 159 P CA 0.988 64.073 63.100 -0.025 0.000 0.828 159 P CB 0.541 32.245 31.700 0.007 0.000 0.783 160 Q N -0.096 119.679 119.800 -0.041 0.000 2.170 160 Q HA -0.113 4.227 4.340 -0.000 0.000 0.203 160 Q C 1.885 177.864 176.000 -0.034 0.000 0.976 160 Q CA 0.983 56.764 55.803 -0.036 0.000 0.858 160 Q CB -0.310 28.410 28.738 -0.030 0.000 0.907 160 Q HN 0.343 nan 8.270 nan 0.000 0.433 161 K N 0.427 120.810 120.400 -0.029 0.000 2.515 161 K HA 0.039 4.359 4.320 -0.000 0.000 0.196 161 K C 0.692 177.321 176.600 0.049 0.000 1.038 161 K CA 0.345 56.655 56.287 0.038 0.000 0.967 161 K CB -0.055 32.506 32.500 0.101 0.000 0.780 161 K HN 0.232 nan 8.250 nan 0.000 0.483 162 L N 2.310 123.522 121.223 -0.019 0.000 2.312 162 L HA 0.208 4.548 4.340 -0.000 0.000 0.281 162 L C -2.177 174.535 176.870 -0.263 0.000 1.070 162 L CA -2.157 52.593 54.840 -0.149 0.000 0.805 162 L CB 1.008 43.026 42.059 -0.070 0.000 1.174 162 L HN -0.218 nan 8.230 nan 0.000 0.434 163 P HA -0.091 nan 4.420 nan 0.000 0.261 163 P C 0.866 178.027 177.300 -0.232 0.000 1.183 163 P CA -0.047 62.831 63.100 -0.370 0.000 0.761 163 P CB 0.605 31.990 31.700 -0.524 0.000 0.785 164 V N 1.856 121.678 119.914 -0.153 0.000 2.828 164 V HA -0.228 3.892 4.120 -0.000 0.000 0.260 164 V C 1.652 177.684 176.094 -0.104 0.000 1.101 164 V CA 2.316 64.549 62.300 -0.111 0.000 1.123 164 V CB -2.064 29.711 31.823 -0.080 0.000 0.704 164 V HN 0.601 nan 8.190 nan 0.000 0.493 165 T N -1.527 112.958 114.554 -0.115 0.000 2.904 165 T HA 0.036 4.386 4.350 -0.000 0.000 0.267 165 T C 1.804 176.446 174.700 -0.096 0.000 1.059 165 T CA 1.742 63.786 62.100 -0.093 0.000 1.137 165 T CB -0.440 68.375 68.868 -0.090 0.000 0.879 165 T HN 0.521 nan 8.240 nan 0.000 0.467 166 I N 0.254 120.746 120.570 -0.130 0.000 2.429 166 I HA 0.138 4.308 4.170 -0.000 0.000 0.247 166 I C 2.450 178.502 176.117 -0.109 0.000 1.099 166 I CA 0.429 61.657 61.300 -0.120 0.000 1.422 166 I CB -0.275 37.636 38.000 -0.147 0.000 1.112 166 I HN 0.141 nan 8.210 nan 0.000 0.430 167 L N 0.442 121.595 121.223 -0.117 0.000 2.043 167 L HA -0.290 4.050 4.340 -0.000 0.000 0.212 167 L C 2.689 179.494 176.870 -0.108 0.000 1.075 167 L CA 1.920 56.696 54.840 -0.107 0.000 0.752 167 L CB -0.263 41.739 42.059 -0.095 0.000 0.891 167 L HN 0.265 nan 8.230 nan 0.000 0.432 168 S N -0.778 114.867 115.700 -0.091 0.000 2.442 168 S HA -0.174 4.296 4.470 -0.000 0.000 0.236 168 S C 1.874 176.433 174.600 -0.069 0.000 1.007 168 S CA 1.005 59.159 58.200 -0.077 0.000 0.965 168 S CB -0.246 62.918 63.200 -0.059 0.000 0.773 168 S HN 0.445 nan 8.310 nan 0.000 0.504 169 R N -0.368 120.091 120.500 -0.067 0.000 2.359 169 R HA 0.367 4.707 4.340 -0.000 0.000 0.231 169 R C -0.198 176.008 176.300 -0.157 0.000 0.913 169 R CA 0.033 56.115 56.100 -0.029 0.000 1.075 169 R CB -0.104 30.226 30.300 0.051 0.000 1.087 169 R HN 0.363 nan 8.270 nan 0.000 0.515 170 C N -0.568 118.611 119.300 -0.202 0.000 2.486 170 C HA 0.483 4.942 4.460 -0.000 0.000 0.348 170 C C -0.552 174.223 174.990 -0.359 0.000 1.203 170 C CA -1.294 57.542 59.018 -0.303 0.000 1.911 170 C CB 1.215 28.809 27.740 -0.243 0.000 2.340 170 C HN 0.185 nan 8.230 nan 0.000 0.511 171 L N 2.196 123.121 121.223 -0.497 0.000 2.255 171 L HA 0.363 4.703 4.340 -0.000 0.000 0.289 171 L C -0.214 176.231 176.870 -0.709 0.000 1.046 171 L CA 0.571 55.027 54.840 -0.641 0.000 0.816 171 L CB 0.414 41.987 42.059 -0.810 0.000 1.197 171 L HN 0.695 nan 8.230 nan 0.000 0.427 172 Q N 4.518 123.883 119.800 -0.725 0.000 2.256 172 Q HA 0.511 4.851 4.340 -0.000 0.000 0.254 172 Q C -1.449 173.964 176.000 -0.978 0.000 0.916 172 Q CA 0.063 55.444 55.803 -0.705 0.000 0.932 172 Q CB 1.477 29.921 28.738 -0.489 0.000 1.207 172 Q HN 0.437 nan 8.270 nan 0.000 0.426 173 F N 1.067 120.731 119.950 -0.476 0.000 2.518 173 F HA 0.306 4.833 4.527 -0.000 0.000 0.323 173 F C -0.479 175.153 175.800 -0.279 0.000 1.129 173 F CA -0.879 56.947 58.000 -0.290 0.000 0.920 173 F CB 1.360 40.272 39.000 -0.146 0.000 1.160 173 F HN 0.517 nan 8.300 nan 0.000 0.440 174 H N 3.768 122.993 119.070 0.258 0.000 2.690 174 H HA 0.460 5.016 4.556 -0.000 0.000 0.289 174 H C -0.722 174.788 175.328 0.303 0.000 1.089 174 H CA -0.629 55.555 56.048 0.226 0.000 1.299 174 H CB 0.658 30.515 29.762 0.159 0.000 1.405 174 H HN 0.354 nan 8.280 nan 0.000 0.463 175 L N 3.197 124.601 121.223 0.302 0.000 2.371 175 L HA 0.232 4.572 4.340 -0.000 0.000 0.272 175 L C 0.715 177.712 176.870 0.213 0.000 1.124 175 L CA 0.123 55.107 54.840 0.241 0.000 0.816 175 L CB 0.717 42.864 42.059 0.146 0.000 1.129 175 L HN 0.624 nan 8.230 nan 0.000 0.448 176 K N 1.421 121.943 120.400 0.203 0.000 2.617 176 K HA 0.852 5.172 4.320 -0.000 0.000 0.298 176 K C -0.628 176.024 176.600 0.087 0.000 0.984 176 K CA -0.689 55.675 56.287 0.128 0.000 1.299 176 K CB 0.276 32.838 32.500 0.104 0.000 1.608 176 K HN 0.616 nan 8.250 nan 0.000 0.730 177 A N 0.464 123.321 122.820 0.062 0.000 2.384 177 A HA 0.625 4.945 4.320 -0.000 0.000 0.312 177 A C -1.135 176.470 177.584 0.035 0.000 1.113 177 A CA -0.811 51.251 52.037 0.043 0.000 0.779 177 A CB 0.630 19.648 19.000 0.031 0.000 1.307 177 A HN 0.458 nan 8.150 nan 0.000 0.436 178 L N 1.295 122.533 121.223 0.025 0.000 2.307 178 L HA 0.328 4.668 4.340 -0.000 0.000 0.282 178 L C 0.098 176.975 176.870 0.012 0.000 1.051 178 L CA -0.778 54.073 54.840 0.018 0.000 0.804 178 L CB 1.157 43.224 42.059 0.013 0.000 1.197 178 L HN 0.848 nan 8.230 nan 0.000 0.431 179 D N 1.453 121.857 120.400 0.008 0.000 2.362 179 D HA 0.019 4.659 4.640 -0.000 0.000 0.238 179 D C 0.934 177.236 176.300 0.004 0.000 1.212 179 D CA -0.181 53.821 54.000 0.003 0.000 0.902 179 D CB 1.289 42.088 40.800 -0.001 0.000 1.180 179 D HN 0.207 nan 8.370 nan 0.000 0.445 180 V N 1.740 121.655 119.914 0.001 0.000 2.220 180 V HA -0.248 3.872 4.120 -0.000 0.000 0.246 180 V C 2.305 178.405 176.094 0.009 0.000 1.049 180 V CA 2.424 64.725 62.300 0.003 0.000 1.003 180 V CB -0.829 30.993 31.823 -0.002 0.000 0.634 180 V HN 0.727 nan 8.190 nan 0.000 0.444 181 E N -0.731 119.476 120.200 0.012 0.000 2.130 181 E HA -0.330 4.020 4.350 -0.000 0.000 0.196 181 E C 2.308 178.932 176.600 0.040 0.000 0.998 181 E CA 1.729 58.146 56.400 0.029 0.000 0.806 181 E CB -0.131 29.585 29.700 0.027 0.000 0.738 181 E HN 0.608 nan 8.360 nan 0.000 0.459 182 Q N -0.110 119.699 119.800 0.015 0.000 2.112 182 Q HA -0.201 4.139 4.340 -0.000 0.000 0.206 182 Q C 2.097 178.116 176.000 0.031 0.000 0.987 182 Q CA 1.636 57.446 55.803 0.010 0.000 0.858 182 Q CB -0.010 28.726 28.738 -0.002 0.000 0.905 182 Q HN 0.419 nan 8.270 nan 0.000 0.420 183 I N -0.232 120.349 120.570 0.019 0.000 2.277 183 I HA -0.226 3.944 4.170 -0.000 0.000 0.243 183 I C 2.600 178.718 176.117 0.001 0.000 1.094 183 I CA 0.543 61.846 61.300 0.005 0.000 1.393 183 I CB -0.413 37.585 38.000 -0.003 0.000 1.078 183 I HN 0.214 nan 8.210 nan 0.000 0.417 184 R N 0.971 121.478 120.500 0.012 0.000 2.112 184 R HA -0.294 4.046 4.340 -0.000 0.000 0.242 184 R C 2.353 178.651 176.300 -0.003 0.000 1.137 184 R CA 2.089 58.189 56.100 -0.000 0.000 0.944 184 R CB -1.142 29.171 30.300 0.021 0.000 0.857 184 R HN 0.441 nan 8.270 nan 0.000 0.435 185 H N -0.001 119.042 119.070 -0.045 0.000 2.422 185 H HA -0.151 4.405 4.556 -0.000 0.000 0.298 185 H C 1.951 177.246 175.328 -0.056 0.000 1.098 185 H CA 2.203 58.225 56.048 -0.044 0.000 1.315 185 H CB 0.288 30.030 29.762 -0.032 0.000 1.382 185 H HN 0.305 nan 8.280 nan 0.000 0.523 186 Q N 0.649 120.468 119.800 0.033 0.000 2.096 186 Q HA -0.023 4.317 4.340 -0.000 0.000 0.197 186 Q C 2.704 178.623 176.000 -0.134 0.000 0.964 186 Q CA 0.967 56.749 55.803 -0.035 0.000 0.838 186 Q CB -0.337 28.383 28.738 -0.031 0.000 0.906 186 Q HN 0.467 nan 8.270 nan 0.000 0.444 187 L N 0.498 121.632 121.223 -0.148 0.000 1.990 187 L HA -0.251 4.089 4.340 -0.000 0.000 0.213 187 L C 2.555 179.246 176.870 -0.298 0.000 1.072 187 L CA 2.067 56.779 54.840 -0.214 0.000 0.755 187 L CB -0.674 41.288 42.059 -0.161 0.000 0.889 187 L HN 0.450 nan 8.230 nan 0.000 0.432 188 E N -0.389 119.631 120.200 -0.300 0.000 2.035 188 E HA -0.357 3.993 4.350 -0.000 0.000 0.204 188 E C 2.264 178.633 176.600 -0.385 0.000 1.025 188 E CA 1.804 57.952 56.400 -0.421 0.000 0.835 188 E CB -0.289 29.201 29.700 -0.349 0.000 0.764 188 E HN 0.477 nan 8.360 nan 0.000 0.457 189 H N 0.383 119.224 119.070 -0.382 0.000 2.431 189 H HA -0.173 4.383 4.556 -0.000 0.000 0.297 189 H C 2.084 177.184 175.328 -0.380 0.000 1.115 189 H CA 1.925 57.779 56.048 -0.322 0.000 1.277 189 H CB -0.089 29.521 29.762 -0.255 0.000 1.372 189 H HN 0.290 nan 8.280 nan 0.000 0.516 190 I N 0.143 120.417 120.570 -0.494 0.000 2.406 190 I HA -0.217 3.953 4.170 -0.000 0.000 0.249 190 I C 2.488 178.281 176.117 -0.540 0.000 1.122 190 I CA 0.445 61.269 61.300 -0.793 0.000 1.431 190 I CB -0.055 37.340 38.000 -1.008 0.000 1.087 190 I HN 0.151 nan 8.210 nan 0.000 0.424 191 L N 0.314 121.283 121.223 -0.423 0.000 2.240 191 L HA -0.091 4.249 4.340 -0.000 0.000 0.211 191 L C 2.177 178.929 176.870 -0.196 0.000 1.106 191 L CA 0.673 55.346 54.840 -0.278 0.000 0.793 191 L CB -0.624 41.252 42.059 -0.306 0.000 0.927 191 L HN 0.296 nan 8.230 nan 0.000 0.446 192 N N 0.419 118.955 118.700 -0.273 0.000 2.092 192 N HA -0.202 4.538 4.740 -0.000 0.000 0.189 192 N C 1.760 177.079 175.510 -0.317 0.000 1.040 192 N CA 1.230 54.170 53.050 -0.182 0.000 0.845 192 N CB -0.113 38.257 38.487 -0.195 0.000 1.017 192 N HN 0.303 nan 8.380 nan 0.000 0.426 193 E N 0.554 120.515 120.200 -0.398 0.000 2.209 193 E HA -0.149 4.201 4.350 -0.000 0.000 0.196 193 E C 0.775 177.185 176.600 -0.317 0.000 0.993 193 E CA 0.856 57.036 56.400 -0.367 0.000 0.819 193 E CB 0.221 29.742 29.700 -0.297 0.000 0.745 193 E HN 0.186 nan 8.360 nan 0.000 0.477 194 E N -0.217 119.856 120.200 -0.212 0.000 2.489 194 E HA -0.040 4.310 4.350 -0.000 0.000 0.193 194 E C -0.554 176.043 176.600 -0.006 0.000 1.057 194 E CA 0.169 56.537 56.400 -0.053 0.000 0.866 194 E CB 0.124 29.846 29.700 0.037 0.000 0.916 194 E HN 0.275 nan 8.360 nan 0.000 0.500 195 H N -0.484 118.594 119.070 0.014 0.000 2.702 195 H HA -0.186 4.370 4.556 -0.000 0.000 0.328 195 H C -0.306 175.038 175.328 0.027 0.000 1.111 195 H CA 0.699 56.759 56.048 0.019 0.000 1.109 195 H CB -2.050 27.722 29.762 0.016 0.000 1.606 195 H HN 0.164 nan 8.280 nan 0.000 0.399 196 I N -0.066 120.582 120.570 0.130 0.000 2.582 196 I HA 0.469 4.639 4.170 -0.000 0.000 0.292 196 I C 0.557 176.745 176.117 0.118 0.000 1.066 196 I CA -0.897 60.462 61.300 0.098 0.000 1.053 196 I CB 2.071 40.110 38.000 0.064 0.000 1.241 196 I HN 0.434 nan 8.210 nan 0.000 0.421 197 A N 6.259 129.118 122.820 0.065 0.000 2.524 197 A HA 0.347 4.667 4.320 -0.000 0.000 0.250 197 A C -0.310 177.303 177.584 0.048 0.000 1.078 197 A CA 0.369 52.414 52.037 0.014 0.000 0.761 197 A CB -0.298 18.696 19.000 -0.010 0.000 1.012 197 A HN 0.848 nan 8.150 nan 0.000 0.500 198 H N 0.702 119.760 119.070 -0.019 0.000 2.961 198 H HA 0.646 5.202 4.556 -0.000 0.000 0.371 198 H C -1.263 174.051 175.328 -0.023 0.000 1.190 198 H CA -0.750 55.282 56.048 -0.027 0.000 1.138 198 H CB 1.234 30.971 29.762 -0.043 0.000 1.816 198 H HN 0.623 nan 8.280 nan 0.000 0.551 199 E N 1.472 121.715 120.200 0.071 0.000 2.249 199 E HA 0.253 4.603 4.350 -0.000 0.000 0.263 199 E C -1.917 174.747 176.600 0.106 0.000 0.950 199 E CA -2.305 54.112 56.400 0.028 0.000 0.827 199 E CB 2.491 32.199 29.700 0.013 0.000 1.220 199 E HN 0.365 nan 8.360 nan 0.000 0.411 200 P HA -0.084 nan 4.420 nan 0.000 0.213 200 P C 1.063 178.389 177.300 0.045 0.000 1.170 200 P CA 1.078 64.218 63.100 0.067 0.000 0.889 200 P CB 0.186 31.912 31.700 0.044 0.000 0.782 201 R N -0.228 120.290 120.500 0.031 0.000 2.200 201 R HA -0.113 4.227 4.340 -0.000 0.000 0.234 201 R C 1.914 178.225 176.300 0.019 0.000 1.127 201 R CA 1.324 57.438 56.100 0.022 0.000 0.989 201 R CB -0.641 29.669 30.300 0.016 0.000 0.869 201 R HN 0.079 nan 8.270 nan 0.000 0.459 202 A N 0.872 123.707 122.820 0.025 0.000 1.855 202 A HA -0.107 4.213 4.320 -0.000 0.000 0.215 202 A C 2.087 179.676 177.584 0.009 0.000 1.191 202 A CA 1.006 53.054 52.037 0.019 0.000 0.613 202 A CB -0.496 18.522 19.000 0.030 0.000 0.829 202 A HN 0.314 nan 8.150 nan 0.000 0.442 203 L N -0.420 120.810 121.223 0.011 0.000 2.191 203 L HA -0.233 4.107 4.340 -0.000 0.000 0.212 203 L C 2.863 179.726 176.870 -0.011 0.000 1.103 203 L CA 1.031 55.860 54.840 -0.018 0.000 0.769 203 L CB -0.620 41.415 42.059 -0.040 0.000 0.908 203 L HN 0.457 nan 8.230 nan 0.000 0.438 204 Q N 0.165 119.967 119.800 0.004 0.000 1.990 204 Q HA -0.142 4.198 4.340 -0.000 0.000 0.200 204 Q C 2.451 178.452 176.000 0.001 0.000 0.980 204 Q CA 1.327 57.133 55.803 0.006 0.000 0.832 204 Q CB -0.420 28.327 28.738 0.014 0.000 0.897 204 Q HN 0.500 nan 8.270 nan 0.000 0.427 205 L N 0.629 121.853 121.223 0.002 0.000 2.081 205 L HA -0.222 4.118 4.340 -0.000 0.000 0.212 205 L C 2.490 179.357 176.870 -0.005 0.000 1.080 205 L CA 0.896 55.736 54.840 -0.001 0.000 0.754 205 L CB -0.391 41.667 42.059 -0.001 0.000 0.893 205 L HN 0.192 nan 8.230 nan 0.000 0.433 206 L N -1.142 120.076 121.223 -0.008 0.000 2.072 206 L HA -0.155 4.185 4.340 -0.000 0.000 0.205 206 L C 2.792 179.654 176.870 -0.013 0.000 1.079 206 L CA 1.048 55.880 54.840 -0.013 0.000 0.752 206 L CB -0.541 41.505 42.059 -0.021 0.000 0.906 206 L HN 0.231 nan 8.230 nan 0.000 0.436 207 A N 0.139 122.951 122.820 -0.013 0.000 1.855 207 A HA -0.181 4.138 4.320 -0.000 0.000 0.215 207 A C 2.329 179.910 177.584 -0.005 0.000 1.191 207 A CA 1.279 53.310 52.037 -0.011 0.000 0.613 207 A CB -0.462 18.533 19.000 -0.008 0.000 0.829 207 A HN 0.293 nan 8.150 nan 0.000 0.442 208 R N -0.380 120.118 120.500 -0.003 0.000 2.127 208 R HA -0.104 4.236 4.340 -0.000 0.000 0.238 208 R C 2.372 178.672 176.300 -0.001 0.000 1.134 208 R CA 1.139 57.238 56.100 -0.001 0.000 0.975 208 R CB -0.471 29.828 30.300 -0.001 0.000 0.865 208 R HN 0.524 nan 8.270 nan 0.000 0.447 209 A N 1.594 124.413 122.820 -0.002 0.000 1.930 209 A HA 0.060 4.380 4.320 -0.000 0.000 0.217 209 A C 1.310 178.895 177.584 0.001 0.000 1.175 209 A CA 1.097 53.133 52.037 -0.001 0.000 0.627 209 A CB -0.180 18.818 19.000 -0.003 0.000 0.815 209 A HN 0.322 nan 8.150 nan 0.000 0.443 210 A N 0.962 123.781 122.820 -0.001 0.000 2.376 210 A HA 0.433 4.753 4.320 -0.000 0.000 0.298 210 A C -0.322 177.264 177.584 0.004 0.000 1.271 210 A CA -0.393 51.644 52.037 0.001 0.000 0.926 210 A CB -0.363 18.636 19.000 -0.002 0.000 1.141 210 A HN 0.491 nan 8.150 nan 0.000 0.539 211 E N 2.126 122.330 120.200 0.007 0.000 1.775 211 E HA 0.368 4.718 4.350 -0.000 0.000 0.266 211 E C 1.178 177.785 176.600 0.011 0.000 1.191 211 E CA 0.634 57.039 56.400 0.009 0.000 1.048 211 E CB 0.005 29.711 29.700 0.010 0.000 1.081 211 E HN 1.109 nan 8.360 nan 0.000 0.434 212 G N 2.784 111.590 108.800 0.010 0.000 2.184 212 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.264 212 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.264 212 G C 0.298 175.207 174.900 0.014 0.000 0.975 212 G CA 0.491 45.599 45.100 0.013 0.000 0.642 212 G HN 0.569 nan 8.290 nan 0.000 0.536 213 S N -0.476 115.231 115.700 0.011 0.000 2.474 213 S HA 0.667 5.137 4.470 -0.000 0.000 0.321 213 S C 0.889 175.492 174.600 0.005 0.000 1.080 213 S CA -0.327 57.879 58.200 0.010 0.000 1.106 213 S CB 2.101 65.308 63.200 0.012 0.000 0.984 213 S HN 0.631 nan 8.310 nan 0.000 0.464 214 L N 3.297 124.522 121.223 0.003 0.000 2.156 214 L HA 0.137 4.477 4.340 -0.000 0.000 0.208 214 L C 2.573 179.447 176.870 0.006 0.000 1.095 214 L CA 1.466 56.306 54.840 -0.000 0.000 0.770 214 L CB -0.805 41.254 42.059 -0.000 0.000 0.914 214 L HN 0.912 nan 8.230 nan 0.000 0.439 215 R N -0.345 120.161 120.500 0.009 0.000 2.097 215 R HA -0.205 4.135 4.340 -0.000 0.000 0.236 215 R C 1.855 178.163 176.300 0.015 0.000 1.135 215 R CA 2.288 58.396 56.100 0.014 0.000 0.934 215 R CB -0.348 29.957 30.300 0.010 0.000 0.846 215 R HN 0.402 nan 8.270 nan 0.000 0.431 216 D N 0.054 120.460 120.400 0.011 0.000 2.117 216 D HA -0.109 4.530 4.640 -0.000 0.000 0.198 216 D C 1.819 178.121 176.300 0.004 0.000 0.982 216 D CA 1.288 55.294 54.000 0.009 0.000 0.828 216 D CB -0.386 40.419 40.800 0.009 0.000 0.967 216 D HN 0.414 nan 8.370 nan 0.000 0.464 217 A N 1.241 124.061 122.820 -0.001 0.000 1.915 217 A HA -0.217 4.103 4.320 -0.000 0.000 0.220 217 A C 2.401 179.976 177.584 -0.016 0.000 1.198 217 A CA 1.381 53.411 52.037 -0.011 0.000 0.647 217 A CB -0.955 18.034 19.000 -0.018 0.000 0.825 217 A HN 0.236 nan 8.150 nan 0.000 0.456 218 L N -0.107 121.111 121.223 -0.009 0.000 2.109 218 L HA -0.131 4.209 4.340 -0.000 0.000 0.207 218 L C 2.973 179.849 176.870 0.011 0.000 1.086 218 L CA 1.425 56.263 54.840 -0.004 0.000 0.760 218 L CB -0.459 41.615 42.059 0.025 0.000 0.910 218 L HN 0.621 nan 8.230 nan 0.000 0.437 219 S N 0.045 115.754 115.700 0.015 0.000 2.419 219 S HA -0.113 4.357 4.470 -0.000 0.000 0.233 219 S C 1.904 176.510 174.600 0.009 0.000 1.016 219 S CA 0.828 59.038 58.200 0.017 0.000 0.974 219 S CB -0.347 62.862 63.200 0.016 0.000 0.786 219 S HN 0.380 nan 8.310 nan 0.000 0.492 220 L N 0.730 121.954 121.223 0.003 0.000 2.095 220 L HA -0.003 4.337 4.340 -0.000 0.000 0.204 220 L C 2.904 179.772 176.870 -0.003 0.000 1.080 220 L CA 1.417 56.257 54.840 -0.000 0.000 0.759 220 L CB -1.159 40.898 42.059 -0.004 0.000 0.914 220 L HN 0.338 nan 8.230 nan 0.000 0.439 221 T N -0.914 113.634 114.554 -0.010 0.000 2.803 221 T HA -0.181 4.169 4.350 -0.000 0.000 0.269 221 T C 1.391 176.089 174.700 -0.003 0.000 1.052 221 T CA 1.291 63.381 62.100 -0.016 0.000 1.136 221 T CB -0.201 68.643 68.868 -0.040 0.000 0.864 221 T HN 0.299 nan 8.240 nan 0.000 0.467 222 D N 0.569 120.973 120.400 0.007 0.000 2.234 222 D HA -0.021 4.619 4.640 -0.000 0.000 0.205 222 D C 2.180 178.488 176.300 0.014 0.000 0.962 222 D CA 0.683 54.693 54.000 0.017 0.000 0.855 222 D CB -0.016 40.801 40.800 0.027 0.000 0.951 222 D HN 0.228 nan 8.370 nan 0.000 0.500 223 Q N -0.145 119.660 119.800 0.009 0.000 2.425 223 Q HA 0.145 4.485 4.340 -0.000 0.000 0.204 223 Q C 1.588 177.591 176.000 0.005 0.000 0.933 223 Q CA 0.054 55.862 55.803 0.007 0.000 0.939 223 Q CB 0.557 29.298 28.738 0.006 0.000 1.044 223 Q HN 0.182 nan 8.270 nan 0.000 0.513 224 A N -0.180 122.642 122.820 0.004 0.000 2.030 224 A HA 0.043 4.363 4.320 -0.000 0.000 0.215 224 A C 1.925 179.513 177.584 0.007 0.000 1.164 224 A CA 0.296 52.335 52.037 0.003 0.000 0.697 224 A CB -0.146 18.855 19.000 0.001 0.000 0.827 224 A HN 0.282 nan 8.150 nan 0.000 0.457 225 I N -0.489 120.087 120.570 0.009 0.000 2.546 225 I HA -0.153 4.017 4.170 -0.000 0.000 0.255 225 I C 2.703 178.828 176.117 0.013 0.000 1.163 225 I CA 0.894 62.202 61.300 0.013 0.000 1.457 225 I CB -0.063 37.948 38.000 0.018 0.000 1.092 225 I HN 0.356 nan 8.210 nan 0.000 0.434 226 A N 0.342 123.169 122.820 0.011 0.000 1.911 226 A HA -0.116 4.204 4.320 -0.000 0.000 0.212 226 A C 2.461 180.049 177.584 0.007 0.000 1.189 226 A CA 1.304 53.347 52.037 0.010 0.000 0.639 226 A CB -0.629 18.377 19.000 0.010 0.000 0.839 226 A HN 0.415 nan 8.150 nan 0.000 0.449 227 S N 0.113 115.816 115.700 0.005 0.000 2.345 227 S HA 0.177 4.647 4.470 -0.000 0.000 0.220 227 S C 1.528 176.129 174.600 0.002 0.000 1.031 227 S CA 1.260 59.462 58.200 0.003 0.000 0.996 227 S CB -1.069 62.132 63.200 0.001 0.000 0.882 227 S HN 0.698 nan 8.310 nan 0.000 0.445 228 G N 1.409 110.211 108.800 0.003 0.000 2.546 228 G HA2 0.394 4.354 3.960 -0.000 0.000 0.239 228 G HA3 0.394 4.354 3.960 -0.000 0.000 0.239 228 G C -0.661 174.241 174.900 0.004 0.000 1.476 228 G CA -0.387 44.714 45.100 0.002 0.000 1.064 228 G HN 0.429 nan 8.290 nan 0.000 0.561 229 D N -0.479 119.923 120.400 0.004 0.000 2.398 229 D HA 0.301 4.941 4.640 -0.000 0.000 0.247 229 D C 0.960 177.265 176.300 0.009 0.000 1.227 229 D CA 0.068 54.071 54.000 0.005 0.000 0.980 229 D CB 0.552 41.354 40.800 0.003 0.000 1.106 229 D HN 0.403 nan 8.370 nan 0.000 0.493 230 G N 0.446 109.253 108.800 0.011 0.000 3.090 230 G HA2 0.085 4.045 3.960 -0.000 0.000 0.259 230 G HA3 0.085 4.045 3.960 -0.000 0.000 0.259 230 G C -0.014 174.897 174.900 0.019 0.000 0.797 230 G CA 0.108 45.218 45.100 0.016 0.000 2.032 230 G HN 0.205 nan 8.290 nan 0.000 0.614 231 Q N -0.116 119.694 119.800 0.017 0.000 2.268 231 Q HA 0.216 4.556 4.340 -0.000 0.000 0.266 231 Q C -1.095 174.918 176.000 0.023 0.000 1.006 231 Q CA -0.743 55.072 55.803 0.020 0.000 0.824 231 Q CB 3.026 31.770 28.738 0.010 0.000 1.306 231 Q HN 0.063 nan 8.270 nan 0.000 0.424 232 V N 2.989 122.926 119.914 0.037 0.000 2.276 232 V HA 0.136 4.256 4.120 -0.000 0.000 0.249 232 V C 0.042 176.159 176.094 0.039 0.000 1.160 232 V CA 0.009 62.330 62.300 0.036 0.000 1.042 232 V CB -0.251 31.596 31.823 0.041 0.000 1.224 232 V HN 0.715 nan 8.190 nan 0.000 0.496 233 S N 2.037 117.748 115.700 0.020 0.000 2.608 233 S HA 0.344 4.813 4.470 -0.000 0.000 0.291 233 S C 1.177 175.782 174.600 0.008 0.000 1.146 233 S CA -0.440 57.767 58.200 0.012 0.000 1.043 233 S CB 1.635 64.836 63.200 0.003 0.000 1.037 233 S HN 0.477 nan 8.310 nan 0.000 0.520 234 T N 1.423 115.981 114.554 0.006 0.000 2.699 234 T HA -0.211 4.139 4.350 -0.000 0.000 0.268 234 T C 1.796 176.494 174.700 -0.002 0.000 1.036 234 T CA 2.006 64.108 62.100 0.003 0.000 1.147 234 T CB -0.483 68.386 68.868 0.002 0.000 0.862 234 T HN 0.772 nan 8.240 nan 0.000 0.446 235 Q N 0.243 120.041 119.800 -0.004 0.000 2.096 235 Q HA -0.150 4.190 4.340 -0.000 0.000 0.204 235 Q C 2.433 178.429 176.000 -0.006 0.000 0.982 235 Q CA 1.604 57.403 55.803 -0.007 0.000 0.850 235 Q CB -0.237 28.497 28.738 -0.006 0.000 0.901 235 Q HN 0.588 nan 8.270 nan 0.000 0.422 236 A N -0.456 122.362 122.820 -0.003 0.000 1.854 236 A HA -0.089 4.231 4.320 -0.000 0.000 0.214 236 A C 2.189 179.770 177.584 -0.004 0.000 1.192 236 A CA 1.252 53.287 52.037 -0.002 0.000 0.611 236 A CB -0.724 18.276 19.000 0.001 0.000 0.832 236 A HN 0.275 nan 8.150 nan 0.000 0.442 237 V N 1.296 121.208 119.914 -0.002 0.000 2.252 237 V HA -0.256 3.864 4.120 -0.000 0.000 0.249 237 V C 2.747 178.836 176.094 -0.008 0.000 1.056 237 V CA 2.442 64.740 62.300 -0.004 0.000 1.022 237 V CB -1.110 30.712 31.823 -0.001 0.000 0.641 237 V HN 0.779 nan 8.190 nan 0.000 0.445 238 S N 0.147 115.841 115.700 -0.010 0.000 2.660 238 S HA 0.202 4.672 4.470 -0.000 0.000 0.223 238 S C 1.604 176.193 174.600 -0.019 0.000 0.963 238 S CA 0.737 58.928 58.200 -0.015 0.000 0.932 238 S CB 0.000 63.190 63.200 -0.018 0.000 0.775 238 S HN 0.553 nan 8.310 nan 0.000 0.531 239 A N 1.592 124.404 122.820 -0.014 0.000 1.997 239 A HA 0.392 4.712 4.320 -0.000 0.000 0.212 239 A C 2.136 179.711 177.584 -0.014 0.000 1.178 239 A CA 0.491 52.520 52.037 -0.015 0.000 0.698 239 A CB -0.365 18.628 19.000 -0.011 0.000 0.842 239 A HN 0.556 nan 8.150 nan 0.000 0.458 240 M N -0.435 119.159 119.600 -0.011 0.000 2.160 240 M HA 0.071 4.551 4.480 -0.000 0.000 0.264 240 M C 1.977 178.270 176.300 -0.011 0.000 1.073 240 M CA 1.219 56.513 55.300 -0.009 0.000 1.142 240 M CB -0.466 32.130 32.600 -0.006 0.000 1.358 240 M HN 0.290 nan 8.290 nan 0.000 0.422 241 L N -0.646 120.569 121.223 -0.013 0.000 2.068 241 L HA 0.130 4.470 4.340 -0.000 0.000 0.204 241 L C 1.300 178.157 176.870 -0.022 0.000 1.076 241 L CA 1.050 55.882 54.840 -0.014 0.000 0.753 241 L CB -0.532 41.520 42.059 -0.012 0.000 0.910 241 L HN 0.614 nan 8.230 nan 0.000 0.439 242 G N -0.039 108.745 108.800 -0.028 0.000 2.223 242 G HA2 -0.126 3.834 3.960 -0.000 0.000 0.200 242 G HA3 -0.126 3.834 3.960 -0.000 0.000 0.200 242 G C -0.069 174.802 174.900 -0.049 0.000 1.061 242 G CA -0.402 44.673 45.100 -0.042 0.000 0.790 242 G HN 0.124 nan 8.290 nan 0.000 0.498 243 T N 1.388 115.920 114.554 -0.038 0.000 2.889 243 T HA 0.458 4.808 4.350 -0.000 0.000 0.291 243 T C 1.986 176.660 174.700 -0.044 0.000 0.995 243 T CA -0.358 61.719 62.100 -0.039 0.000 1.092 243 T CB 1.733 70.586 68.868 -0.024 0.000 0.954 243 T HN 0.148 nan 8.240 nan 0.000 0.506 244 L N 1.269 122.460 121.223 -0.052 0.000 2.083 244 L HA -0.070 4.270 4.340 -0.000 0.000 0.209 244 L C 1.673 178.522 176.870 -0.035 0.000 1.083 244 L CA 1.094 55.902 54.840 -0.054 0.000 0.752 244 L CB -0.498 41.524 42.059 -0.061 0.000 0.899 244 L HN 0.803 nan 8.230 nan 0.000 0.433 245 D N -0.650 119.735 120.400 -0.026 0.000 3.041 245 D HA -0.175 4.465 4.640 -0.000 0.000 0.220 245 D C -0.507 175.784 176.300 -0.015 0.000 1.157 245 D CA 0.742 54.731 54.000 -0.017 0.000 0.876 245 D CB -0.771 40.019 40.800 -0.017 0.000 1.107 245 D HN 0.385 nan 8.370 nan 0.000 0.422 246 D N -0.497 119.893 120.400 -0.017 0.000 2.490 246 D HA 0.208 4.848 4.640 -0.000 0.000 0.232 246 D C 0.432 176.727 176.300 -0.007 0.000 1.053 246 D CA -0.572 53.420 54.000 -0.013 0.000 0.914 246 D CB 0.966 41.756 40.800 -0.017 0.000 1.431 246 D HN -0.144 nan 8.370 nan 0.000 0.483 247 D N 0.597 120.996 120.400 -0.003 0.000 2.379 247 D HA -0.085 4.555 4.640 -0.000 0.000 0.243 247 D C 1.748 178.050 176.300 0.004 0.000 1.088 247 D CA 0.502 54.503 54.000 0.002 0.000 0.925 247 D CB 0.171 40.973 40.800 0.002 0.000 0.888 247 D HN 0.411 nan 8.370 nan 0.000 0.529 248 Q N 0.609 120.409 119.800 0.000 0.000 2.077 248 Q HA -0.206 4.134 4.340 -0.000 0.000 0.206 248 Q C 2.190 178.199 176.000 0.015 0.000 0.989 248 Q CA 1.652 57.458 55.803 0.006 0.000 0.853 248 Q CB -0.408 28.329 28.738 -0.003 0.000 0.907 248 Q HN 0.277 nan 8.270 nan 0.000 0.418 249 A N 1.371 124.200 122.820 0.014 0.000 1.908 249 A HA -0.172 4.148 4.320 -0.000 0.000 0.218 249 A C 2.136 179.732 177.584 0.020 0.000 1.181 249 A CA 1.460 53.511 52.037 0.023 0.000 0.627 249 A CB -0.610 18.404 19.000 0.022 0.000 0.818 249 A HN 0.334 nan 8.150 nan 0.000 0.445 250 L N 0.716 121.948 121.223 0.015 0.000 2.005 250 L HA -0.116 4.224 4.340 -0.000 0.000 0.207 250 L C 2.729 179.602 176.870 0.006 0.000 1.072 250 L CA 2.813 57.660 54.840 0.011 0.000 0.744 250 L CB -0.710 41.356 42.059 0.011 0.000 0.895 250 L HN 0.448 nan 8.230 nan 0.000 0.433 251 S N -0.874 114.831 115.700 0.007 0.000 2.419 251 S HA -0.204 4.266 4.470 -0.000 0.000 0.233 251 S C 2.099 176.702 174.600 0.006 0.000 1.016 251 S CA 1.454 59.658 58.200 0.006 0.000 0.974 251 S CB -0.937 62.268 63.200 0.008 0.000 0.786 251 S HN 0.477 nan 8.310 nan 0.000 0.492 252 L N 0.784 122.015 121.223 0.013 0.000 2.056 252 L HA -0.049 4.291 4.340 -0.000 0.000 0.207 252 L C 2.618 179.485 176.870 -0.004 0.000 1.078 252 L CA 1.022 55.873 54.840 0.018 0.000 0.749 252 L CB -0.410 41.672 42.059 0.037 0.000 0.901 252 L HN 0.251 nan 8.230 nan 0.000 0.433 253 V N -0.078 119.827 119.914 -0.015 0.000 2.343 253 V HA -0.283 3.837 4.120 -0.000 0.000 0.247 253 V C 2.318 178.368 176.094 -0.073 0.000 1.051 253 V CA 1.817 64.084 62.300 -0.055 0.000 1.036 253 V CB -0.334 31.467 31.823 -0.036 0.000 0.654 253 V HN 0.486 nan 8.190 nan 0.000 0.451 254 E N 0.122 120.300 120.200 -0.036 0.000 2.077 254 E HA -0.216 4.134 4.350 -0.000 0.000 0.193 254 E C 2.305 178.890 176.600 -0.024 0.000 0.989 254 E CA 1.368 57.751 56.400 -0.028 0.000 0.800 254 E CB -0.342 29.352 29.700 -0.011 0.000 0.746 254 E HN 0.618 nan 8.360 nan 0.000 0.452 255 A N 1.906 124.716 122.820 -0.016 0.000 1.845 255 A HA -0.218 4.102 4.320 -0.000 0.000 0.215 255 A C 2.207 179.785 177.584 -0.009 0.000 1.195 255 A CA 1.610 53.642 52.037 -0.008 0.000 0.616 255 A CB -0.672 18.328 19.000 0.000 0.000 0.832 255 A HN 0.278 nan 8.150 nan 0.000 0.443 256 M N 0.292 119.881 119.600 -0.020 0.000 2.103 256 M HA -0.193 4.287 4.480 -0.000 0.000 0.255 256 M C 1.713 178.018 176.300 0.007 0.000 1.074 256 M CA 2.612 57.903 55.300 -0.014 0.000 1.090 256 M CB -0.376 32.181 32.600 -0.071 0.000 1.325 256 M HN 0.211 nan 8.290 nan 0.000 0.403 257 V N 0.116 119.978 119.914 -0.088 0.000 3.141 257 V HA -0.148 3.972 4.120 -0.000 0.000 0.265 257 V C 1.562 177.813 176.094 0.261 0.000 1.126 257 V CA 1.529 63.834 62.300 0.008 0.000 1.141 257 V CB -0.979 30.747 31.823 -0.161 0.000 0.743 257 V HN 0.534 nan 8.190 nan 0.000 0.492 258 E N 0.259 120.508 120.200 0.083 0.000 2.452 258 E HA 0.449 4.799 4.350 -0.000 0.000 0.197 258 E C 1.045 177.565 176.600 -0.132 0.000 1.022 258 E CA 0.502 56.911 56.400 0.015 0.000 0.890 258 E CB 0.337 30.037 29.700 0.000 0.000 0.918 258 E HN 0.475 nan 8.360 nan 0.000 0.496 259 A N 2.287 125.031 122.820 -0.127 0.000 2.917 259 A HA -0.173 4.147 4.320 -0.000 0.000 0.286 259 A C 0.873 178.401 177.584 -0.094 0.000 1.435 259 A CA 0.671 52.602 52.037 -0.176 0.000 0.737 259 A CB -2.351 16.396 19.000 -0.421 0.000 1.049 259 A HN 0.326 nan 8.150 nan 0.000 0.483 260 N N 0.203 118.876 118.700 -0.044 0.000 2.422 260 N HA 0.104 4.844 4.740 -0.000 0.000 0.181 260 N C 1.915 177.414 175.510 -0.019 0.000 1.080 260 N CA 1.838 54.870 53.050 -0.030 0.000 0.893 260 N CB -0.414 38.062 38.487 -0.017 0.000 0.973 260 N HN 1.541 nan 8.380 nan 0.000 0.456 261 G N 2.034 110.827 108.800 -0.012 0.000 3.412 261 G HA2 -0.526 3.434 3.960 -0.000 0.000 0.385 261 G HA3 -0.526 3.434 3.960 -0.000 0.000 0.385 261 G C 1.116 176.015 174.900 -0.002 0.000 2.040 261 G CA 1.776 46.873 45.100 -0.005 0.000 2.281 261 G HN 0.561 nan 8.290 nan 0.000 0.917 262 E N 0.565 120.761 120.200 -0.006 0.000 2.136 262 E HA -0.264 4.086 4.350 -0.000 0.000 0.208 262 E C 2.441 179.043 176.600 0.004 0.000 1.035 262 E CA 2.561 58.959 56.400 -0.003 0.000 0.838 262 E CB -0.434 29.262 29.700 -0.006 0.000 0.748 262 E HN 0.701 nan 8.360 nan 0.000 0.459 263 R N -0.618 119.884 120.500 0.003 0.000 2.119 263 R HA -0.000 4.340 4.340 -0.000 0.000 0.222 263 R C 2.205 178.515 176.300 0.017 0.000 1.088 263 R CA 1.016 57.121 56.100 0.009 0.000 0.984 263 R CB 0.034 30.337 30.300 0.005 0.000 0.884 263 R HN 0.186 nan 8.270 nan 0.000 0.447 264 V N 1.043 120.966 119.914 0.015 0.000 2.270 264 V HA -0.259 3.861 4.120 -0.000 0.000 0.245 264 V C 2.344 178.457 176.094 0.031 0.000 1.043 264 V CA 1.488 63.803 62.300 0.025 0.000 1.014 264 V CB -0.339 31.497 31.823 0.023 0.000 0.645 264 V HN 0.314 nan 8.190 nan 0.000 0.447 265 M N 0.071 119.684 119.600 0.021 0.000 2.213 265 M HA -0.070 4.410 4.480 -0.000 0.000 0.263 265 M C 2.270 178.589 176.300 0.032 0.000 1.062 265 M CA 1.816 57.127 55.300 0.020 0.000 1.105 265 M CB -1.769 30.835 32.600 0.006 0.000 1.385 265 M HN 0.401 nan 8.290 nan 0.000 0.417 266 A N 0.399 123.237 122.820 0.029 0.000 1.841 266 A HA -0.111 4.209 4.320 -0.000 0.000 0.214 266 A C 2.340 179.953 177.584 0.049 0.000 1.195 266 A CA 1.316 53.373 52.037 0.033 0.000 0.611 266 A CB -1.000 18.014 19.000 0.023 0.000 0.835 266 A HN 0.439 nan 8.150 nan 0.000 0.443 267 L N -0.364 120.888 121.223 0.050 0.000 2.043 267 L HA -0.239 4.101 4.340 -0.000 0.000 0.212 267 L C 2.481 179.415 176.870 0.106 0.000 1.075 267 L CA 1.445 56.323 54.840 0.062 0.000 0.752 267 L CB -0.548 41.543 42.059 0.053 0.000 0.891 267 L HN 0.412 nan 8.230 nan 0.000 0.432 268 I N -0.289 120.359 120.570 0.129 0.000 2.264 268 I HA -0.307 3.863 4.170 -0.000 0.000 0.248 268 I C 2.359 178.645 176.117 0.281 0.000 1.111 268 I CA 1.176 62.613 61.300 0.229 0.000 1.382 268 I CB -0.393 37.682 38.000 0.125 0.000 1.060 268 I HN 0.383 nan 8.210 nan 0.000 0.418 269 N N 1.050 119.846 118.700 0.159 0.000 2.135 269 N HA -0.221 4.519 4.740 -0.000 0.000 0.186 269 N C 1.797 177.379 175.510 0.120 0.000 1.027 269 N CA 1.556 54.689 53.050 0.137 0.000 0.849 269 N CB -0.099 38.434 38.487 0.077 0.000 1.002 269 N HN 0.327 nan 8.380 nan 0.000 0.425 270 E N -0.212 120.038 120.200 0.083 0.000 2.077 270 E HA -0.149 4.201 4.350 -0.000 0.000 0.193 270 E C 1.770 178.394 176.600 0.040 0.000 0.989 270 E CA 1.096 57.526 56.400 0.050 0.000 0.800 270 E CB -0.193 29.528 29.700 0.035 0.000 0.746 270 E HN 0.422 nan 8.360 nan 0.000 0.452 271 A N 1.412 124.266 122.820 0.058 0.000 1.873 271 A HA -0.218 4.102 4.320 -0.000 0.000 0.218 271 A C 2.458 179.993 177.584 -0.082 0.000 1.193 271 A CA 2.264 54.292 52.037 -0.016 0.000 0.629 271 A CB -1.077 17.941 19.000 0.030 0.000 0.826 271 A HN 0.434 nan 8.150 nan 0.000 0.447 272 A N -0.289 122.595 122.820 0.106 0.000 1.948 272 A HA 0.081 4.401 4.320 -0.000 0.000 0.220 272 A C 2.477 180.095 177.584 0.057 0.000 1.177 272 A CA 2.338 54.480 52.037 0.175 0.000 0.636 272 A CB -1.056 18.226 19.000 0.470 0.000 0.815 272 A HN 1.248 nan 8.150 nan 0.000 0.449 273 A N -0.366 122.484 122.820 0.051 0.000 2.070 273 A HA -0.124 4.196 4.320 -0.000 0.000 0.220 273 A C 2.001 179.577 177.584 -0.012 0.000 1.159 273 A CA 1.341 53.393 52.037 0.025 0.000 0.656 273 A CB -0.349 18.668 19.000 0.027 0.000 0.800 273 A HN 0.577 nan 8.150 nan 0.000 0.453 274 R N -0.880 119.592 120.500 -0.047 0.000 2.426 274 R HA 0.285 4.625 4.340 -0.000 0.000 0.263 274 R C 0.859 177.096 176.300 -0.105 0.000 0.961 274 R CA 0.333 56.393 56.100 -0.067 0.000 1.086 274 R CB -0.152 30.105 30.300 -0.071 0.000 1.186 274 R HN 0.511 nan 8.270 nan 0.000 0.537 275 G N 2.392 111.121 108.800 -0.118 0.000 2.371 275 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.299 275 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.299 275 G C 0.174 174.920 174.900 -0.256 0.000 1.014 275 G CA 0.004 45.011 45.100 -0.153 0.000 1.097 275 G HN 0.301 nan 8.290 nan 0.000 0.512 276 I N -0.274 120.029 120.570 -0.446 0.000 2.823 276 I HA 0.210 4.380 4.170 -0.000 0.000 0.290 276 I C 0.435 176.194 176.117 -0.598 0.000 1.091 276 I CA -0.558 60.437 61.300 -0.508 0.000 1.365 276 I CB 0.685 38.276 38.000 -0.681 0.000 1.427 276 I HN 0.116 nan 8.210 nan 0.000 0.583 277 E N 4.193 124.174 120.200 -0.365 0.000 1.963 277 E HA 0.029 4.379 4.350 -0.000 0.000 0.274 277 E C 0.116 176.610 176.600 -0.177 0.000 1.061 277 E CA -0.171 56.094 56.400 -0.225 0.000 0.847 277 E CB 0.227 29.868 29.700 -0.098 0.000 1.083 277 E HN 0.573 nan 8.360 nan 0.000 0.402 278 W N 2.088 123.392 121.300 0.006 0.000 2.308 278 W HA -0.247 4.413 4.660 -0.000 0.000 0.301 278 W C 2.091 178.613 176.519 0.004 0.000 1.220 278 W CA 1.272 58.620 57.345 0.006 0.000 1.240 278 W CB -0.011 29.454 29.460 0.009 0.000 1.142 278 W HN 0.566 nan 8.180 nan 0.000 0.521 279 E N 0.304 120.626 120.200 0.203 0.000 2.107 279 E HA -0.147 4.203 4.350 -0.000 0.000 0.191 279 E C 2.310 178.953 176.600 0.073 0.000 0.982 279 E CA 1.160 57.633 56.400 0.122 0.000 0.809 279 E CB -0.267 29.485 29.700 0.086 0.000 0.756 279 E HN 0.159 nan 8.360 nan 0.000 0.459 280 A N 1.004 123.848 122.820 0.041 0.000 1.972 280 A HA -0.162 4.158 4.320 -0.000 0.000 0.219 280 A C 2.106 179.700 177.584 0.017 0.000 1.169 280 A CA 1.244 53.288 52.037 0.011 0.000 0.635 280 A CB -0.570 18.417 19.000 -0.021 0.000 0.810 280 A HN 0.400 nan 8.150 nan 0.000 0.446 281 L N -0.436 120.806 121.223 0.032 0.000 2.056 281 L HA -0.035 4.305 4.340 -0.000 0.000 0.207 281 L C 2.170 179.082 176.870 0.069 0.000 1.078 281 L CA 1.591 56.461 54.840 0.050 0.000 0.749 281 L CB -0.463 41.654 42.059 0.097 0.000 0.901 281 L HN 0.372 nan 8.230 nan 0.000 0.433 282 L N -1.535 119.741 121.223 0.087 0.000 2.093 282 L HA -0.162 4.178 4.340 -0.000 0.000 0.208 282 L C 2.422 179.305 176.870 0.022 0.000 1.085 282 L CA 0.798 55.672 54.840 0.058 0.000 0.755 282 L CB -0.448 41.645 42.059 0.057 0.000 0.904 282 L HN 0.138 nan 8.230 nan 0.000 0.435 283 V N -0.405 119.523 119.914 0.022 0.000 2.427 283 V HA -0.218 3.902 4.120 -0.000 0.000 0.248 283 V C 2.492 178.598 176.094 0.020 0.000 1.051 283 V CA 1.468 63.773 62.300 0.009 0.000 1.048 283 V CB -0.397 31.433 31.823 0.011 0.000 0.666 283 V HN 0.429 nan 8.190 nan 0.000 0.456 284 E N -0.380 119.835 120.200 0.026 0.000 2.072 284 E HA -0.176 4.174 4.350 -0.000 0.000 0.191 284 E C 2.221 178.848 176.600 0.045 0.000 0.985 284 E CA 1.294 57.713 56.400 0.032 0.000 0.801 284 E CB -0.331 29.383 29.700 0.024 0.000 0.750 284 E HN 0.533 nan 8.360 nan 0.000 0.452 285 M N 0.321 119.945 119.600 0.041 0.000 2.108 285 M HA -0.150 4.330 4.480 -0.000 0.000 0.261 285 M C 2.458 178.799 176.300 0.069 0.000 1.066 285 M CA 1.211 56.540 55.300 0.048 0.000 1.107 285 M CB -0.340 32.284 32.600 0.039 0.000 1.356 285 M HN 0.076 nan 8.290 nan 0.000 0.406 286 L N -0.695 120.553 121.223 0.042 0.000 2.056 286 L HA -0.122 4.218 4.340 -0.000 0.000 0.207 286 L C 2.668 179.669 176.870 0.218 0.000 1.078 286 L CA 1.334 56.207 54.840 0.055 0.000 0.749 286 L CB -1.125 40.868 42.059 -0.109 0.000 0.901 286 L HN 0.391 nan 8.230 nan 0.000 0.433 287 G N -0.171 108.712 108.800 0.138 0.000 2.422 287 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.218 287 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.218 287 G C 1.623 176.639 174.900 0.194 0.000 1.146 287 G CA 0.406 45.595 45.100 0.148 0.000 0.769 287 G HN 0.206 nan 8.290 nan 0.000 0.547 288 L N -0.247 121.062 121.223 0.143 0.000 2.056 288 L HA 0.073 4.412 4.340 -0.000 0.000 0.207 288 L C 2.846 179.801 176.870 0.140 0.000 1.078 288 L CA 0.454 55.366 54.840 0.119 0.000 0.749 288 L CB -0.396 41.708 42.059 0.075 0.000 0.901 288 L HN 0.157 nan 8.230 nan 0.000 0.433 289 L N -0.637 120.695 121.223 0.182 0.000 2.187 289 L HA -0.271 4.069 4.340 -0.000 0.000 0.213 289 L C 2.603 179.592 176.870 0.198 0.000 1.100 289 L CA 1.232 56.196 54.840 0.206 0.000 0.765 289 L CB -0.441 41.798 42.059 0.300 0.000 0.904 289 L HN 0.417 nan 8.230 nan 0.000 0.437 290 H N -0.283 118.872 119.070 0.141 0.000 2.284 290 H HA -0.083 4.473 4.556 -0.000 0.000 0.304 290 H C 2.449 177.789 175.328 0.019 0.000 1.069 290 H CA 1.358 57.432 56.048 0.043 0.000 1.327 290 H CB 0.086 29.894 29.762 0.077 0.000 1.387 290 H HN 0.002 nan 8.280 nan 0.000 0.498 291 R N 0.298 120.805 120.500 0.011 0.000 2.103 291 R HA -0.145 4.195 4.340 -0.000 0.000 0.242 291 R C 2.478 178.716 176.300 -0.104 0.000 1.142 291 R CA 1.818 57.878 56.100 -0.066 0.000 0.960 291 R CB -0.421 29.927 30.300 0.081 0.000 0.858 291 R HN 0.460 nan 8.270 nan 0.000 0.439 292 I N 0.540 121.088 120.570 -0.038 0.000 2.118 292 I HA -0.311 3.859 4.170 -0.000 0.000 0.241 292 I C 2.611 178.689 176.117 -0.066 0.000 1.070 292 I CA 1.601 62.883 61.300 -0.029 0.000 1.327 292 I CB -0.666 37.340 38.000 0.009 0.000 1.034 292 I HN 0.206 nan 8.210 nan 0.000 0.405 293 A N 0.456 123.217 122.820 -0.099 0.000 2.019 293 A HA -0.193 4.127 4.320 -0.000 0.000 0.219 293 A C 2.329 179.821 177.584 -0.154 0.000 1.164 293 A CA 1.424 53.390 52.037 -0.118 0.000 0.644 293 A CB -0.393 18.523 19.000 -0.141 0.000 0.805 293 A HN 0.330 nan 8.150 nan 0.000 0.449 294 M N -0.621 118.842 119.600 -0.229 0.000 2.200 294 M HA -0.066 4.414 4.480 -0.000 0.000 0.265 294 M C 2.135 178.374 176.300 -0.100 0.000 1.066 294 M CA 1.155 56.341 55.300 -0.191 0.000 1.127 294 M CB -1.090 31.366 32.600 -0.240 0.000 1.379 294 M HN 0.251 nan 8.290 nan 0.000 0.420 295 V N 0.416 120.281 119.914 -0.081 0.000 2.515 295 V HA -0.239 3.881 4.120 -0.000 0.000 0.250 295 V C 2.222 178.294 176.094 -0.036 0.000 1.058 295 V CA 1.411 63.685 62.300 -0.044 0.000 1.064 295 V CB -0.896 30.910 31.823 -0.028 0.000 0.675 295 V HN 0.533 nan 8.190 nan 0.000 0.461 296 Q N -0.890 118.885 119.800 -0.043 0.000 2.369 296 Q HA -0.090 4.250 4.340 -0.000 0.000 0.206 296 Q C 2.073 178.054 176.000 -0.033 0.000 0.963 296 Q CA 0.977 56.761 55.803 -0.032 0.000 0.894 296 Q CB -0.022 28.698 28.738 -0.030 0.000 0.965 296 Q HN 0.504 nan 8.270 nan 0.000 0.475 297 L N -0.443 120.754 121.223 -0.044 0.000 2.253 297 L HA 0.081 4.421 4.340 -0.000 0.000 0.205 297 L C 0.075 176.928 176.870 -0.028 0.000 1.078 297 L CA 0.918 55.736 54.840 -0.038 0.000 0.805 297 L CB 0.713 42.743 42.059 -0.049 0.000 0.963 297 L HN -0.064 nan 8.230 nan 0.000 0.459 298 S N -0.677 115.006 115.700 -0.029 0.000 2.673 298 S HA 0.396 4.866 4.470 -0.000 0.000 0.256 298 S C -2.029 172.561 174.600 -0.018 0.000 1.141 298 S CA -0.900 57.289 58.200 -0.019 0.000 1.109 298 S CB 1.080 64.270 63.200 -0.016 0.000 1.101 298 S HN 0.087 nan 8.310 nan 0.000 0.471 299 P HA -0.113 nan 4.420 nan 0.000 0.231 299 P C 0.977 178.274 177.300 -0.005 0.000 1.154 299 P CA 1.013 64.107 63.100 -0.009 0.000 0.762 299 P CB -0.081 31.615 31.700 -0.006 0.000 0.790 300 A N -0.376 122.442 122.820 -0.003 0.000 2.275 300 A HA 0.422 4.742 4.320 -0.000 0.000 0.212 300 A C 2.285 179.871 177.584 0.005 0.000 1.201 300 A CA 0.625 52.663 52.037 0.002 0.000 0.843 300 A CB -0.692 18.311 19.000 0.005 0.000 0.873 300 A HN 0.205 nan 8.150 nan 0.000 0.492 301 A N -0.140 122.679 122.820 -0.002 0.000 2.076 301 A HA 0.069 4.389 4.320 -0.000 0.000 0.220 301 A C 1.056 178.647 177.584 0.011 0.000 1.160 301 A CA 0.438 52.475 52.037 0.000 0.000 0.653 301 A CB -0.487 18.498 19.000 -0.024 0.000 0.801 301 A HN 0.451 nan 8.150 nan 0.000 0.455 302 L N 0.582 121.811 121.223 0.009 0.000 2.500 302 L HA 0.198 4.538 4.340 -0.000 0.000 0.272 302 L C 1.445 178.329 176.870 0.023 0.000 1.149 302 L CA -0.316 54.534 54.840 0.017 0.000 0.897 302 L CB 0.548 42.615 42.059 0.013 0.000 1.178 302 L HN 0.403 nan 8.230 nan 0.000 0.473 303 G N 3.472 112.291 108.800 0.031 0.000 2.803 303 G HA2 -0.013 3.947 3.960 -0.000 0.000 0.177 303 G HA3 -0.013 3.947 3.960 -0.000 0.000 0.177 303 G C 0.839 175.757 174.900 0.029 0.000 1.629 303 G CA -0.164 44.956 45.100 0.034 0.000 1.077 303 G HN 0.645 nan 8.290 nan 0.000 0.556 304 N N 0.332 119.052 118.700 0.033 0.000 2.143 304 N HA -0.073 4.667 4.740 -0.000 0.000 0.190 304 N C 1.453 176.976 175.510 0.023 0.000 1.058 304 N CA 1.127 54.195 53.050 0.030 0.000 0.860 304 N CB -0.467 38.043 38.487 0.038 0.000 1.044 304 N HN 0.310 nan 8.380 nan 0.000 0.445 305 D N 0.449 120.864 120.400 0.025 0.000 2.349 305 D HA 0.069 4.709 4.640 -0.000 0.000 0.224 305 D C 1.368 177.677 176.300 0.016 0.000 1.029 305 D CA -0.000 54.009 54.000 0.016 0.000 0.879 305 D CB -0.097 40.712 40.800 0.016 0.000 0.906 305 D HN 0.119 nan 8.370 nan 0.000 0.528 306 M N -0.457 119.156 119.600 0.021 0.000 2.722 306 M HA 0.078 4.558 4.480 -0.000 0.000 0.238 306 M C 1.505 177.815 176.300 0.016 0.000 1.098 306 M CA 0.205 55.517 55.300 0.021 0.000 1.062 306 M CB 0.221 32.839 32.600 0.029 0.000 1.573 306 M HN 0.017 nan 8.290 nan 0.000 0.531 307 A N -0.208 122.620 122.820 0.012 0.000 2.067 307 A HA 0.025 4.345 4.320 -0.000 0.000 0.219 307 A C 2.237 179.825 177.584 0.006 0.000 1.158 307 A CA 1.443 53.485 52.037 0.009 0.000 0.661 307 A CB -0.756 18.247 19.000 0.006 0.000 0.801 307 A HN 0.615 nan 8.150 nan 0.000 0.452 308 A N -0.111 122.712 122.820 0.006 0.000 1.972 308 A HA -0.014 4.306 4.320 -0.000 0.000 0.219 308 A C 1.974 179.561 177.584 0.006 0.000 1.169 308 A CA 1.545 53.585 52.037 0.004 0.000 0.635 308 A CB -0.441 18.561 19.000 0.003 0.000 0.810 308 A HN 0.521 nan 8.150 nan 0.000 0.446 309 I N -2.013 118.562 120.570 0.009 0.000 2.867 309 I HA -0.039 4.131 4.170 -0.000 0.000 0.265 309 I C 1.938 178.060 176.117 0.009 0.000 1.162 309 I CA 0.717 62.023 61.300 0.009 0.000 1.471 309 I CB -0.235 37.773 38.000 0.013 0.000 1.123 309 I HN 0.325 nan 8.210 nan 0.000 0.440 310 E N 1.213 121.418 120.200 0.009 0.000 2.722 310 E HA -0.361 3.989 4.350 -0.000 0.000 0.245 310 E C 1.930 178.534 176.600 0.007 0.000 1.004 310 E CA 2.578 58.983 56.400 0.008 0.000 1.405 310 E CB -0.486 29.218 29.700 0.007 0.000 1.325 310 E HN 0.244 nan 8.360 nan 0.000 0.479 311 L N 0.361 121.587 121.223 0.006 0.000 1.990 311 L HA -0.189 4.151 4.340 -0.000 0.000 0.213 311 L C 2.470 179.343 176.870 0.006 0.000 1.072 311 L CA 2.226 57.069 54.840 0.005 0.000 0.755 311 L CB -0.578 41.484 42.059 0.004 0.000 0.889 311 L HN 0.165 nan 8.230 nan 0.000 0.432 312 R N -1.958 118.546 120.500 0.006 0.000 2.073 312 R HA -0.160 4.180 4.340 -0.000 0.000 0.234 312 R C 2.149 178.453 176.300 0.007 0.000 1.134 312 R CA 1.396 57.500 56.100 0.006 0.000 0.952 312 R CB -0.373 29.930 30.300 0.006 0.000 0.850 312 R HN 0.288 nan 8.270 nan 0.000 0.433 313 M N 0.419 120.024 119.600 0.009 0.000 2.080 313 M HA -0.156 4.324 4.480 -0.000 0.000 0.260 313 M C 2.116 178.421 176.300 0.007 0.000 1.068 313 M CA 1.716 57.022 55.300 0.010 0.000 1.109 313 M CB -0.806 31.802 32.600 0.013 0.000 1.342 313 M HN 0.098 nan 8.290 nan 0.000 0.405 314 R N -0.424 120.080 120.500 0.006 0.000 2.115 314 R HA -0.115 4.225 4.340 -0.000 0.000 0.230 314 R C 2.055 178.358 176.300 0.006 0.000 1.111 314 R CA 0.756 56.859 56.100 0.004 0.000 0.976 314 R CB -0.187 30.116 30.300 0.004 0.000 0.870 314 R HN 0.381 nan 8.270 nan 0.000 0.445 315 E N 0.943 121.148 120.200 0.007 0.000 2.110 315 E HA -0.163 4.187 4.350 -0.000 0.000 0.193 315 E C 2.065 178.671 176.600 0.011 0.000 0.988 315 E CA 1.044 57.449 56.400 0.009 0.000 0.804 315 E CB -0.062 29.643 29.700 0.008 0.000 0.745 315 E HN 0.356 nan 8.360 nan 0.000 0.458 316 L N 0.138 121.366 121.223 0.010 0.000 2.056 316 L HA -0.125 4.215 4.340 -0.000 0.000 0.207 316 L C 2.575 179.454 176.870 0.015 0.000 1.078 316 L CA 0.990 55.837 54.840 0.012 0.000 0.749 316 L CB -0.548 41.515 42.059 0.006 0.000 0.901 316 L HN 0.047 nan 8.230 nan 0.000 0.433 317 A N 1.378 124.203 122.820 0.009 0.000 1.892 317 A HA -0.251 4.069 4.320 -0.000 0.000 0.218 317 A C 2.333 179.922 177.584 0.008 0.000 1.188 317 A CA 2.193 54.233 52.037 0.006 0.000 0.631 317 A CB -0.605 18.394 19.000 -0.002 0.000 0.822 317 A HN 0.575 nan 8.150 nan 0.000 0.447 318 R N -0.605 119.900 120.500 0.009 0.000 2.240 318 R HA -0.011 4.329 4.340 -0.000 0.000 0.203 318 R C 1.648 177.957 176.300 0.016 0.000 1.011 318 R CA 1.682 57.788 56.100 0.010 0.000 1.007 318 R CB -0.772 29.533 30.300 0.008 0.000 0.911 318 R HN 0.509 nan 8.270 nan 0.000 0.468 319 T N -1.786 112.781 114.554 0.021 0.000 3.015 319 T HA 0.306 4.656 4.350 -0.000 0.000 0.250 319 T C 0.828 175.552 174.700 0.040 0.000 1.057 319 T CA -0.221 61.897 62.100 0.029 0.000 1.066 319 T CB 0.049 68.936 68.868 0.031 0.000 0.959 319 T HN 0.082 nan 8.240 nan 0.000 0.488 320 I N 2.619 123.214 120.570 0.041 0.000 2.359 320 I HA 0.416 4.585 4.170 -0.000 0.000 0.294 320 I C -2.644 173.501 176.117 0.048 0.000 0.987 320 I CA -3.091 58.244 61.300 0.058 0.000 1.225 320 I CB 1.762 39.808 38.000 0.076 0.000 1.366 320 I HN -0.120 nan 8.210 nan 0.000 0.466 321 P HA 0.031 nan 4.420 nan 0.000 0.264 321 P C -1.938 175.373 177.300 0.019 0.000 1.193 321 P CA -0.899 62.213 63.100 0.020 0.000 0.763 321 P CB 0.131 31.834 31.700 0.006 0.000 0.810 322 P HA -0.188 nan 4.420 nan 0.000 0.216 322 P C 1.092 178.385 177.300 -0.011 0.000 1.150 322 P CA 1.845 64.944 63.100 -0.002 0.000 0.837 322 P CB -0.451 31.240 31.700 -0.015 0.000 0.786 323 T N 0.180 114.720 114.554 -0.022 0.000 2.699 323 T HA -0.167 4.183 4.350 -0.000 0.000 0.268 323 T C 1.407 176.071 174.700 -0.062 0.000 1.036 323 T CA 1.933 64.010 62.100 -0.039 0.000 1.147 323 T CB -0.865 67.980 68.868 -0.038 0.000 0.862 323 T HN 0.154 nan 8.240 nan 0.000 0.446 324 D N 0.670 121.032 120.400 -0.063 0.000 2.123 324 D HA 0.094 4.734 4.640 -0.000 0.000 0.200 324 D C 2.094 178.351 176.300 -0.072 0.000 0.976 324 D CA 0.461 54.377 54.000 -0.141 0.000 0.831 324 D CB -0.378 40.365 40.800 -0.095 0.000 0.974 324 D HN 0.330 nan 8.370 nan 0.000 0.469 325 I N 0.997 121.617 120.570 0.084 0.000 2.423 325 I HA -0.268 3.902 4.170 -0.000 0.000 0.254 325 I C 2.272 178.478 176.117 0.148 0.000 1.151 325 I CA 0.907 62.323 61.300 0.194 0.000 1.421 325 I CB 0.037 38.110 38.000 0.121 0.000 1.079 325 I HN -0.011 nan 8.210 nan 0.000 0.431 326 Q N -0.001 119.824 119.800 0.042 0.000 2.049 326 Q HA -0.175 4.165 4.340 -0.000 0.000 0.198 326 Q C 2.265 178.300 176.000 0.058 0.000 0.971 326 Q CA 1.298 57.121 55.803 0.034 0.000 0.833 326 Q CB -0.702 28.022 28.738 -0.024 0.000 0.896 326 Q HN 0.435 nan 8.270 nan 0.000 0.434 327 L N 0.161 121.346 121.223 -0.063 0.000 1.997 327 L HA -0.253 4.087 4.340 -0.000 0.000 0.216 327 L C 2.162 178.960 176.870 -0.121 0.000 1.074 327 L CA 1.843 56.590 54.840 -0.155 0.000 0.763 327 L CB -0.762 41.107 42.059 -0.316 0.000 0.890 327 L HN 0.101 nan 8.230 nan 0.000 0.434 328 Y N -1.549 118.785 120.300 0.057 0.000 2.181 328 Y HA -0.286 4.264 4.550 -0.000 0.000 0.288 328 Y C 2.502 178.456 175.900 0.091 0.000 1.146 328 Y CA 2.063 60.202 58.100 0.065 0.000 1.164 328 Y CB -1.204 37.294 38.460 0.062 0.000 0.982 328 Y HN 0.354 nan 8.280 nan 0.000 0.515 329 Y N 0.694 121.088 120.300 0.156 0.000 2.145 329 Y HA -0.337 4.213 4.550 -0.000 0.000 0.286 329 Y C 2.676 178.613 175.900 0.061 0.000 1.145 329 Y CA 2.192 60.355 58.100 0.104 0.000 1.148 329 Y CB -0.503 38.009 38.460 0.086 0.000 0.981 329 Y HN 0.169 nan 8.280 nan 0.000 0.507 330 Q N -0.632 119.312 119.800 0.240 0.000 2.030 330 Q HA -0.211 4.129 4.340 -0.000 0.000 0.204 330 Q C 2.164 178.162 176.000 -0.004 0.000 0.986 330 Q CA 2.690 58.562 55.803 0.115 0.000 0.843 330 Q CB -0.305 28.481 28.738 0.080 0.000 0.904 330 Q HN 0.460 nan 8.270 nan 0.000 0.420 331 T N 1.272 115.827 114.554 0.001 0.000 2.759 331 T HA -0.143 4.207 4.350 -0.000 0.000 0.269 331 T C 1.688 176.383 174.700 -0.009 0.000 1.042 331 T CA 1.143 63.237 62.100 -0.009 0.000 1.140 331 T CB -0.125 68.758 68.868 0.025 0.000 0.864 331 T HN 0.237 nan 8.240 nan 0.000 0.455 332 L N 0.276 121.488 121.223 -0.019 0.000 2.095 332 L HA 0.033 4.373 4.340 -0.000 0.000 0.204 332 L C 2.543 179.349 176.870 -0.108 0.000 1.080 332 L CA 0.520 55.331 54.840 -0.049 0.000 0.759 332 L CB -0.625 41.401 42.059 -0.055 0.000 0.914 332 L HN 0.243 nan 8.230 nan 0.000 0.439 333 L N 0.868 121.971 121.223 -0.200 0.000 1.971 333 L HA -0.270 4.070 4.340 -0.000 0.000 0.215 333 L C 2.569 179.387 176.870 -0.085 0.000 1.072 333 L CA 2.121 56.843 54.840 -0.196 0.000 0.758 333 L CB -0.719 41.204 42.059 -0.226 0.000 0.889 333 L HN 0.186 nan 8.230 nan 0.000 0.433 334 I N -0.055 120.477 120.570 -0.064 0.000 2.145 334 I HA -0.325 3.845 4.170 -0.000 0.000 0.244 334 I C 2.598 178.693 176.117 -0.036 0.000 1.075 334 I CA 1.576 62.849 61.300 -0.045 0.000 1.332 334 I CB -1.114 36.855 38.000 -0.053 0.000 1.033 334 I HN 0.410 nan 8.210 nan 0.000 0.410 335 G N 0.425 109.204 108.800 -0.034 0.000 2.503 335 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.221 335 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.221 335 G C 1.784 176.683 174.900 -0.002 0.000 1.131 335 G CA 0.984 46.073 45.100 -0.018 0.000 0.756 335 G HN 0.350 nan 8.290 nan 0.000 0.572 336 R N 1.120 121.615 120.500 -0.008 0.000 2.092 336 R HA -0.079 4.261 4.340 -0.000 0.000 0.231 336 R C 2.592 178.914 176.300 0.037 0.000 1.119 336 R CA 1.788 57.895 56.100 0.012 0.000 0.970 336 R CB -0.217 30.079 30.300 -0.008 0.000 0.864 336 R HN 0.527 nan 8.270 nan 0.000 0.440 337 K N 0.409 120.830 120.400 0.034 0.000 2.025 337 K HA -0.111 4.209 4.320 -0.000 0.000 0.207 337 K C 1.408 178.104 176.600 0.160 0.000 1.049 337 K CA 1.818 58.152 56.287 0.078 0.000 0.933 337 K CB -0.153 32.384 32.500 0.061 0.000 0.714 337 K HN 0.180 nan 8.250 nan 0.000 0.438 338 E N 0.621 120.880 120.200 0.098 0.000 2.478 338 E HA -0.097 4.253 4.350 -0.000 0.000 0.198 338 E C 1.805 178.515 176.600 0.183 0.000 1.046 338 E CA 0.226 56.701 56.400 0.124 0.000 0.870 338 E CB -0.084 29.540 29.700 -0.128 0.000 0.818 338 E HN 0.210 nan 8.360 nan 0.000 0.527 339 L N 2.062 123.352 121.223 0.113 0.000 2.051 339 L HA -0.172 4.168 4.340 -0.000 0.000 0.214 339 L C -0.687 176.237 176.870 0.090 0.000 1.076 339 L CA 2.052 56.939 54.840 0.079 0.000 0.758 339 L CB -0.780 41.318 42.059 0.065 0.000 0.890 339 L HN 0.126 nan 8.230 nan 0.000 0.433 340 P HA -0.099 nan 4.420 nan 0.000 0.255 340 P C 1.035 178.366 177.300 0.052 0.000 1.248 340 P CA 0.915 64.046 63.100 0.051 0.000 0.807 340 P CB -0.000 31.705 31.700 0.009 0.000 1.150 341 Y N 1.202 121.499 120.300 -0.005 0.000 2.337 341 Y HA 0.168 4.718 4.550 -0.000 0.000 0.293 341 Y C 1.756 177.649 175.900 -0.012 0.000 1.123 341 Y CA 0.296 58.392 58.100 -0.006 0.000 1.201 341 Y CB -0.491 37.964 38.460 -0.007 0.000 1.011 341 Y HN -0.096 nan 8.280 nan 0.000 0.545 342 A N 1.777 124.687 122.820 0.151 0.000 2.477 342 A HA 0.065 4.385 4.320 -0.000 0.000 0.246 342 A C -1.092 176.511 177.584 0.032 0.000 1.078 342 A CA -0.943 51.130 52.037 0.059 0.000 0.770 342 A CB -0.298 18.708 19.000 0.010 0.000 1.011 342 A HN 0.218 nan 8.150 nan 0.000 0.494 343 P HA -0.118 nan 4.420 nan 0.000 0.218 343 P C 0.008 177.305 177.300 -0.004 0.000 1.146 343 P CA 1.515 64.619 63.100 0.006 0.000 0.813 343 P CB 0.174 31.873 31.700 -0.001 0.000 0.778 344 D N -1.863 118.523 120.400 -0.024 0.000 2.927 344 D HA 0.140 4.780 4.640 -0.000 0.000 0.219 344 D C 0.846 177.095 176.300 -0.085 0.000 1.248 344 D CA -0.677 53.300 54.000 -0.038 0.000 0.861 344 D CB 1.445 42.213 40.800 -0.053 0.000 1.677 344 D HN -0.304 nan 8.370 nan 0.000 0.511 345 R N 1.381 121.843 120.500 -0.064 0.000 2.127 345 R HA -0.125 4.215 4.340 -0.000 0.000 0.238 345 R C 2.122 178.145 176.300 -0.463 0.000 1.134 345 R CA 1.256 57.289 56.100 -0.111 0.000 0.975 345 R CB 0.100 30.459 30.300 0.099 0.000 0.865 345 R HN 0.394 nan 8.270 nan 0.000 0.447 346 R N 0.740 120.806 120.500 -0.723 0.000 2.073 346 R HA -0.048 4.292 4.340 -0.000 0.000 0.229 346 R C 2.192 178.115 176.300 -0.629 0.000 1.120 346 R CA 1.284 56.655 56.100 -1.214 0.000 0.967 346 R CB -0.177 29.564 30.300 -0.931 0.000 0.862 346 R HN 0.167 nan 8.270 nan 0.000 0.436 347 M N 0.423 119.814 119.600 -0.347 0.000 2.358 347 M HA -0.053 4.427 4.480 -0.000 0.000 0.264 347 M C 1.678 177.870 176.300 -0.180 0.000 1.064 347 M CA 1.831 57.004 55.300 -0.211 0.000 1.093 347 M CB -0.138 32.387 32.600 -0.126 0.000 1.401 347 M HN 0.359 nan 8.290 nan 0.000 0.440 348 G N -0.309 108.373 108.800 -0.196 0.000 2.404 348 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.215 348 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.215 348 G C 1.269 176.091 174.900 -0.130 0.000 1.174 348 G CA 0.794 45.821 45.100 -0.120 0.000 0.780 348 G HN 0.371 nan 8.290 nan 0.000 0.537 349 V N 0.915 120.696 119.914 -0.222 0.000 2.515 349 V HA -0.146 3.974 4.120 -0.000 0.000 0.250 349 V C 2.661 178.676 176.094 -0.132 0.000 1.058 349 V CA 2.072 64.274 62.300 -0.164 0.000 1.064 349 V CB -0.406 31.276 31.823 -0.235 0.000 0.675 349 V HN 0.481 nan 8.190 nan 0.000 0.461 350 E N -0.559 119.530 120.200 -0.185 0.000 2.072 350 E HA -0.165 4.185 4.350 -0.000 0.000 0.191 350 E C 2.330 178.895 176.600 -0.058 0.000 0.985 350 E CA 1.124 57.458 56.400 -0.111 0.000 0.801 350 E CB -0.194 29.429 29.700 -0.128 0.000 0.750 350 E HN 0.435 nan 8.360 nan 0.000 0.452 351 M N 0.737 120.300 119.600 -0.063 0.000 2.082 351 M HA -0.161 4.319 4.480 -0.000 0.000 0.258 351 M C 2.368 178.669 176.300 0.001 0.000 1.069 351 M CA 1.634 56.916 55.300 -0.029 0.000 1.102 351 M CB -1.144 31.436 32.600 -0.034 0.000 1.336 351 M HN 0.143 nan 8.290 nan 0.000 0.404 352 T N 1.535 116.087 114.554 -0.003 0.000 2.668 352 T HA -0.070 4.280 4.350 -0.000 0.000 0.262 352 T C 2.024 176.758 174.700 0.057 0.000 1.045 352 T CA 1.148 63.264 62.100 0.026 0.000 1.152 352 T CB -0.516 68.361 68.868 0.015 0.000 0.864 352 T HN 0.316 nan 8.240 nan 0.000 0.419 353 L N 0.616 121.866 121.223 0.045 0.000 2.083 353 L HA -0.022 4.318 4.340 -0.000 0.000 0.209 353 L C 2.589 179.505 176.870 0.077 0.000 1.083 353 L CA 1.109 55.989 54.840 0.067 0.000 0.752 353 L CB -0.831 41.258 42.059 0.048 0.000 0.899 353 L HN 0.247 nan 8.230 nan 0.000 0.433 354 L N -0.332 120.921 121.223 0.048 0.000 2.201 354 L HA -0.182 4.158 4.340 -0.000 0.000 0.212 354 L C 2.806 179.720 176.870 0.072 0.000 1.105 354 L CA 0.777 55.642 54.840 0.043 0.000 0.775 354 L CB -0.407 41.660 42.059 0.012 0.000 0.913 354 L HN 0.249 nan 8.230 nan 0.000 0.440 355 R N 0.784 121.345 120.500 0.102 0.000 2.075 355 R HA -0.100 4.240 4.340 -0.000 0.000 0.232 355 R C 2.166 178.622 176.300 0.260 0.000 1.126 355 R CA 1.654 57.862 56.100 0.181 0.000 0.963 355 R CB -0.477 29.930 30.300 0.177 0.000 0.858 355 R HN 0.283 nan 8.270 nan 0.000 0.435 356 A N -0.358 122.602 122.820 0.234 0.000 2.066 356 A HA 0.011 4.331 4.320 -0.000 0.000 0.218 356 A C 1.767 179.571 177.584 0.367 0.000 1.157 356 A CA 0.726 52.956 52.037 0.321 0.000 0.670 356 A CB -0.265 18.971 19.000 0.393 0.000 0.804 356 A HN 0.262 nan 8.150 nan 0.000 0.453 357 L N -0.712 120.663 121.223 0.253 0.000 2.095 357 L HA 0.035 4.375 4.340 -0.000 0.000 0.204 357 L C 2.851 179.815 176.870 0.156 0.000 1.080 357 L CA 1.765 56.731 54.840 0.210 0.000 0.759 357 L CB -1.053 41.064 42.059 0.097 0.000 0.914 357 L HN 0.369 nan 8.230 nan 0.000 0.439 358 A N -1.118 121.738 122.820 0.061 0.000 1.840 358 A HA -0.124 4.196 4.320 -0.000 0.000 0.214 358 A C 1.447 178.975 177.584 -0.093 0.000 1.198 358 A CA 0.828 52.809 52.037 -0.094 0.000 0.608 358 A CB -1.012 17.825 19.000 -0.272 0.000 0.839 358 A HN 0.274 nan 8.150 nan 0.000 0.443 359 F N 0.536 120.526 119.950 0.067 0.000 2.668 359 F HA 0.146 4.673 4.527 -0.000 0.000 0.365 359 F C 0.506 176.315 175.800 0.015 0.000 1.165 359 F CA 0.212 58.226 58.000 0.024 0.000 1.344 359 F CB -0.572 38.420 39.000 -0.015 0.000 1.658 359 F HN 0.331 nan 8.300 nan 0.000 0.620 360 H N 2.257 121.393 119.070 0.110 0.000 2.638 360 H HA 0.275 4.831 4.556 -0.000 0.000 0.317 360 H C -2.321 173.046 175.328 0.066 0.000 1.006 360 H CA -2.458 53.649 56.048 0.099 0.000 1.222 360 H CB 1.143 30.985 29.762 0.134 0.000 1.419 360 H HN -0.028 nan 8.280 nan 0.000 0.489 361 P HA 0.051 nan 4.420 nan 0.000 0.270 361 P C -0.616 176.900 177.300 0.360 0.000 1.242 361 P CA 0.058 63.267 63.100 0.182 0.000 0.768 361 P CB 0.565 32.295 31.700 0.051 0.000 0.820 362 R N 0.369 120.990 120.500 0.202 0.000 3.390 362 R HA -0.096 4.244 4.340 -0.000 0.000 0.280 362 R C 0.129 176.453 176.300 0.040 0.000 1.126 362 R CA 0.341 56.513 56.100 0.121 0.000 0.757 362 R CB -1.974 28.398 30.300 0.120 0.000 1.296 362 R HN 0.559 nan 8.270 nan 0.000 0.431 363 M N 0.278 119.901 119.600 0.037 0.000 2.812 363 M HA 0.484 4.964 4.480 -0.000 0.000 0.285 363 M C -1.936 174.340 176.300 -0.041 0.000 1.216 363 M CA -2.159 53.102 55.300 -0.065 0.000 0.749 363 M CB 1.546 34.142 32.600 -0.007 0.000 1.756 363 M HN -0.158 nan 8.290 nan 0.000 0.439 364 P HA -0.096 nan 4.420 nan 0.000 0.261 364 P C -1.661 175.602 177.300 -0.060 0.000 1.140 364 P CA 0.989 64.055 63.100 -0.057 0.000 0.757 364 P CB -0.028 31.636 31.700 -0.060 0.000 0.735 365 L N 4.689 125.881 121.223 -0.051 0.000 2.303 365 L HA 0.614 4.954 4.340 -0.000 0.000 0.266 365 L C -1.461 175.381 176.870 -0.047 0.000 1.011 365 L CA -2.076 52.735 54.840 -0.048 0.000 0.818 365 L CB 1.700 43.740 42.059 -0.033 0.000 1.326 365 L HN 0.384 nan 8.230 nan 0.000 0.435 366 P HA 0.568 nan 4.420 nan 0.000 0.283 366 P C -1.404 175.880 177.300 -0.028 0.000 1.271 366 P CA -0.500 62.577 63.100 -0.039 0.000 0.841 366 P CB 2.188 33.864 31.700 -0.041 0.000 1.122 367 E N -0.518 119.667 120.200 -0.024 0.000 2.447 367 E HA 0.380 4.730 4.350 -0.000 0.000 0.279 367 E C -2.018 174.572 176.600 -0.016 0.000 1.053 367 E CA -1.201 55.188 56.400 -0.019 0.000 0.840 367 E CB 0.655 30.344 29.700 -0.018 0.000 1.409 367 E HN 0.575 nan 8.360 nan 0.000 0.461 368 P HA 0.000 nan 4.420 nan 0.000 0.216 368 P CA 0.000 63.093 63.100 -0.011 0.000 0.800 368 P CB 0.000 31.695 31.700 -0.009 0.000 0.726